21,715 results on '"chemical substance"'
Search Results
252. One pot synthesis of nano Ag in calcium alginate beads and its catalytic application in <scp> p ‐Nitrophenol </scp> reduction with kinetic parameter estimation and model fitting
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Chandan Kumar Pal, Supriya, Sonali Sengupta, and Jayanta Kumar Basu
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Materials science ,Chemical substance ,Calcium alginate ,General Chemical Engineering ,Kinetics ,One-pot synthesis ,Silver nanoparticle ,Catalysis ,law.invention ,chemistry.chemical_compound ,Nitrophenol ,Magazine ,Chemical engineering ,chemistry ,law - Published
- 2020
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253. Preparation and adaptive optimization of disposable all-printed urea sensor
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Jun Liu, Xiaoping Yang, Qiwen Bao, Zhenyu Liao, Yujie Zhao, Peng Pan, Meiying Fan, Zhengchun Yang, Jin Luyang, and Wang Xu
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010302 applied physics ,Detection limit ,Chemical substance ,Materials science ,Inkwell ,business.industry ,Condensed Matter Physics ,01 natural sciences ,Atomic and Molecular Physics, and Optics ,Electronic, Optical and Magnetic Materials ,Electrochemical gas sensor ,Search engine ,Linear range ,0103 physical sciences ,Electrode ,Optoelectronics ,Electrical and Electronic Engineering ,business ,Voltage - Abstract
Urea is an important molecule in physiology and industry. The detection of urea by electrochemical sensors has broad application prospects in food detection and kidney disease screening. This paper introduces the preparation method of MWCNT/PANi electronic ink and its composite electrode, which was applied to the detection of urea. The linear range of the MWCNT/PANi composite electrode was increased by adjusting the concentration of MWCNT. The maximum linear range was 10 to 100 μM when 5.6 mg MWCNT was added. The sensitivity of the electrode was 2.435 $$\times$$ 10−4 mA mM−1 cm−2 and the detection limit was 53.9 nM. At the same time, an algorithm was proposed to identify and analyze the data collected by the electrochemical workstation in view of the errors existing in the calculation of the electrochemical sensor when analyzing the optimal response voltage of the electrode. This method was used to set constraints and screen the optimal working voltage. Experimental results show that this method has certain advantages.
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- 2020
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254. Intrinsic Ultralow-Threshold Laser Action from Rationally Molecular Design of Metal–Organic Framework Materials
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Rapti Ghosh, Hung-I Lin, Yun-Tzu Hsu, Kuang-Lieh Lu, Krishna Prasad Bera, Yang-Fang Chen, Tzuoo-Tsair Luo, Ting-Jia Chang, Hou Cheng-Fu, Saqib Kamal, Chen-Hsiung Hung, Arif I. Inamdar, Yu-Ming Liao, Yen-Guang Lee, Michitoshi Hayashi, and Batjargal Sainbileg
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2019-20 coronavirus outbreak ,Chemical substance ,Materials science ,Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) ,Multiple applications ,Nanotechnology ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Laser ,01 natural sciences ,0104 chemical sciences ,law.invention ,law ,Drug delivery ,General Materials Science ,Metal-organic framework ,0210 nano-technology ,Science, technology and society - Abstract
Metal-organic frameworks (MOFs) are superior for multiple applications including drug delivery, sensing, and gas storage because of their tunable physiochemical properties and fascinating architectures. Optoelectronic application of MOFs is difficult because of their porous geometry and conductivity issues. Recently, a few optoelectronic devices have been fabricated by a suitable design of integrating MOFs with other materials. However, demonstration of laser action arising from MOFs as intrinsic gain media still remains challenging, even though some studies endeavor on encapsulating luminescence organic laser dyes into the porous skeleton of MOFs to achieve laser action. Unfortunately, the aggregation of such unstable laser dyes causes photoluminescence quenching and energy loss, which limits their practical application. In this research, unprecedently, we demonstrated ultralow-threshold (∼13 nJ/cm
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- 2020
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255. Quick Operando Ambient Pressure Hard X-ray Photoelectron Spectroscopy for Reaction Kinetic Measurements of Polymer Electrolyte Fuel Cells
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Suwilai Chaveanghong, Toshihiko Yokoyama, Tomoya Uruga, Yasumasa Takagi, Takahiro Nakamura, Yasuhiro Iwasawa, and Mizuki Tada
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Chemical substance ,Materials science ,Analytical chemistry ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Kinetic energy ,Electrochemistry ,01 natural sciences ,0104 chemical sciences ,Surfaces, Coatings and Films ,Electronic, Optical and Magnetic Materials ,Chemical kinetics ,General Energy ,X-ray photoelectron spectroscopy ,Physical and Theoretical Chemistry ,0210 nano-technology ,Polymer electrolyte fuel cells ,Ambient pressure - Abstract
We have designed and constructed a quick operando ambient pressure hard X-ray photoelectron spectroscopy (HAXPES) measurement system for the investigations of reaction kinetics in electrochemical c...
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- 2020
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256. Organic Current Mirror PUF for Improved Stability Against Device Aging
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Yasuhiro Ogasahara, Zhaoxing Qin, Takashi Sato, Michihiro Shintani, and Kazunori Kuribara
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Imagination ,Hardware security module ,Chemical substance ,Computer science ,media_common.quotation_subject ,010401 analytical chemistry ,Transistor ,01 natural sciences ,0104 chemical sciences ,law.invention ,ComputingMilieux_MANAGEMENTOFCOMPUTINGANDINFORMATIONSYSTEMS ,Search engine ,Reliability (semiconductor) ,Current mirror ,law ,Electronic engineering ,Electrical and Electronic Engineering ,Instrumentation ,Voltage ,media_common - Abstract
Physically unclonable functions (PUFs) are important primitives in the field of hardware security. Their applications can be further broadened if PUFs are fabricated using organic thin-film transistors (OTFTs). Examples include smart packaging that proves authenticity of a contained product and privacy protection for information gathered by organic sensors. This paper proposes an organic current mirror PUF (OCM-PUF) that can be fabricated on a flexible substrate. The proposed OCM-PUF adapts a current mirror structure to achieve self-compensation of the device performance degradation of OTFTs, which is unavoidable in most organic materials. Two types of OCM-PUFs were designed using a low supply voltage OTFT to evaluate the metrics as a PUF. The fabricated OCM-PUFs maintained a reliability of nearly 95% over few weeks, thereby showing that the proposed PUF achieved a high tolerance against response changes caused by device aging.
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- 2020
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257. Interfacial Vibrational Dynamics of Ice I-h and Liquid Water
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Jenée D. Cyran, Prerna Sudera, Ellen H. G. Backus, Malte Deiseroth, Mischa Bonn, IoP (FNWI), and Soft Matter (WZI, IoP, FNWI)
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Chemical substance ,Chemistry ,Communication ,Intermolecular force ,Ice Ih ,General Chemistry ,Dissipation ,010402 general chemistry ,01 natural sciences ,Biochemistry ,Catalysis ,0104 chemical sciences ,Chemical Dynamics ,Physics::Geophysics ,Colloid and Surface Chemistry ,Chemical physics ,Energy flow ,Vibrational energy relaxation ,Astrophysics::Earth and Planetary Astrophysics ,Spectroscopy ,Physics::Atmospheric and Oceanic Physics - Abstract
Insights into energy flow dynamics at ice surfaces are essential for understanding chemical dynamics relevant to atmospheric and geographical sciences. Here, employing ultrafast surface-specific spectroscopy, we report the interfacial vibrational dynamics of ice Ih. A comparison to liquid water surfaces reveals accelerated vibrational energy relaxation and dissipation at the ice surface for hydrogen-bonded OH groups. In contrast, free-OH groups sticking into the vapor phase exhibit substantially slower vibrational dynamics on ice. The acceleration and deceleration of vibrational dynamics of these different OH groups at the ice surface are attributed to enhanced intermolecular coupling and reduced rotational mobility, respectively. Our results highlight the unique properties of free-OH groups on ice, putatively linked to the high catalytic activities of ice surfaces.
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- 2020
258. Graphene‐Like Covalent Organic Framework with a Wide Band Gap Synthesized On Surface via Stepwise Reactions
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Miao Yu, Junfeng Zhou, Lev Kantorovich, Flemming Besenbacher, Guoqiang Shi, Ye Sun, Zhuo Li, and Qiang Fang
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stepwise reactions ,Materials science ,Chemical substance ,010405 organic chemistry ,Graphene ,Band gap ,Wide-bandgap semiconductor ,Nanotechnology ,General Chemistry ,General Medicine ,010402 general chemistry ,01 natural sciences ,Catalysis ,0104 chemical sciences ,law.invention ,Organic semiconductor ,law ,Covalent bond ,on-surface synthesis ,triazine ,covalent organic frameworks ,Bond cleavage ,Covalent organic framework - Abstract
Developing graphene-like two-dimensional materials naturally possessing a band gap has sparked enormous interest. Thanks to the inherent wide band gap and high mobility in the 2D plane, covalent organic frameworks containing triazine rings (t-COFs) hold great promise in this regard, whilst the synthesis of single-layer t-COFs remains highly challenging. Herein, we present the fabrication of a well-defined graphene-like t-COF on Au(111). Instead of single/multiple-step single-type reactions commonly applied for on-surface synthesis, distinct stepwise on-surface reactions, including alkynyl cyclotrimerization, C−O bond cleavage, and C−H bond activation, are triggered on demand, leading to product evolution in a controlled step-by-step manner. Aside from the precise control in sophisticated on-surface synthesis, this work proposes a single-atomic-layer organic semiconductor with a wide band gap of 3.41 eV.
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- 2020
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259. Hydrogenolysis of Linear Low-Density Polyethylene during Heterogeneous Catalytic Hydrogen–Deuterium Exchange
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Marc A. Hillmyer, Frank S. Bates, Theresa M. Reineke, Huiqun Wang, S. Piril Ertem, Timothy P. Lodge, and C. Emmanuel Onuoha
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chemistry.chemical_classification ,Materials science ,Chemical substance ,Polymers and Plastics ,Hydrogen ,Organic Chemistry ,Inorganic chemistry ,chemistry.chemical_element ,Polymer ,Catalysis ,Inorganic Chemistry ,Linear low-density polyethylene ,chemistry ,Deuterium ,Hydrogenolysis ,Materials Chemistry ,Hydrogen–deuterium exchange - Abstract
Exchange of deuterium (D) for hydrogen (H) on polyolefins enabled by heterogeneous catalysts is a versatile and relatively inexpensive technique to obtain matched pairs of isotopically labeled and ...
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- 2020
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260. The Relationship between Copper Oxide Thin Film Structure and Photovoltaic Power on Cu2O/TiO2 Thin Films
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Keisuke Ishizaka, Anmar H. Shukor, and Ichiro Takano
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Copper oxide ,chemistry.chemical_compound ,Chemical substance ,Materials science ,chemistry ,Magazine ,Chemical engineering ,law ,Photovoltaic system ,Thin film ,Science, technology and society ,law.invention - Published
- 2020
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261. On Hydrogenated Bilayer GaN: New Stable Structures along the c-Plane, m-Plane, or a-Plane
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Takeshi Nakanishi, Tetsuya Morishita, Tomoe Yayama, and Anh Khoa Augustin Lu
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Imagination ,Thesaurus (information retrieval) ,Materials science ,Chemical substance ,Condensed matter physics ,Plane (geometry) ,Bilayer ,media_common.quotation_subject ,02 engineering and technology ,Hydrogen passivation ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,0104 chemical sciences ,Surfaces, Coatings and Films ,Electronic, Optical and Magnetic Materials ,General Energy ,Physical and Theoretical Chemistry ,Hydrogen concentration ,0210 nano-technology ,Science, technology and society ,media_common - Abstract
Two-dimensional III–V materials such as GaN have been realized experimentally in recent years. While their pristine two-dimensional structures have been studied in detail in previous works, the eff...
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- 2020
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262. SBA‐15 Supported Chiral Phosphine‐Gold(I) Complex: Highly Efficient and Recyclable Catalyst for Asymmetric Cycloaddition Reactions
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Nannan Wang, Haihong Wu, Peng Wu, Teng Xue, Junliang Zhang, and Dong Yan
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Thesaurus (information retrieval) ,Chemical substance ,Organic Chemistry ,Enantioselective synthesis ,Heterogeneous catalysis ,Recyclable catalyst ,Combinatorial chemistry ,Catalysis ,Cycloaddition ,Inorganic Chemistry ,chemistry.chemical_compound ,chemistry ,Physical and Theoretical Chemistry ,Phosphine - Published
- 2020
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263. Influence of Oxygen Defects and Their Evolution on the Ferromagnetic Ordering and Band Gap of Mn-Doped ZnO Films
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Abdel Alsmadi, B. Salameh, and M. Shatnawi
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Materials science ,Chemical substance ,Condensed matter physics ,Band gap ,chemistry.chemical_element ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,Oxygen ,0104 chemical sciences ,Surfaces, Coatings and Films ,Electronic, Optical and Magnetic Materials ,General Energy ,chemistry ,Ferromagnetism ,Mn doped ,Physical and Theoretical Chemistry ,0210 nano-technology ,Science, technology and society - Abstract
We performed a comprehensive investigation on the influence of oxygen vacancies (VO) defects and their evolution under Mn substitution and thermal annealing in different atmospheres on the ferromag...
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- 2020
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264. Charge-Transfer Complexes for Solid-State Li+ Conduction
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Kenichi Oyaizu, Momoka Umeki, Kan Hatakeyama-Sato, and Toshiki Tezuka
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Materials science ,Chemical substance ,Analytical chemistry ,Solid-state ,Charge (physics) ,Thermal conduction ,Electronic, Optical and Magnetic Materials ,law.invention ,Ion ,Magazine ,law ,Materials Chemistry ,Electrochemistry ,Science, technology and society - Abstract
Contradictory to the conventional understanding of solid-state ionics, we find that some organic crystals are highly ion conducting (>10–4 S/cm at room temperature). Through the microparticles of c...
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- 2020
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265. The Trans Axial Ligand Effect on Oxygen Reduction. Immobilization Method May Weaken Catalyst Design for Electrocatalytic Performance
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Rui Cao, Xialiang Li, Haitao Lei, Jia Meng, and Wei Zhang
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Chemical substance ,Chemistry ,Ligand ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,0104 chemical sciences ,Surfaces, Coatings and Films ,Electronic, Optical and Magnetic Materials ,Catalysis ,law.invention ,chemistry.chemical_compound ,General Energy ,Magazine ,law ,Polymer chemistry ,Pyridine ,Oxygen reduction reaction ,Physical and Theoretical Chemistry ,Triphenylphosphine ,0210 nano-technology ,Science, technology and society - Abstract
To investigate the effect of trans axial ligand on the oxygen reduction reaction (ORR), Co corroles with axial pyridine (py) and triphenylphosphine (PPh3) ligands were examined. Two methods were us...
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- 2020
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266. Vanadium‐Substituted Tungstosulfate Polyoxometalates as Peroxidase Mimetics and Their Potential Application in Biosensing
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Ayad Saeed, Muhammad Umer, Naoki Yamasaki, Shinya Azuma, Tadaharu Ueda, and Muhammad J. A. Shiddiky
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chemistry.chemical_classification ,Bioanalysis ,Chemical substance ,biology ,010405 organic chemistry ,Biomolecule ,Kinetics ,Vanadium ,chemistry.chemical_element ,02 engineering and technology ,021001 nanoscience & nanotechnology ,010402 general chemistry ,01 natural sciences ,Combinatorial chemistry ,Catalysis ,0104 chemical sciences ,chemistry ,Electrochemistry ,biology.protein ,0210 nano-technology ,Biosensor ,Peroxidase - Abstract
This article reports on the peroxidase-like catalytic activity of polyoxometalates (POMs) and their potential use as natural peroxidases for developing a simple and efficient colorimetric glucose sensor. Two Keggin-type vanadium-substituted tungstosulfates, [SVW11O40]3− (SVW11) and [SV2W10O40]4− (SV2W10), were tested for their potential as natural enzyme mimetics and exhibited strong peroxidase-like catalytic activity. The catalysis reaction was found to be in accordance with Michaelis-Menten and Lineweaver-Burk kinetics models. Michaelis-Menten constant (Km) and maximum velocity (Vmax) parameters were calculated to be 0.0759 mM and 0.329×10−8 Ms−1 for SVW11, and 0.0543 mM and 2.67×10−8 Ms−1 for SV2W10, respectively, indicating a high catalytic activity and a strong affinity of POMs towards 3,3,5,5-tetramethylbenzidine (TMB). In the case of H2O2, these values were found to be 57.1 mM and 0.325×10−8 mMs−1 for SVW11, and 47.7 mM and 2.72×10−8 mMs−1 for SV2W10. The peroxidase-like catalytic activity of these POMs was used to develop colorimetric glucose sensors as a proof-of-concept model for the POM-based naked-eye detection of biomolecules. The limit of detcetion (LOD) of glucose for SVW11 and SV2W10 was 1.14 μM and 1.24 μM, respectively. Our findings propose broad-ranging potential applications of these novel POMs in biosensing and bioanalytical chemistry.
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- 2020
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267. Hydrogen Boride Sheets as Reductants and the Formation of Nanocomposites with Metal Nanoparticles
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Takahiro Kondo, Ryota Ishibiki, Akira Yamaguchi, Taiga Goto, Shin Ichi Ito, Reiya Kawamura, Masahiro Miyauchi, Takeshi Fujita, Toru Hirabayashi, and Hideo Hosono
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Nanocomposite ,Chemical substance ,Hydrogen ,010405 organic chemistry ,Chemistry ,chemistry.chemical_element ,General Chemistry ,010402 general chemistry ,01 natural sciences ,0104 chemical sciences ,chemistry.chemical_compound ,Chemical engineering ,Boride ,Metal nanoparticles ,Science, technology and society ,Boron - Abstract
Hydrogen boride (HB) sheets have recently been synthesized as new two-dimensional materials composed of boron and hydrogen. This study reports a new role of HB sheets as reductants. Ultraviolet–vis...
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- 2020
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268. Evolution of Chip-Deformation Mechanisms with Increasing Temperature in Laser-Assisted Microcutting of Amorphous Alloy
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Shaolin Xu, Qingrui Gong, and Pei Qiu
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Imagination ,0209 industrial biotechnology ,Thesaurus (information retrieval) ,Amorphous metal ,Materials science ,Chemical substance ,Mechanical Engineering ,media_common.quotation_subject ,02 engineering and technology ,021001 nanoscience & nanotechnology ,Chip ,Engineering physics ,Industrial and Manufacturing Engineering ,Search engine ,020901 industrial engineering & automation ,Deformation mechanism ,0210 nano-technology ,Science, technology and society ,media_common - Abstract
NiP coating with an amorphous structure is a commonly used mold material for manufacturing resin optical components. However, due to the inhomogeneous deformation characteristics of amorphous alloys, chippings and burrs are easily produced at the edge of microstructures. Laser-assisted microcutting has proven to effectively inhibit the generation of these defects but the evolution of chip-deformation mechanisms with different laser power remains to be explored. In this study, a simulation of the temperature field under nanosecond laser irradiation was conducted and the laser-assisted cutting of NiP was considered, using the same irradiation parameters. Through the analysis of chip morphology under different conditions, it is found that the temperature in the deformation zone mainly affects the morphology of the secondary shear bands but has no effect on the number of nucleation in the primary and secondary shear bands. The proper temperature in the shear deformation zone can improve the deformation ability of the secondary shear band, thus making the shearing process more stable. This research will prove helpful to understand the material deformation mechanisms to guide the selection of laser parameters in the laser assisted cutting of amorphous alloy.
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- 2020
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269. Mechanistic Insights into Photocatalyzed H2 Dissociation on Au Clusters
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Qisheng Wu, George C. Schatz, Linsen Zhou, Yu Zhang, and Hua Guo
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Chemical substance ,Chemistry ,General Chemistry ,010402 general chemistry ,Photochemistry ,01 natural sciences ,Biochemistry ,Chemical reaction ,Catalysis ,Dissociation (chemistry) ,0104 chemical sciences ,Colloid and Surface Chemistry ,Mechanism (philosophy) ,Cluster (physics) ,Localized surface plasmon - Abstract
Localized surface plasmon resonances (LSPRs) have attracted much recent attention for their potential in promoting chemical reactions with light. However, the mechanism of LSPR-induced chemical rea...
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- 2020
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270. Effect of sintering temperature on the electric properties of KNLNT ceramics
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Weipeng Lin, Chunxiao Zhang, Bin Yang, Fengmin Wu, Junjun Wang, and Xunjun He
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010302 applied physics ,Imagination ,Thesaurus (information retrieval) ,Materials science ,Chemical substance ,media_common.quotation_subject ,Metallurgy ,Sintering ,02 engineering and technology ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,01 natural sciences ,Energy storage ,Electronic, Optical and Magnetic Materials ,Search engine ,visual_art ,0103 physical sciences ,visual_art.visual_art_medium ,Ceramic ,0210 nano-technology ,Science, technology and society ,media_common - Abstract
(K0.48Na0.48Li0.04)(Nb0.8Ta0.2)O3 (KNN-LT) ceramics were prepared by the traditional solid-state reaction method. The combined effects of Li and Ta additions resulted in a decrease in the orthorhom...
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- 2020
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271. High-Performance Strain Sensors Based on Vertically Aligned Piezoelectric Zinc Oxide Nanowire Array/Graphene Nanohybrids
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Ashely Tramble, Amy Wilson, Mohan Panth, Young Zhang, Judy Z. Wu, Dan Ewing, and Brent Cook
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Chemical substance ,Materials science ,Strain (chemistry) ,business.industry ,Graphene ,Nanowire ,chemistry.chemical_element ,Zinc ,Piezoelectricity ,law.invention ,chemistry ,Magazine ,law ,Optoelectronics ,General Materials Science ,business ,Science, technology and society - Abstract
A nanohybrid piezoelectric strain sensor was fabricated by growing vertically aligned (0001)-oriented crystalline zinc oxide nanowires directly on graphene (ZnO-VANWs/Gr) using a facile seedless hy...
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- 2020
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272. Extreme high energy storage efficiency in perovskite structured (1-x)(Ba0.8Sr0.2)TiO3-xBi(Zn2/3Nb1/3)O3 (0.04 ≤ x ≤ 0.16) ceramics
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Di Zhou, Wen-Bo Li, Lei Zhang, and Li-Xia Pang
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010302 applied physics ,Work (thermodynamics) ,Chemical substance ,Materials science ,Analytical chemistry ,02 engineering and technology ,Dielectric ,Pulsed power ,021001 nanoscience & nanotechnology ,01 natural sciences ,visual_art ,0103 physical sciences ,Materials Chemistry ,Ceramics and Composites ,visual_art.visual_art_medium ,Ceramic ,0210 nano-technology ,Science, technology and society ,Efficient energy use ,Perovskite (structure) - Abstract
Dielectric materials with high power density, fast charge and discharge rates, and high energy-storage density are urgently required due to the rapid development of hybrid vehicles and pulse power boosting technology. In this work, the novel environment-friendly (1-x)(Ba0.8Sr0.2)TiO3-xBi(Zn2/3Nb1/3)O3 (0.04 ≤ x ≤ 0.16) [(1-x)BST-xBZN] ceramics were designed and synthesized by traditional solid-state reaction method, exhibiting ultrahigh energy efficiency and super stability against temperature. The results show that the recoverable energy density (Wrec) and the energy efficiency (η) of the (1-x)BST-xBZN ceramics are increase sharply then decrease slightly with increasing of x value. The 0.88BST-0.12BZN ceramic demonstrated a recoverable energy density of ≈ 1.62 J/cm3 and an extreme high energy efficiency of ∼ 99.8 % at 225 kV/cm at room temperature. These extreme high efficiency and high breakdown strength would make (Ba,Sr)TiO3-based lead-free ceramic systems might be good candidate for high power energy-storage applications pulsed power systems.
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- 2020
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273. Simple Tuning and Low-Computational-Cost Controller for Enhancing Energy Efficiency of Autonomous-Driving Electric Vehicles
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Yoichi Hori, Yusuke Takeda, Koji Sato, Hiroshi Fujimoto, and Mitsuhiro Hattori
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Imagination ,Chemical substance ,business.product_category ,SIMPLE (military communications protocol) ,Computer science ,Mechanical Engineering ,media_common.quotation_subject ,Energy Engineering and Power Technology ,Linear-quadratic regulator ,Industrial and Manufacturing Engineering ,Automotive engineering ,Control theory ,Automotive Engineering ,Electric vehicle ,Electrical and Electronic Engineering ,business ,Efficient energy use ,media_common - Published
- 2020
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274. Quantifying temperature-equilibrium time using temperature analysis inside a Farmer ionization chamber
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Shinji Abe, Kenji Yasue, Hiraku Fuse, Tatsuya Fujisaki, and Satoshi Oyama
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Imagination ,Time Factors ,Materials science ,Chemical substance ,temperature-equilibrium time ,Health, Toxicology and Mutagenesis ,media_common.quotation_subject ,Electrometer ,Imaging phantom ,030218 nuclear medicine & medical imaging ,03 medical and health sciences ,temperature distribution ,0302 clinical medicine ,temperature analysis ,Regular Paper ,absorbed-dose measurement ,Dosimetry ,Radiology, Nuclear Medicine and imaging ,media_common ,Radiation ,Equilibrium time ,Farmer ionization chamber ,Temperature ,Water ,Thermal Conductivity ,Mechanics ,030220 oncology & carcinogenesis ,Ionization chamber ,AcademicSubjects/SCI00960 ,Cavity wall - Abstract
In this study, we propose a methodology for temperature determination of the temperature and pressure correction factor, PTP, by analyzing the temperature distribution of the modeled ionization chamber taking into account the thermal effect of a water phantom on neighboring materials in the process. Additionally, we present an appropriate temperature-equilibrium time for conducting measurements. The temporal response in the cavity is acquired at 20-s intervals using a Farmer ionization chamber and an electrometer. The initial temperature of the water phantom is 20–25°C with continuous heating/cooling. The temporal response is measured until temperature equilibrium is confirmed, specifically when a temperature difference of 1–5°C is observed between the ionization chamber and the water phantom. Using an ionization-chamber model, temperature distribution is simulated between 20 and 25°C with various parameters set to receive heating and cooling from surrounding media. The results suggest that the temporal response of the ionization chamber essentially coincides with the temperature change at the tip and middle; moreover, the predicted temperature change for temporal response and the simulated temperature of water are different by ~0.16°C at the tip and ~0.79°C at the bottom. Overall, the temperature-equilibration time for absorbed dosimetry is affected by two factors: the cavity wall and the stem side of the cavity; moreover, 400 s is required to obtain complete temperature equilibrium in the water phantom. This analytical study supports the experimental value obtained in previous research. Therefore, analytical representation of the temperature distribution in the ionization chamber is possible.
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- 2020
275. Use of Alternating Elastoplastic Deformation for Hardening Metallic Materials
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V. M. Matyunin, Elena N. Sheftel, A. Yu. Marchenkov, M. M. Perkas, V. S. Yusupov, and A. E. Shelest
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Austenite ,Materials science ,Chemical substance ,Deformation (mechanics) ,Metals and Alloys ,chemistry.chemical_element ,Copper ,chemistry ,Aluminium ,visual_art ,Metallic materials ,Hardening (metallurgy) ,visual_art.visual_art_medium ,Composite material ,Sheet metal - Abstract
The effect of alternating elastoplastic deformation in a mangle on the mechanical properties of a sheet metal is studied. A method is proposed to determine the cumulative principal true strain intensity required for hardening of commercial-purity copper, aluminum, and austenitic corrosion-resistant steel using the flow curves of these materials in the initial state.
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- 2020
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276. Numerical simulation of wave mode transition in rotating detonation engine with OpenFOAM
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Xiang-Yang Liu, Ming-Yi Luan, Zhi-Jie Xia, and Jian-Ping Wang
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Physics ,Imagination ,Steady state ,Chemical substance ,Computer simulation ,Renewable Energy, Sustainability and the Environment ,media_common.quotation_subject ,Detonation ,Mode (statistics) ,Energy Engineering and Power Technology ,02 engineering and technology ,Mechanics ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,Collision ,Kinetic energy ,01 natural sciences ,0104 chemical sciences ,Fuel Technology ,0210 nano-technology ,media_common - Abstract
Two-dimensional numerical simulations of rotating detonation engine are carried out with detailed chemical kinetic mechanism using detoFoam, a custom solver based on OpenFOAM 7. The results show the transition process from single wave with counter-rotating components mode to two counter-rotating waves at equal speed mode. Counter-rotating components are weak waves propagating in the opposite direction against the primary detonation wave. The mechanism behind the transition process is that the counter-rotating components gain energy from collisions with detonation waves and the fresh gas region. When counter-rotating components gain more energy than they lose in one cycle, they become stronger until the peak pressure reaches a threshold value. When a counter-rotating component is strong enough, its collision with fresh gas region will ignite a detonation wave, breaking the steady state. The new detonation wave propagates in the opposite direction against the original detonation wave, leading to the formation of two counter-rotating detonation waves.
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- 2020
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277. Investigation of Nano-Sized Al2O3 on Pr-Sr-Mn-O Composites: Structural, Microstructural and Magnetic Properties
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Lim Kean Pah, Shaari Abdul Halim, Lik Nguong Lau, Soo Kien Chen, Mohd Mustafa Awang Kechik, and Nurul Suhada Badron
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010302 applied physics ,Thesaurus (information retrieval) ,Materials science ,Chemical substance ,Rietveld refinement ,02 engineering and technology ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,01 natural sciences ,Atomic and Molecular Physics, and Optics ,Search engine ,Chemical engineering ,0103 physical sciences ,General Materials Science ,0210 nano-technology ,Science, technology and society ,Nano sized - Abstract
Perovskite manganites have always been the research interest attributed to its intriguing colossal magnetoresistive (CMR) properties. Incorporation of an insulating secondary phase into the manganite composites has proven as an effective measure to enhance the low field magnetoresistance (LFMR). This paper reports the structural, microstructural and magnetic properties of (1-x) Pr0.7Sr0.3MnO3 (PSMO): x Al2O3 composites synthesized by the solid-state reaction method. Different compositions of nano-sized Al2O3 (x = 0.00, 0.05, 0.10, 0.15 and 0.20) were appended into the samples to investigate its effect on the physical properties. X-ray diffraction patterns show all samples exhibit polycrystalline PSMO as the major phase and strong orientation along (121) direction throughout the series. The crystal structural parameter is presented by Rietveld refinement. Nano-sized of Al2O3 has distorted the pure PSMO as changes have been observed in bond length and bond angle observed. Surface roughness and particle size show the increment along with increasing Al2O3 composition from the atomic force microscope (AFM) analysis. All samples possess the narrow hysteresis loop with weak ferromagnetic nature. The PSMO: Al2O3 presented in this study is a promising manganite composite which can be utilized in the magnetic sensor applications.
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- 2020
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278. 15.34% efficiency all-small-molecule organic solar cells with an improved fill factor enabled by a fullerene additive
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Qianguang Yang, Ranbir Singh, Tao Liu, He Yan, Dingqin Hu, Friso Wobben, Ruijie Ma, Vincent M. Le Corre, Zeyun Xiao, L. Jan Anton Koster, Hua Tang, Zhipeng Kan, Shirong Lu, Haiyan Chen, Tainan Duan, and Photophysics and OptoElectronics
- Subjects
Fullerene ,Materials science ,Chemical substance ,MISCIBILITY ,Organic solar cell ,Renewable Energy, Sustainability and the Environment ,Open-circuit voltage ,Energy conversion efficiency ,GAP ,Pollution ,Active layer ,PCBM ,Nuclear Energy and Engineering ,Chemical engineering ,POLYMER/FULLERENE ,Environmental Chemistry ,Charge carrier ,Short circuit - Abstract
Solution processed organic solar cells (OSCs) composed of all small molecules (ASM) are promising for production on an industrial scale owing to the properties of small molecules, such as well-defined chemical structures, high purity of materials, and outstanding repeatability from batch to batch synthesis. Remarkably, ASM OSCs with power conversion efficiency (PCE) beyond 13% were achieved by structure improvement of the electron donor and choosingY6as the electron acceptor. However, the fill factor (FF) is an obstacle that limits the further improvement of the PCE for these ASM OSCs. Herein, we focus on the FF improvement of recently reported ASM OSCs withBTR-Cl:Y6as the active layer by miscibility-induced active layer morphology optimization. The incorporation of fullerene derivatives, which have good miscibility with bothBTR-ClandY6, results in reduced bimolecular recombination and thus improved FF. In particular, whenca.5 wt% ofPC(71)BMwas added in the active layer, a FF of 77.11% was achieved without sacrificing the open circuit voltage (V-OC) and the short circuit current density (J(SC)), leading to a record PCE of 15.34% (certified at 14.7%) for ASM OSCs. We found that the optimized device showed comparable charge extraction, longer charge carrier lifetime, and slower bimolecular recombination rate compared with those of the control devices (w/o fullerene). Our results demonstrate that the miscibility driven regulation of active layer morphology by incorporation of a fullerene derivative delicately optimizes the active layer microstructures and improves the device performance, which brings vibrancy to OSC research.
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- 2020
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279. A new method for optimal parameters identification of a PEMFC using an improved version of Monarch Butterfly Optimization Algorithm
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Baharuddin, Andino Maseleno, Juhriyansyah Dalle, Abdullah Yildizbasi, Songjian Bao, Abdol Ghaffar Ebadi, and Mohsen Toughani
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Imagination ,Chemical substance ,Renewable Energy, Sustainability and the Environment ,Computer science ,media_common.quotation_subject ,Chaotic ,Energy Engineering and Power Technology ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,01 natural sciences ,0104 chemical sciences ,Search engine ,Fuel Technology ,Approximation error ,0210 nano-technology ,Metaheuristic ,Algorithm ,Selection (genetic algorithm) ,media_common ,Voltage - Abstract
In this paper, a circuit-based model of proton exchange membrane fuel cell (PEMFC) is developed for optimal selection of the model parameters. The optimization is based on using an improved version of Monarch Butterfly Optimization (IMBO) algorithm for minimizing the Integral Time Absolute Error between the measured output voltage and the output voltage of the achieved model. For validation of the proposed method, two different case studies including 6 kW NedSstack PS6 and 2 kW Nexa FC PEMFC stacks have been employed and the results have been compared with the experimental data and some well-known metaheuristics including Chaotic Grasshopper Optimization Algorithm (CGOA), Grass Fibrous Root Optimization Algorithm (GRA), and basic Monarch Butterfly Optimization (MBO) to indicate the superiority of the proposed method against the compared methods. Final results show a satisfying agreement between the proposed IMBO and the experimental data.
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- 2020
- Full Text
- View/download PDF
280. Self-Sensing Electro-Ribbon Actuators
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Tim Helps, Simon Bluett, Jonathan Rossiter, and Majid Taghavi
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Imagination ,Control and Optimization ,Chemical substance ,Materials science ,Acoustics ,media_common.quotation_subject ,Capacitive sensing ,Biomedical Engineering ,02 engineering and technology ,01 natural sciences ,Capacitance ,Displacement (vector) ,Artificial Intelligence ,Position (vector) ,0103 physical sciences ,soft sensors and actuators ,media_common ,010302 applied physics ,Mechanical Engineering ,modeling ,021001 nanoscience & nanotechnology ,Computer Science Applications ,Human-Computer Interaction ,Control and Systems Engineering ,Electrode ,compliant joint/mechanism ,learning for soft robots ,Computer Vision and Pattern Recognition ,0210 nano-technology ,Actuator ,control - Abstract
In this letter, we investigate the viability of capacitance self-sensing of electro-ribbon actuators, allowing them to be used simultaneously as an actuator and a sensor. Initially the electro-ribbon actuator was implemented only as a sensor, and it was found that the exponential relationship between capacitance and displacement made the device a poor sensor at distances greater than 2 mm. When used simultaneously as an actuator and a sensor, the `zipping' motion of the electrodes changed this relationship, making it more suitable for position sensing. Capacitance was found to be a good indicator of the amount of zipping experienced by the electrodes. For effective displacement sensing, the mass of the the load being applied to the actuator should be known. Finally, a closed-loop PI position control system using self-sensing feedback was implemented. The results demonstrated that, provided the applied load is known, capacitive self-sensing can be used to control the position of electro-ribbon actuators with reasonable accuracy.
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- 2020
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281. Annealing heating rate dependence of microstructure and multiferroic properties in Bi4Ti2.9Fe0.1O12/CoFe2O4 layered magnetoelectric composite films prepared by chemical solution deposition method
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Xianhui Wang, Zongfan Duan, Jiatong Mao, Zhudong Hu, Yun Mei, Caiyin You, Xing Fu, Kai Ding, and Gaoyang Zhao
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010302 applied physics ,Chemical substance ,Materials science ,Annealing (metallurgy) ,Process Chemistry and Technology ,Composite number ,02 engineering and technology ,Dielectric ,021001 nanoscience & nanotechnology ,Microstructure ,01 natural sciences ,Ferroelectricity ,Surfaces, Coatings and Films ,Electronic, Optical and Magnetic Materials ,0103 physical sciences ,Materials Chemistry ,Ceramics and Composites ,Multiferroics ,Composite material ,0210 nano-technology ,Leakage (electronics) - Abstract
Lead-free magnetoelectric composite films of CoFe2O4 (CFO) and Bi4Ti2.9Fe0.1O12 (BTF) were prepared on the LaNiO3-coated Si substrate by chemical solution deposition. Though the CFO layer randomly grows on the LaNiO3 layer, the oriented growth of the BTF layer can be regulated by rapid annealing treatment. The results indicated that the annealing heating rate significantly affects the c-axis orientation of the BTF layer, thereby resulting in obvious changes in microstructure, leakage behavior, dielectricity and ferroelectricity of the BTF/CFO films. The BTF/CFO film prepared at the heating rate of 40 °C/s presents the most compact structure, minimum leakage current, maximum dielectric constant and the highest residual polarization of 28.8 μC/cm2. Moreover, the excellent magnetoelectric coupling performance along with the highest magnetoelectric coupling voltage coefficient αE of 20.1 V/cm∙Oe can be achieved in these conditions.
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- 2020
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282. Prediction of Yields of Lower Olefins during Pyrolysis of Hydrocarbon Feedstock
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F. R. Murtazin and R. G. Khasanov
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Alkane ,chemistry.chemical_classification ,Chemical substance ,Materials science ,General Chemical Engineering ,Energy Engineering and Power Technology ,General Chemistry ,Raw material ,Experimental research ,Fuel Technology ,Hydrocarbon ,chemistry ,Chemical engineering ,Yield (chemistry) ,Pyrolysis - Abstract
A method for predicting the yield of unsaturated hydrocarbons during pyrolysis of individual alkane hydrocarbons and mixed hydrocarbons based on the conducted research and on literature data for pyrolysis of various hydrocarbon feedstocks was developed. The proposed method is universal for any type of feedstock and allows the maximum possible yield of target pyrolysis products to be pre-evaluated both before starting of experimental research and during industrial operation of pyrolysis plants.
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- 2020
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283. Modeling of a Bending Supercoiled Polymer (SCP) Artificial Muscle
- Author
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Jun Zhang
- Subjects
Imagination ,Control and Optimization ,Chemical substance ,Materials science ,media_common.quotation_subject ,Biomedical Engineering ,02 engineering and technology ,01 natural sciences ,Computer Science::Robotics ,Computer Science::Systems and Control ,Artificial Intelligence ,Deflection (engineering) ,Control theory ,0103 physical sciences ,010301 acoustics ,media_common ,Mechanical Engineering ,Linear model ,021001 nanoscience & nanotechnology ,Computer Science Applications ,Human-Computer Interaction ,Nonlinear system ,Control and Systems Engineering ,Artificial muscle ,Computer Vision and Pattern Recognition ,0210 nano-technology ,Actuator ,Beam (structure) - Abstract
As a recently developed artificial muscle, supercoiled polymer (SCP) actuators exhibit many desirable properties such as inherent compliance, large linear tensile actuation, and high energy and power densities. By embedding linear SCP actuators into flexible beams and activating them, bending SCP actuators can be created with outstanding deflection performances. However, their full potential as bending robotic muscles is challenged by their hysteresis nonlinearity and the complex coupling between the beam and the linear SCP actuator. In this study, we propose a nonlinear model that can accurately capture and estimate the steady-state displacement of the bending SCP actuator. The proposed model is constructed by coupling a Preisach hysteresis model and nonlinear beam equations. Numerical solution is obtained using a bisection technique-based algorithm and Runge-Kutta method. For comparison purposes, a linear model is also considered. Both simulation and experimental investigations are conducted. The effectiveness of the proposed modeling approach is confirmed.
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- 2020
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284. Large energy storage density in BiFeO3-BaTiO3-AgNbO3 lead-free relaxor ceramics
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Buwei Sun, Haonan Sun, Xiangjian Wang, Xiaoxiao Zhang, Xiaopei Zhu, Qinzao Sun, Mengyao Guo, Xiaojie Lou, Qida Liu, and Zhuang Ma
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010302 applied physics ,Phase boundary ,Materials science ,Chemical substance ,Doping ,02 engineering and technology ,Dielectric ,Atmospheric temperature range ,021001 nanoscience & nanotechnology ,01 natural sciences ,Energy storage ,visual_art ,0103 physical sciences ,Materials Chemistry ,Ceramics and Composites ,visual_art.visual_art_medium ,Thermal stability ,Ceramic ,Composite material ,0210 nano-technology - Abstract
Lead-free (0.70-x)BiFeO3-0.30BaTiO3-xAgNbO3+5‰mol CuO (abbreviated as BF-BT-xAN) ceramics were fabricated using a modified thermal quenching technique. BF-BT-xAN ceramics are of a perovskite structure with morphotropic phase boundary (MPB) and show strong relaxor properties. Remarkably, the high recoverable energy storage density of 2.11 J/cm3 is obtained for BF-BT-xAN with x = 0.14. For the x = 0.14 ceramics, its energy storage efficiency is as high as 84 % at relative low field of 195 kV/cm, together with an outstanding thermal stability in a broad temperature range from 25 °C to 150 °C. In addition, this ceramic maintains superior energy storage performance even after 8 × 104 electrical cycles due to its high densification after doping Ag2O and Nb2O5. The result suggests that lead-free BF-BT-xAN ceramics may be promising candidate for dielectric energy storage application.
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- 2020
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285. Determination of Anthraquinone Violet 3RN solubility in supercritical carbon dioxide with/without co-solvent: Experimental data and modeling (empirical and thermodynamic models)
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Mitra Amani, Nedasadat Saadati Ardestani, and Leila Moharrery
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Chemical substance ,Ternary numeral system ,Supercritical carbon dioxide ,General Chemical Engineering ,Thermodynamics ,02 engineering and technology ,General Chemistry ,021001 nanoscience & nanotechnology ,Supercritical fluid ,law.invention ,chemistry.chemical_compound ,020401 chemical engineering ,Magazine ,chemistry ,law ,Methanol ,Binary system ,0204 chemical engineering ,Solubility ,0210 nano-technology - Abstract
In this study, the solubility of Anthraquinone Violet 3RN (AV3RN) was measured in supercritical CO2 with/without methanol as co-solvent at different temperature (308, 318, 328 and 338) K and pressures up to 34.0 MPa. The solubility of AV3RN varied in the range of 0.047 × 10−5 to 0.546 × 10−5 mole fractions while its solubility by co-solvent ranged from 0.44 × 10−5 to 5.77 × 10−5 mole fractions. Calculated enhanced solubility factors are in the range of 7.7–15.9 by addition of 6% mole methanol as co-solvent. For both studied systems, AV3RN solubility was correlated with several density-based models and equations of state (EoSs) including Peng–Robinson (PR) and Soave–Redlich–Kwong (SRK). Empirical models developed by Khansary et al. along with Garlapati–Madras models in binary system, and the Jouyban et al. model in ternary system exhibited the highest accordance with experimental data. Also it was shown that, the PR model performed better in predicting the solubility of AV3RN when compared with SRK.
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- 2020
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286. Ignition of Coal Microparticles in an Air Atmosphere and Their Influence on the Inflammation of Methane
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O. G. Penyazkov, S. Yu. Shimchenko, and V. V. Leshchevich
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Chemical substance ,Materials science ,business.industry ,General Engineering ,Fraction (chemistry) ,Condensed Matter Physics ,Methane ,law.invention ,Ignition system ,chemistry.chemical_compound ,Magazine ,Chemical engineering ,chemistry ,law ,Coal ,business ,Spontaneous combustion ,Stoichiometry - Abstract
The spontaneous combustion of the coal microparticles of fractions 1–20 μm and 20–32 μm in an air atmosphere and the inflammation of the coal microparticles of fraction 20–32 μm in a methane–air mixture at temperatures of 700–1100 K were investigated with the use of a rapid compression machine. A contactless measurement of the temperature of the coal particles ignited spontaneously in a gas has shown that this temperature can reach 2500 ± 200 K and substantially exceeds the temperature of the gas at the end of its compression stroke. It was established that the coal microparticles burning in a stoichiometric methane–air mixture are local hotbeds of fire in this mixture at a temperature as high as 1400 K and that the gas is ignited in the neighborhood of these hotbeds. The limiting temperatures of ignition of the coal microparticles in an air atmosphere free of methane and in a methane–air mixture were determined. The measured times of delay in the ignition of the methane by the coal microparticles in a hybrid methane–air mixture agree with the delay times of ignition of a pure methane–air mixture under the same conditions to within the experimental error.
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- 2020
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287. Composition and processing design of medium-Mn steels based on CALPHAD, SFE modeling, and genetic optimization
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John S. Aristeidakis and Gregory N. Haidemenopoulos
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010302 applied physics ,Austenite ,Quenching ,Work (thermodynamics) ,Chemical substance ,Materials science ,Polymers and Plastics ,Metals and Alloys ,Thermodynamics ,02 engineering and technology ,021001 nanoscience & nanotechnology ,01 natural sciences ,Multi-objective optimization ,Electronic, Optical and Magnetic Materials ,Stacking-fault energy ,Martensite ,0103 physical sciences ,Ceramics and Composites ,0210 nano-technology ,CALPHAD - Abstract
Medium-Mn steels are being thoroughly investigated as potential candidates for the 3rd generation of advanced high strength steels. Despite the wide experimental work, limited attempts have been presented to systematically optimize the chemical composition and heat treatment process to obtain desired microstructural features. In the present work, CALPHAD-based thermodynamic and kinetic modeling, coupled with multi-objective genetic optimization was adopted for the development of δ-ferrite containing medium-Mn steels with optimized microstructure, meeting set design requirements associated with retained austenite fraction and stability. A new sub-regular solution model for the prediction of the austenite stacking fault energy (SFE) was developed and compared to experimental literature data. A MATLAB implementation of the SFE model is provided as supplementary material. Pareto optimal compositions and associated process windows were identified via thermodynamic modeling coupled with the NSGA-II algorithm. A single optimized steel was selected for further consideration through kinetic simulation of the entire process chain including solidification, hot-rolling, accelerated cooling, quenching, and intercritical annealing, considering the effect of δ-ferrite on retained austenite stability and the martensite to austenite transformation kinetics. Temporal optimization resulted in the selection of an optimal intercritical annealing time. Model predictions were validated with metallographic observations on two different δ-ferrite containing medium-Mn steels, revealing excellent agreement between predicted and observed phase fractions.
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- 2020
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288. Helical Carbenium Ion: A Versatile Organic Photoredox Catalyst for Red-Light-Mediated Reactions
- Author
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Thomas L. Gianetti, Liangyong l Mei, and José M. Veleta
- Subjects
Chemical substance ,Quenching (fluorescence) ,Chemistry ,General Chemistry ,010402 general chemistry ,Photochemistry ,01 natural sciences ,Biochemistry ,Catalysis ,0104 chemical sciences ,Carbenium ion ,chemistry.chemical_compound ,Colloid and Surface Chemistry ,Low energy ,Red light ,Health risk ,Penetration depth - Abstract
Red light has the advantages of low energy, less health risk and high penetration depth through various media. Herein, a helical carbenium ion (N,N’-di-n-propyl-1,13-dimethoxyquinacridinium (nPr-DM...
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- 2020
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- View/download PDF
289. Semi-physical state and parameter estimation of diesel combustion phases for real-time applications
- Author
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Rolf Isermann and Alexander Weber
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Imagination ,Chemical substance ,Computer science ,Estimation theory ,Mechanical Engineering ,media_common.quotation_subject ,Burn out ,Aerospace Engineering ,Ocean Engineering ,Diesel combustion ,Search engine ,Control theory ,Automotive Engineering ,State (computer science) ,Physics::Chemical Physics ,Physics::Atmospheric and Oceanic Physics ,media_common - Abstract
A model-based methodology is presented, which allows the estimation of the characteristic phases of diesel combustion using a semi-physical model approach combined with state and parameter estimation through extended Kalman filtering. The physical relation between the fuel injection and the characteristic diesel combustion phases, such as premixed, diffusive combustion and burn-out, are modeled separately by linear dynamic transfer functions formulated in crank angle frequency domain and transformed into state space representation. The resulting state variables are the released burning energy and its derivatives of each combustion phase. Associated crank angle constants determine the dynamics of the combustion phases and represent the rate parameters to be estimated. By incorporating further physical assumptions regarding the fuel path and air–fuel-mixing dynamics, the combustion phase parameters are estimated online for each working cycle. Cylinder pressure signals and online combustion analysis are used to determine the burn rate of the diesel engine at the test bench. Investigations have shown that the estimated rate parameters depend on the current engine operation point. They are estimated during measurements and stored in lookup tables through an online-learning method based on a fast recursive least squares estimation algorithm.
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- 2020
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290. Predicting the Parabolic Rate Constants of High-Temperature Oxidation of Ti Alloys Using Machine Learning
- Author
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Somesh Kr. Bhattacharya, Takayuki Narushima, and Ryoji Sahara
- Subjects
Imagination ,Chemical substance ,Materials science ,020209 energy ,media_common.quotation_subject ,Alloy ,02 engineering and technology ,engineering.material ,Machine learning ,computer.software_genre ,01 natural sciences ,law.invention ,Inorganic Chemistry ,Reaction rate constant ,Magazine ,law ,Phase (matter) ,0103 physical sciences ,0202 electrical engineering, electronic engineering, information engineering ,Materials Chemistry ,media_common ,010302 applied physics ,business.industry ,Metals and Alloys ,Titanium alloy ,engineering ,Artificial intelligence ,Science, technology and society ,business ,computer - Abstract
In this study, we attempt to build a statistical (machine) learning model to predict the parabolic rate constant $$(k_{\text{P}} )$$ for the high-temperature oxidation of Ti alloys. Exploring the experimental studies on high-temperature oxidation of Ti alloys, we built our dataset for machine learning. Apart from the alloy composition, we included the constituent phase of the alloy, temperature of oxidation, time for oxidation, oxygen and moisture content, remaining atmosphere (gas except O2 gas in dry atmosphere), and mode of oxidation testing as the independent features while the parabolic rate constant $$(k_{\text{P}} )$$ is set as the target feature. We employed three different ML models to predict the ‘ $$k_{\text{P}}$$ ’ for Ti alloys. Among the regression models, the gradient boosting regressor yields the coefficient of determination (R2) of 0.92 for $$k_{\text{P}}$$ . The knowledge gained from this study can be used to design novel Ti alloys with excellent resistance towards high-temperature oxidation.
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- 2020
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291. Supermetallophobic Functional Coatings Based on Silicate Clays and a Method To Pattern Liquid Metals
- Author
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Han Zheng, Jing Liu, Tian-Ying Liu, Qian Li, Shijin Dong, and Ju Lin
- Subjects
Liquid metal ,Chemical substance ,Materials science ,technology, industry, and agriculture ,Adhesion ,engineering.material ,Surface energy ,Silicate ,Electronic, Optical and Magnetic Materials ,law.invention ,chemistry.chemical_compound ,Chemical engineering ,Magazine ,Coating ,chemistry ,law ,Materials Chemistry ,Electrochemistry ,engineering ,Science, technology and society - Abstract
A convenient and easy approach to fabricate a coating capable of preventing adhesion of Ga-based liquid metal alloys (often containing a surface oxide “skin” adhering to substrates even with low su...
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- 2020
- Full Text
- View/download PDF
292. xOPBE: A Specialized Functional for Accurate Prediction of 13C Chemical Shifts
- Author
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Qing Ye, Chao Yin, Xin Xu, Anan Wu, and Jinkun Zhang
- Subjects
Chemical substance ,010304 chemical physics ,Chemistry ,Chemical shift ,0103 physical sciences ,Overall performance ,Physical and Theoretical Chemistry ,010402 general chemistry ,Biological system ,01 natural sciences ,Basis set ,0104 chemical sciences ,Hybrid functional - Abstract
In this study, we present a new hybrid functional denoted as xOPBE, which is optimized at the 6-311+G(2d,p) basis set and designed with a specific aim of providing accurate 13C chemical shifts. By mixing the Hartree-Fock exchange into the OPBE functional, xOPBE provides a significantly improved overall performance as compared to its parent OPBE functional, while OPBE was shown previously as an excellent functional for 13C chemical shifts. Even in the case of the 1-adamantyl cation, for which OPBE completely fails in reproducing the experimental results, xOPBE still performs very well with similar accuracy as the standard CCSD(T) method with a large basis set. Our results also demonstrate that xOPBE not only can improve quantitatively the description of the correct assignments given by OPBE but also can revert OPBE's incorrect assignments qualitatively. Thus, we would like to recommend the use of xOPBE for routine evaluations of 13C chemical shifts.
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- 2020
- Full Text
- View/download PDF
293. ZIF-8@Poly(ionic liquid)-Grafted Cotton Cloth for Switchable Water/Oil Emulsion Separation
- Author
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Yingjie Zhou, Xu Ou, Qinbo Liu, Feng Yan, Yinghui Yuan, Jiangna Guo, and Yongyuan Ren
- Subjects
In situ ,Materials science ,Chemical substance ,Polymers and Plastics ,Process Chemistry and Technology ,Organic Chemistry ,Nanoparticle ,Grafting ,law.invention ,Cotton cloth ,chemistry.chemical_compound ,chemistry ,Chemical engineering ,Magazine ,law ,Ionic liquid ,Science, technology and society - Abstract
It is highly challenging to separate stabilized water/oil emulsions with sizes below 20 μm. Here, we propose a simple and scalable process via the in situ grafting of ZIF-8 nanoparticles and a poly...
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- 2020
- Full Text
- View/download PDF
294. Evaluation of Nitrogen-Based Polymeric Heterogeneous Catalysts for the Suzuki–Miyaura Cross-Coupling Reaction in Water
- Author
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Myeong Yeon Lee, Sosan Hwang, Min Gyu Song, Sang Eun Shim, Jae Il So, Sung-Hyeon Baeck, and Yingjie Qian
- Subjects
Green chemistry ,Imagination ,Chemical substance ,Materials science ,Polymers and Plastics ,Process Chemistry and Technology ,media_common.quotation_subject ,Organic Chemistry ,chemistry.chemical_element ,Nitrogen ,Coupling reaction ,Catalysis ,chemistry ,Chemical engineering ,Science, technology and society ,media_common - Abstract
As environmental issues continuously increase, the development of effective and eco-friendly catalytic systems in organic chemistry is of great importance. To achieve this goal, two representative ...
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- 2020
- Full Text
- View/download PDF
295. Better Charge Separation in CuO Nanowire Array Photocathodes: Micro-/Nanostructure Regulation for Photoelectrochemical Reaction
- Author
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Xiangrui Meng, Yongbo Kuang, Yang Zhou, Zhenfan Sun, Yufeng Cao, Xin Ni, and Deyu Liu
- Subjects
Imagination ,Thesaurus (information retrieval) ,Materials science ,Chemical substance ,Charge separation ,media_common.quotation_subject ,Nanowire ,Energy Engineering and Power Technology ,Nanotechnology ,Micro nanostructure ,Search engine ,Hardware_INTEGRATEDCIRCUITS ,Materials Chemistry ,Electrochemistry ,Chemical Engineering (miscellaneous) ,Electrical and Electronic Engineering ,Science, technology and society ,media_common - Abstract
Geometrical optimization of nanowire arrays (NWAs) has been regarded as a straightforward and important route to improve the performance for photoelectrocatalytic systems but has not been realized ...
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- 2020
- Full Text
- View/download PDF
296. Theoretical Investigation of Single and Double Transition Metals Anchored on Graphyne Monolayer for Nitrogen Reduction Reaction
- Author
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Chenghua Sun, Lakshitha Jasin Arachchige, Feng Wang, Dai Zhongxu, Yongjun Xu, and Xiaoli Zhang
- Subjects
Chemical substance ,Materials science ,chemistry.chemical_element ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,Redox ,Nitrogen ,0104 chemical sciences ,Surfaces, Coatings and Films ,Electronic, Optical and Magnetic Materials ,Graphyne ,Ammonia ,chemistry.chemical_compound ,General Energy ,chemistry ,Transition metal ,Chemical engineering ,Monolayer ,Physical and Theoretical Chemistry ,0210 nano-technology ,Science, technology and society - Abstract
In contrast to the energy-extensive Haber–Bosch process, green production of ammonia (NH3) at ambient conditions remains as one of the main goals of the 21st century. In this work, we systematicall...
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- 2020
- Full Text
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297. Thermo‐electro‐optic energy conversion using plasmonic island embedded silicon microring circuit
- Author
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Nithiroth Pornsuwancharoen, Phichai Youplao, Preecha P. Yupapin, M. Bunruangses, Iraj Sadegh Amiri, and Suphanchai Punthawanunt
- Subjects
Imagination ,Thesaurus (information retrieval) ,Materials science ,Chemical substance ,Silicon ,business.industry ,media_common.quotation_subject ,chemistry.chemical_element ,Condensed Matter Physics ,Atomic and Molecular Physics, and Optics ,Electronic, Optical and Magnetic Materials ,Search engine ,chemistry ,Optoelectronics ,Energy transformation ,Electrical and Electronic Engineering ,business ,Science, technology and society ,Plasmon ,media_common - Published
- 2020
- Full Text
- View/download PDF
298. Complementary Hybrid Semiconducting Superlattices with Multiple Channels and Mutual Stabilization
- Author
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Jong Chan Kim, Nguyen Van Long, Minho Yoon, Sang Uck Lee, Chi Ho Lee, Chu Thi Thu Huong, Jae Kyeong Jeong, Sungju Choi, Myung Mo Sung, Min Jae Kim, and Dae Hwan Kim
- Subjects
Materials science ,Chemical substance ,business.industry ,Mechanical Engineering ,Superlattice ,Transistor ,Bioengineering ,02 engineering and technology ,General Chemistry ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,Amorphous solid ,law.invention ,law ,Monolayer ,Optoelectronics ,General Materials Science ,Field-effect transistor ,0210 nano-technology ,business ,Science, technology and society ,Quantum well - Abstract
An organic-inorganic hybrid superlattice with near perfect synergistic integration of organic and inorganic constituents was developed to produce properties vastly superior to those of either moiety alone. The complementary hybrid superlattice is composed of multiple quantum wells of 4-mercaptophenol organic monolayers and amorphous ZnO nanolayers. Within the superlattice, multichannel formation was demonstrated at the organic-inorganic interfaces to produce an excellent-performance field effect transistor exhibiting outstanding field-effect mobility with band-like transport and steep subthreshold swing. Furthermore, mutual stabilizations between organic monolayers and ZnO effectively reduced the performance degradation notorious in exclusively organic and ZnO transistors.
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- 2020
- Full Text
- View/download PDF
299. Highly Flexible Transparent Micromesh Electrodes via Blade-Coated Polymer Networks for Organic Light-Emitting Diodes
- Author
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Jonathan Ting, Juan Zhu, Ana Claudia Arias, Shixuan Du, Donggeon Han, and Xiaodong Wu
- Subjects
chemistry.chemical_classification ,Materials science ,Fabrication ,Chemical substance ,business.industry ,02 engineering and technology ,Polymer ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,0104 chemical sciences ,chemistry ,Electrode ,OLED ,Optoelectronics ,General Materials Science ,Thin film ,0210 nano-technology ,Science, technology and society ,business ,Electrical conductor - Abstract
The availability of transparent conductive thin films that exhibit mechanical flexibility and are adapted to low-cost and large-area fabrication is a major obstacle for high-performance flexible thin-film optoelectronics. Here, by combining printing, thin-film deposition, and wet-etching processes, interconnected transparent metal micromesh (TMM) electrodes are reported. Blade-coating is used to generate self-assembled polymer micromesh networks on flexible substrates. The network structures are subsequently converted into conductive metal networks. As-fabricated TMM films display a surface roughness of around 20 nm with thickness down to 50 nm. A transmittance of 86% and a conductance of 80 Ω sq
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- 2020
- Full Text
- View/download PDF
300. Nanomaterials for detection of primary aromatic amine derivatives based on a fluorescent probe
- Author
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Yu Jeong Lee, Seung Woo Lee, In Soo Kang, and Yo Seob Shin
- Subjects
chemistry.chemical_classification ,Primary (chemistry) ,Chemical substance ,Chemical structure ,Aromatic amine ,02 engineering and technology ,General Chemistry ,equipment and supplies ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,01 natural sciences ,Aldehyde ,Combinatorial chemistry ,Fluorescence ,0104 chemical sciences ,Nanomaterials ,chemistry ,Moiety ,General Materials Science ,0210 nano-technology ,human activities - Abstract
The fluorescent trans-styrylbenzene with an aldehyde moiety as the biding site, (E)-4-styrylbenzaldehyde, was synthesized and the chemical structure was measured by 1H nuclear magnetic resonance (N...
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- 2020
- Full Text
- View/download PDF
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