2,282 results
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2. Electron-irradiation-induced reinforcement of reduced graphene oxide papers
- Author
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Jin, Enze, He, Jianying, Sheng, Kaixuan, Zhang, Zhiliang, Shi, Gaoquan, and Zheng, Quanshui
- Published
- 2013
- Full Text
- View/download PDF
3. Effect of heat treatment on the structure, piezoelectricity and actuation behavior of a cellulose electroactive-paper actuator
- Author
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Mahadeva, Suresha K., Lee, Sang-Woo, and Kim, Jaehwan
- Published
- 2008
- Full Text
- View/download PDF
4. Estimation of microstructural properties from synchrotron X-ray microtomography and determination of the REV in paper materials
- Author
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Rolland du Roscoat, S., Decain, M., Thibault, X., Geindreau, C., and Bloch, J.-F.
- Published
- 2007
- Full Text
- View/download PDF
5. Fifty years of materials research papers through the pages of Acta Metallurgica/Materialia
- Author
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Cahn, R.W.
- Published
- 2003
- Full Text
- View/download PDF
6. Electron-irradiation-induced reinforcement of reduced graphene oxide papers
- Author
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Kaixuan Sheng, Quanshui Zheng, Zhiliang Zhang, Gaoquan Shi, Enze Jin, and Jianying He
- Subjects
Materials science ,Polymers and Plastics ,Graphene ,Metals and Alloys ,Oxide ,Nanotechnology ,Electronic, Optical and Magnetic Materials ,law.invention ,chemistry.chemical_compound ,Chemical engineering ,chemistry ,law ,Ceramics and Composites ,Electron beam processing ,Graphite ,Irradiation ,Wigner effect ,Graphene nanoribbons ,Graphene oxide paper - Abstract
Here we show that the graphene sheets in reduced graphene oxide papers (rGOPs) can be cross-linked by electron-irradiation-induced sp 3 carbon atoms, resulting in significant enhancements in both the mechanical and electrical properties compared to unirradiated rGOPs. We find that the residual oxygen-containing functional groups in rGOPs are removed during irradiation. We also observe that the Wigner energy release temperature in rGOPs is 102–188 °C, which is lower than that (∼200 °C) in pure graphite. The mechanisms to form sp 3 cross-links and the evolutions of sp 3 carbon atoms under irradiation are revealed through molecular dynamics simulations.
- Published
- 2013
7. Recent progress in thin film epitaxy across the misfit scale (2011 Acta Gold Medal Paper)
- Author
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Jagdish Narayan
- Subjects
Materials science ,Polymers and Plastics ,Condensed matter physics ,Film plane ,Metals and Alloys ,Nucleation ,Heterojunction ,Epitaxy ,Electronic, Optical and Magnetic Materials ,Stress (mechanics) ,Crystallography ,Ceramics and Composites ,Thin film ,Dislocation ,Order of magnitude - Abstract
This paper discusses recent progress in thin film epitaxy across the misfit scale through the paradigm of domain matching epitaxy (DME). This epitaxy across the misfit scale is critical for integrating multifunctionality on a chip and creating smart structures for next-generation solid-state devices. There are three sources of strains that are cumulative at the growth temperature, and the relaxation process starts during the growth process. Upon cooling, unrelaxed lattice, thermal and defect strains give rise to net residual strains. In large misfit ( e ⩾ 10%) systems, where lattice misfit strain is predominant, it can be relaxed completely, and then only thermal and defect strains remain upon cooling. In low misfit systems, all three sources contribute to the residual strain upon cooling, as result of incomplete lattice relaxation. The predominant strain relaxation mechanism in thin films is by nucleation of dislocations at the free surface, as the nucleation energy in the bulk is considerably higher. At the free surface, the activation barrier for dislocation nucleation is considerably lower at the steps. Since the step formation energy is lower under a compressive stress compared with tensile stress, it reduces nucleation energy under compressive stress and lowers the critical thickness compared with tensile stresses in thin films. Once the dislocation nucleates, it propagates or glides to the interface to relieve the strain. However, if lattice frictional stress in the film is high, most dislocations may not reach the interface, depending upon the growth temperature and rate. Thus, these two key steps, dislocation nucleation and propagation, play a critical role in the thin film relaxation process. Once the dislocations reach the interface, the atomic structure of the dislocation at the heterointerfaces determines its electronic properties, specifically trapping and recombination characteristics. It is found that the atomic structure of the dislocation is determined by the interplay between strain and chemical free energies. Thus, the dislocations (representing missing or extra planes) play a critical role in the relaxation of thin film heterostructures. This paper focuses on epitaxy across the misfit scale, based upon matching of integral multiples of lattice planes. If the misfit falls between the integral multiples, it is accommodated by the principle of domain variation, where domains alternate to accommodate the misfit. Details of epitaxy from low misfit (∼4%) in Ge/Si) to large misfit (∼22%) in TiN/Si are shown. In III-nitride/sapphire and II-oxide/sapphire systems, this paper deals with polar orientations, where misfit is uniform in the basal plane, and non-polar orientations, where misfit varies over an order of magnitude in the film plane. It is shown that the DME paradigm is key to the integration of thin film heterostructures across the misfit scale and other complex systems such as vanadium oxide and PZT systems on Si(1 0 0) substrates for the integration of functionalities on a computer chip. Finally, it is shown that the formation of epitaxial and self-assembled nanodots on Si(1 0 0) provides a critical advance, with tremendous implications for information and data storage and related nanomagnetics applications.
- Published
- 2013
8. Effect of heat treatment on the structure, piezoelectricity and actuation behavior of a cellulose electroactive-paper actuator
- Author
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Jaehwan Kim, Suresha K. Mahadeva, and Sang-Woo Lee
- Subjects
Materials science ,Piezoelectric coefficient ,Polymers and Plastics ,Infrared ,Metals and Alloys ,Infrared spectroscopy ,Piezoelectricity ,Electronic, Optical and Magnetic Materials ,law.invention ,law ,Ceramics and Composites ,Composite material ,Crystallization ,Actuator ,Spectroscopy ,Displacement (fluid) - Abstract
The effect of heat treatment on the structure, piezoelectricity and actuation behavior of cellulose electroactive-paper actuators was studied by infrared spectroscopy, piezoelectricity measurement and the tip displacement test. After heat treatment at 60 °C for 2 h, the piezoelectric coefficient ( d 31 ) was enhanced nearly 10-fold as compared to that of non-heat-treated films. However, when the treatment temperature was raised above 60 °C the piezoelectric coefficients were higher than the non-treated film but lower than that of film treated at 60 °C. Infrared and UV–visible spectroscopy suggested that there were changes in chemical structure at higher treatment temperatures. Furthermore, the tip displacement tests performed on the actuators also showed almost same trend as that of the piezoelectric constant.
- Published
- 2008
9. Fifty years of materials research papers through the pages of Acta Metallurgica/Materialia
- Author
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R.W. Cahn
- Subjects
Materials science ,Polymers and Plastics ,Metals and Alloys ,Ceramics and Composites ,Library science ,Electronic, Optical and Magnetic Materials - Abstract
This paper is focussed on a comparison of the contents of volumes 1 (1953) and 50 (2002) of Acta Metallurgica/Materialia, with the aim of analysing the nature of the change as regards both the numbers and locations of the authors, and the subject-matter covered by the published papers. While much has changed drastically over the past half-century, the basic principles laid down by the first editor and his advisers have not changed in essence.
- Published
- 2003
10. Kinetics of interfaces during diffusional transformations1F. D. Fischer dedicates this paper to Prof. D. Gross, Darmstadt, on the occasion of his 60th anniversary.1
- Author
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Ernst Gamsjäger, Peter Fratzl, Franz Dieter Fischer, N. K. Simha, and Jiri Svoboda
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Materials science ,Polymers and Plastics ,Kinetics ,Analytical technique ,Metals and Alloys ,Finite difference ,Thermodynamics ,Microstructure ,Electronic, Optical and Magnetic Materials ,Ferrite (iron) ,Volume fraction ,Ceramics and Composites ,Boundary value problem ,Diffusion (business) - Abstract
At high temperatures diffusion of components and migration of interfaces are activated in solid state systems. The microstructure evolves due to these processes, and both the volume fraction and chemical composition of the individual phases change. In this paper we formulate a boundary value problem for the microstructural evolution during a diffusional transformation in a binary alloy. We clarify the chemical and mechanical contributions to the thermodynamic driving force on the interface and derive the boundary condition that is implied by interface kinetics for solute diffusion in the bulk. By applying this framework, the consequences of (non-equilibrium) interface kinetics on the microstructure evolution during the ferrite transformation in low-carbon steels is predicted using both a novel analytical technique and a finite difference numerical method.
- Published
- 2001
11. Solute drag, solute trapping and diffusional dissipation of Gibbs energy11This paper is based on the Hume–Rothery Lecture presented at the 128th TMS Annual Meeting, 1 March 1999, San Diego, U.S.A
- Author
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Mats Hillert
- Subjects
Austenite ,Materials science ,Polymers and Plastics ,Mathematical model ,Metals and Alloys ,Thermodynamics ,Dissipation ,Electronic, Optical and Magnetic Materials ,Gibbs free energy ,symbols.namesake ,Phase (matter) ,Solvent drag ,Ceramics and Composites ,symbols ,Grain boundary ,Diffusion (business) - Abstract
There are several phenomena that depend on the interaction between solute atoms and migrating grain boundaries or phase interfaces. In order to explain them several models have been proposed and these are now reviewed. There are two approaches to this problem: the solute drag approach and the Gibbs energy dissipation approach. The latter has often been applied to a sharp interface model resulting in a treatment that is in accord with expectations from irreversible thermodynamics. When applied to the homogeneous interface model there are problems at high velocities. When applied to a wedge-shaped description of the properties of the interface, a very flexible treatment is obtained but it is difficult to decide how to choose the model parameters. The application of the solute drag approach to phase transformations is discussed. It is postulated that it should give the same result as the dissipation approach and this can be proved in simple cases. Applications to massive transformation, the effect of alloying elements on the formation of ferrite from austenite and DIGM are discussed.
- Published
- 1999
12. Hot-pressing of magnesium aluminate spinel—I. Kinetics and densification mechanism1This paper is based in part on the thesis submitted by C.-J. Ting in 1997 to National Sun Yat-Sen University in partial fulfilment of the requirements for Ph.D.1
- Author
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Hong-Yang Lu and Ching-Jui Ting
- Subjects
Materials science ,Polymers and Plastics ,Effective stress ,Diffusion ,Spinel ,Metals and Alloys ,Mineralogy ,Thermodynamics ,engineering.material ,Hot pressing ,Electronic, Optical and Magnetic Materials ,Stress (mechanics) ,Creep ,Deformation mechanism ,Hot isostatic pressing ,Ceramics and Composites ,engineering - Abstract
Deformation mechanisms in steady-state creep are adopted to interpret the rate-determining mechanism in the hot-pressing of the MgO-excess, near-stoichiometric, and Al 2 O 3 -excess compositions of magnesium aluminate (MgAl 2 O 4 ) spinel. Effective stress has been modified to account for stress multiplication arising from the sintering of porous powder compacts. Stress exponents of n =1.5 to n =3–4.3, and activation enthalpies of Δ H ≈495 kJ/mol for a high-stress regime and 473 kJ/mol for a low-stress regime suggest that the rate-controlling mechanism transits from a climb-controlled dislocation mechanism in the beginning to diffusion controlled by oxygen diffusion in the later stage. The transition stress decreases with the content of Al 2 O 3 . Calculated creep rates and grain-size exponent of p ≈2 further suggest that the Nabarro–Herring creep dominates the densification in low-stress regimes. Sigmoidal hot-pressing curves observed in Al 2 O 3 -excess compositions are characterized by the zero-densification-rate period, which represents the incubation time required for the recovery of hardened microstructure. Similar to the stress-dip test, the zero-densification-rate period is originated from the decreasing effective stress during hot-pressing. The internal stress accumulated upon hot-pressing exceeds the decreasing effective stress and results in the incubation time.
- Published
- 1999
13. Hot-pressing of magnesium aluminate spinel—II. Microstructure development1This paper is based in part on the thesis submitted by C.-J. Ting in 1997 to National Sun Yat-Sen University in partial fulfilment of the requirements for Ph.D.1
- Author
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C.-J. Ting and Hong-Yang Lu
- Subjects
Dislocation creep ,Materials science ,Polymers and Plastics ,Spinel ,Metallurgy ,Metals and Alloys ,chemistry.chemical_element ,engineering.material ,Microstructure ,Hot pressing ,Electronic, Optical and Magnetic Materials ,chemistry ,Creep ,Aluminium ,Ceramics and Composites ,engineering ,Substructure ,Dislocation - Abstract
The microstructure of hot-pressed MgAl2O4 spinel has been analysed by TEM. The dislocation substructure evidently supports that densification occurs by the dislocation mechanism as suggested from kinetic results. Dislocations are generated predominantly at the beginning of hot-pressing due to high effective stresses concentrated in the neck region. When powder compact is being densified, strain-hardening and recovery iteratively occur resulting in both the hardened and recovery microstructure. Subgrain boundary and dislocation network are characteristic of hot-pressed samples of the three compositions studied. The dislocation network grows its link-length as hot-pressing proceeds. The increase of the link-length in the dislocation network suggests a network growth model similar to the steady-state creep of aluminium and MgO. The corresponding stages of its development in the hot-pressing kinetic curve are designated on the basis of microstructure observations. A schematic illustration of microstructure development upon hot-pressing is proposed and its correlation to the densification kinetics attempted.
- Published
- 1999
14. Three-dimensional modeling of indent-induced plastic zone at a mesoscale1This paper is dedicated to Gilles Canova whose untimely death occurred on 28 July 1997 at the age of 43.1
- Author
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C. Robertson, Marc Fivel, G R Canova, and L Boulanger
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Materials science ,Polymers and Plastics ,Metals and Alloys ,Nucleation ,Mineralogy ,Mechanics ,Plasticity ,Nanoindentation ,Physics::Classical Physics ,Indentation hardness ,Finite element method ,Electronic, Optical and Magnetic Materials ,Condensed Matter::Materials Science ,Indentation ,Ceramics and Composites ,Boundary value problem ,Single crystal - Abstract
In order to better understand how an indent-induced plastic zone forms, the experimental conditions associated with nanoindentation testing on f.c.c. crystals are modeled, using a combination of three- dimensional discrete dislocation simulation and the finite element method (FEM). At each stage of the loading, the FEM elastic solution enforcing the boundary conditions is superimposed to the infinite medium elastic solution of the discrete dislocations. The plastic character of the indented material is accounted for by relaxing the elastic loading stresses through both the introduction of new nucleated discrete dislocations (loops) and their motion within the sample. Transmission Electron Microscopy observations of the indent-induced plastic volume and analysis of the experimental loading curve help in defining a complete set of nucleation rules. A validation of the model is performed through direct comparisons between a simulation of a nanoindentation test on a [001] copper single crystal and the same experimental indentation.
- Published
- 1998
15. Introduction to the following papers presented at the Symposium “Computational Thermodynamics and Materials Design”
- Author
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Inden, G, primary
- Published
- 2002
- Full Text
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16. Kinetics of interfaces during diffusional transformations1F. D. Fischer dedicates this paper to Prof. D. Gross, Darmstadt, on the occasion of his 60th anniversary.1
- Author
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Svoboda, J, primary, Fischer, F.D, additional, Fratzl, P, additional, Gamsjäger, E, additional, and Simha, N.K, additional
- Published
- 2001
- Full Text
- View/download PDF
17. Solute drag, solute trapping and diffusional dissipation of Gibbs energy11This paper is based on the Hume–Rothery Lecture presented at the 128th TMS Annual Meeting, 1 March 1999, San Diego, U.S.A.
- Author
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Hillert, Mats, primary
- Published
- 1999
- Full Text
- View/download PDF
18. Hot-pressing of magnesium aluminate spinel—II. Microstructure development1This paper is based in part on the thesis submitted by C.-J. Ting in 1997 to National Sun Yat-Sen University in partial fulfilment of the requirements for Ph.D.1
- Author
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Ting, C.-J., primary and Lu, H.-Y., additional
- Published
- 1999
- Full Text
- View/download PDF
19. Hot-pressing of magnesium aluminate spinel—I. Kinetics and densification mechanism1This paper is based in part on the thesis submitted by C.-J. Ting in 1997 to National Sun Yat-Sen University in partial fulfilment of the requirements for Ph.D.1
- Author
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Ting, Ching-Jui, primary and Lu, Hong-Yang, additional
- Published
- 1999
- Full Text
- View/download PDF
20. Three-dimensional modeling of indent-induced plastic zone at a mesoscale1This paper is dedicated to Gilles Canova whose untimely death occurred on 28 July 1997 at the age of 43.1
- Author
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Fivel, M.C, primary, Robertson, C.F, additional, Canova, G.R, additional, and Boulanger, L, additional
- Published
- 1998
- Full Text
- View/download PDF
21. Call for Papers
- Published
- 2007
- Full Text
- View/download PDF
22. Enhanced cycling stability of Li-rich nanotube cathodes by 3D graphene hierarchical architectures for Li-ion batteries
- Author
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Libo Deng, Maosheng Wu, Peixin Zhang, Xiangzhong Ren, Dingtao Ma, and Yongliang Li
- Subjects
Nanotube ,Materials science ,Polymers and Plastics ,Graphene ,Composite number ,Metals and Alloys ,Oxide ,Nanotechnology ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,Electrospinning ,Cathode ,0104 chemical sciences ,Electronic, Optical and Magnetic Materials ,Ion ,law.invention ,chemistry.chemical_compound ,chemistry ,law ,Ceramics and Composites ,0210 nano-technology ,Graphene oxide paper - Abstract
A hybrid composite of Li1.2Mn0.54Ni0.13Co0.13O2 nanotubes (LMNCO NTs) wrapped with reduced graphene oxide (RGO) nanosheets (LMNCO@RGO) was prepared as cathode for lithium-ion batteries. The discharge capacity of the LMNCO@RGO composite is only reducing 3.5% after 100 cycles at 1 C. Such composite which simultaneously combines a high surface area of LMNCO NTs with shorten ionic diffusion pathway and high conductivity of 3D graphene hierarchical architectures as well as structural protection layers, displaying a good cycling stability.
- Published
- 2016
23. Direct synthesis of highly conducting graphene nanoribbon thin films from graphene ridges and wrinkles
- Author
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Arash Akbari-Sharbaf, Giovanni Fanchini, Sabastine Ezugwu, Jaewoo Park, and Reg Bauld
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Materials science ,Polymers and Plastics ,Graphene ,Graphene foam ,Metals and Alloys ,Nanotechnology ,02 engineering and technology ,Substrate (electronics) ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,0104 chemical sciences ,Electronic, Optical and Magnetic Materials ,law.invention ,Sputtering ,law ,Etching (microfabrication) ,Ceramics and Composites ,Thin film ,0210 nano-technology ,Graphene nanoribbons ,Graphene oxide paper - Abstract
We introduce a facile fabrication process for obtaining graphene nanoribbon (GNR) thin films on any substrate from solution-exfoliated graphene flakes with wrinkles or ridges. Copper nanoparticles (Cu-np's) grown on graphene films by radio-frequency sputtering adhere well on flat graphene surfaces, but not on graphene wrinkles and ridges. By etching the Cu-np's in nitric acid, we can remove the largest portions of flat graphene flakes, leaving behind only ridges and wrinkles as individual GNRs. The resulting GNRs are remarkably long and straight and, different from those obtained from graphene with other methods, are not oxidized. Two classes of GNRs are formed in our films: wide GNRs from planar ridges and narrow and straight GNRs from vertical wrinkles. Our GNR still retain the excellent electrical conductivity of pristine graphene.
- Published
- 2016
24. Carbon out-diffusion mechanism for direct graphene growth on a silicon surface
- Author
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Jong Min Kim, Jong Woon Lee, Won-Jae Joo, Dongmok Whang, Yamujin Jang, Sungwoo Hwang, Jung Inn Sohn, Byung-Sung Kim, Soon Hyung Choi, and SeungNam Cha
- Subjects
Materials science ,Polymers and Plastics ,Silicon ,Annealing (metallurgy) ,business.industry ,Graphene ,Graphene foam ,Metals and Alloys ,chemistry.chemical_element ,Nanotechnology ,Chemical vapor deposition ,Electronic, Optical and Magnetic Materials ,law.invention ,Semiconductor ,Chemical engineering ,chemistry ,law ,Ceramics and Composites ,business ,Graphene nanoribbons ,Graphene oxide paper - Abstract
Direct growth of graphene on silicon (Si) through chemical vapor deposition has predominantly focused on surface-mediated processes due to the low carbon (C) solubility in Si. However, a considerable quantity of C atoms was incorporated in Si and formed Si1−xCx alloy with a reduced lattice dimension even in the initial stage of direct graphene growth. Subsequent high temperature annealing promoted active C out-diffusion, resulting in the formation of a graphitic layer on the Si surface. Furthermore, the significantly low thermal conductivity of the Si1−xCx alloy shows that the incorporated C atoms affect the properties of a semiconductor adjacent to the graphene. These findings provide a key guideline for controlling desirable properties of graphene and designing hybrid semiconductor/graphene architectures for various applications.
- Published
- 2015
25. Response of 11B enriched ZrB2 ultra-high temperature ceramic to neutron irradiation at elevated temperatures
- Author
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Lin, Yan-Ru, Koyanagi, Takaaki, Sprouster, David J., Petrie, Christian M., Fahrenholtz, William, Hilmas, Greg E., and Katoh, Yutai
- Published
- 2024
- Full Text
- View/download PDF
26. Application of finite element, phase-field, and CALPHAD-based methods to additive manufacturing of Ni-based superalloys.
- Author
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Keller, Trevor, Lindwall, Greta, Ghosh, Supriyo, Ma, Li, Lane, Brandon M., Zhang, Fan, Kattner, Ursula R., Lass, Eric A., Heigel, Jarred C., Idell, Yaakov, Williams, Maureen E., Allen, Andrew J., Guyer, Jonathan E., and Levine, Lyle E.
- Subjects
- *
COMPUTER simulation , *FINITE element method , *NUMERICAL analysis , *THERMOGRAPHIC paper , *X-ray diffraction - Abstract
Numerical simulations are used in this work to investigate aspects of microstructure and microsegregation during rapid solidification of a Ni-based superalloy in a laser powder bed fusion additive manufacturing process. Thermal modeling by finite element analysis simulates the laser melt pool, with surface temperatures in agreement with in situ thermographic measurements on Inconel 625. Geometric and thermal features of the simulated melt pools are extracted and used in subsequent mesoscale simulations. Solidification in the melt pool is simulated on two length scales. For the multicomponent alloy Inconel 625, microsegregation between dendrite arms is calculated using the Scheil-Gulliver solidification model and DICTRA software. Phase-field simulations, using Ni–Nb as a binary analogue to Inconel 625, produced microstructures with primary cellular/dendritic arm spacings in agreement with measured spacings in experimentally observed microstructures and a lesser extent of microsegregation than predicted by DICTRA simulations. The composition profiles are used to compare thermodynamic driving forces for nucleation against experimentally observed precipitates identified by electron and X-ray diffraction analyses. Our analysis lists the precipitates that may form from FCC phase of enriched interdendritic compositions and compares these against experimentally observed phases from 1 h heat treatments at two temperatures: stress relief at 1143 K (870 °C) or homogenization at 1423 K (1150 °C). [ABSTRACT FROM AUTHOR]
- Published
- 2017
- Full Text
- View/download PDF
27. Dendritic needle network modeling of the Columnar-to-Equiaxed transition. Part I: two dimensional formulation and comparison with theory.
- Author
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Geslin, Pierre-Antoine, Chen, Chih-Hung, Tabrizi, Amirhossein Molavi, and Karma, Alain
- Subjects
- *
DENDRITIC crystals , *TRANSIENTS (Dynamics) , *GRAIN , *NEEDLES & pins - Abstract
The columnar-to-equiaxed transition is a technologically important phenomenon that controls the grain structure in the casting of alloys. Analytical and coarse-grained models, used to investigate this transition, rely on several assumptions concerning dendrite growth kinetics and grain structures. In the first part of this two part paper, we test these assumptions using a two-dimensional (2D) dendritic needle network model that describes both the transient growth dynamics of primary, secondary and higher order branches of the dendritic network within each grain and the solutal interactions between grains that can grow with arbitrary shapes. Our results provide novel insights into the columnar-to-equiaxed transition, distinguishing between abrupt and progressive transitions with different grain structures. Furthermore, they highlight the limitations of commonly used assumptions in analytical and coarse-grained numerical models of this transition. These results are extended to 3D in part II of the paper. [ABSTRACT FROM AUTHOR]
- Published
- 2021
- Full Text
- View/download PDF
28. Effect of heavy ion irradiation dose rate and temperature on α′ precipitation in high purity Fe-18%Cr alloy
- Author
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Zhao, Yajie, Bhattacharya, Arunodaya, Pareige, Cristelle, Massey, Caleb, Zhu, Pengcheng, Poplawsky, Jonathan D., Henry, Jean, and Zinkle, Steven J.
- Published
- 2022
- Full Text
- View/download PDF
29. Geometry and energy barrier of martensite in the initial stage martensitic transformation in B19' TiNi shape memory alloy.
- Author
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Teramoto, T., Nagahira, K., and Tanaka, K.
- Subjects
- *
SHAPE memory alloys , *MARTENSITIC transformations , *ACTIVATION energy , *NONLINEAR theories , *NONLINEAR analysis , *NICKEL-titanium alloys , *STEEL welding , *AB-initio calculations - Abstract
This study addresses the selectivity of self-accommodation microstructures in the initial stage of martensitic transformation in B19' TiNi. It is known that specific habit plane variant (HPV) pairs, including { 11 1 ¯ } m type I twin planes that are called initial stage microstructure (ISM) in this study, are preferentially formed in the initial stage of martensitic transformations. To elucidate on the selectivity of the ISM, the energy barrier at the formation of the twin plane, which is the candidate for the starting point of HPV pair formation, and the geometry of the HPV pair are theoretically analyzed in this paper. Using geometrical non-linear theory analysis, the compatible twin plane which has exact twin orientation relationship can be formed in the specific five groups of HPV pair. Using ab-initio simulations and Eshelby theory analysis results, { 11 1 ¯ } m type I twin is determined to have a relatively small energy barrier among the twins in TiNi. Therefore, this paper shows that the HPV pair having a twin plane with a small energy barrier of formation and a structure that can effectively reduce the elastic strain is preferentially formed as the ISM. Image, graphical abstract [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
30. Multiscale modeling of cruciform dwell tests with the uncertainty-quantified parametrically homogenized constitutive model.
- Author
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Maloth, Thirupathi, Ozturk, Deniz, Hommer, Garrison M., Pilchak, Adam L., Stebner, Aaron P., and Ghosh, Somnath
- Subjects
- *
MULTISCALE modeling , *DIGITAL image correlation , *STRAIN gages , *SURFACE strains , *TENSILE tests - Abstract
This paper presents a novel multiscale approach for analyzing multi-axial stress-strain evolution in Ti-7Al cruciform specimens under dwell loading, through the use of an uncertainty-quantified, parametrically homogenized constitutive model (UQ-PHCM). The thermodynamically-consistent UQ-PHCM is built from rigorous upscaling of crystal plasticity FE models (CPFEM) using machine learning and uncertainty quantification. They explicitly incorporate microstructural information in the form of representative aggregated microstructural parameters (RAMPs). Uncertainty quantification accounts for uncertainty in model reduction, data sparsity and microstructural descriptors. This paper integrates advanced multiscale, multi-axial experiments with computational modeling at multiple scales to establish the UQ-PHCM as an effective tool for bridging the gap between laboratory specimen-scale experimental observations and micro-scale stresses and strains using CPFEM. The CPFEM is calibrated and validated by experimental data from surface strain measurements using digital image correlation (DIC) and grain-by-grain lattice strain measurements with in-situ far field high energy diffraction microscopy (ff-HEDM). A computational method is developed in CPFEM, to incorporate initial residual stresses consistent with measured lattice strains. The UQ-PHCM is validated with biaxial tensile dwell test results performed on the cruciform specimen with satisfactory prediction of gauge strain evolution in DIC measurements. Uncertainty in the strain field due to microstructural variability is also corroborated by the DIC measurements. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
31. A solution to the hot cracking problem for aluminium alloys manufactured by laser beam melting.
- Author
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Opprecht, Mathieu, Garandet, Jean-Paul, Roux, Guilhem, Flament, Camille, and Soulier, Mathieu
- Subjects
- *
ALUMINUM alloys , *LASER beams , *SILICON alloys , *SOLIDIFICATION , *GRAIN refinement , *MAGNESIUM - Abstract
A method to eliminate hot cracking phenomena for aluminium alloys in Laser Beam Melting (LBM) is presented in this paper, focused here on the 6061 alloy. 6061 is a precipitation-hardened aluminium alloy, containing magnesium and silicon as its major alloying elements. This alloy, commonly used in the aeronautic and automotive industries, thanks to its excellent weight to strength ratio and high thermal conductivity, is particularly prone to hot cracking, in particular during LBM processing. The solution to remove cracks proposed in the present paper is to induce grain refinement to avoid the development of large columnar structures. To this end, various quantities of Yttrium Stabilized Zirconia (YSZ) are added to an Al6061 base powder using a dry mixing (TurbulaⓇ) procedure. Experiments highlight a grain refinement effect depending on the added YSZ quantity. From 1 vol% on, SEM and EBSD images reveal an equiaxed-columnar bimodal grain microstructure. Results show that the addition of 2 vol% YSZ allows to fully avoid cracks due to a continuous equiaxed band at melt pool boudaries. Additionally, TEM and DRX investigations provide new insights into the becoming of added particles along the printing process. The experimental results are then discussed on the basis of a number of existing solidification models, with a focus on the necessary conditions for the establishment of an equiaxed solidification regime. Image, graphical abstract [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
32. A digital workflow for learning the reduced-order structure-property linkages for permeability of porous membranes.
- Author
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Yabansu, Yuksel C., Altschuh, Patrick, Hötzer, Johannes, Selzer, Michael, Nestler, Britta, and Kalidindi, Surya R.
- Subjects
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DIGITAL image correlation , *WORKFLOW software , *MEMBRANE permeability (Biology) , *WORKFLOW , *GAUSSIAN processes , *ELECTRONIC paper , *PRINCIPAL components analysis , *PERMEABILITY - Abstract
Quantitative relationships between the complex porous structure of a membrane (henceforth simply referred to as microstructure) and its effective permeability are critical for improving the performance of membranes used in filtration and separation applications. This paper presents a digital workflow for learning the porous structure-permeability linkages in membranes. The presented workflow establishes the desired linkages by bringing together recent advances in (i) digital generators for three-dimensional representative volume elements (3-D RVEs) reflecting a large and diverse set of porous structures, (ii) numerical approaches for reliable evaluation of permeability of 3D-RVEs, (iii) low dimensional representation of material internal structure using the framework of 2-point spatial correlations and principal component analyses, and (iv) Gaussian process (GP) regression with input-dependent noise (i.e., heteroscedasticity). It is seen that the digital workflow presented in this study can systematically identify the salient features of the 3-D membrane microstructure and train reduced-order heteroscedastic GP models on the data generated using digital microstructure generators and physics-based permeability simulations. It will be shown that the structure-property linkages are able to make high fidelity predictions and assessment of uncertainties for new porous membrane structures at minimal computational cost. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
33. New insights into high-temperature deformation and phase transformation mechanisms of lamellar structures in high Nb-containing TiAl alloys.
- Author
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Song, Lin, Appel, Fritz, Wang, Li, Oehring, Michael, Hu, Xingguo, Stark, Andreas, He, Junyang, Lorenz, Uwe, Zhang, Tiebang, Lin, Junpin, and Pyczak, Florian
- Subjects
- *
ALLOYS , *ELECTRON microscopy , *TITANIUM aluminides - Abstract
The paper describes the microstructure evolution by high-temperature compression of a high Nb-containing TiAl alloy. The paper extends a previous publication [Song, et al. Intermetallics 109 (2019) 91–96], in which a unique twin-like morphology in the α 2 (Ti 3 Al) phase was reported. However, the origin of these structures could not be clarified without doubt. The present study is focused on phase transformations that in this multiphase alloy can be associated with deformation. Particular attention is paid to local transformations of the α 2 phase into O phase or ω-related phases, which, because of structural and chemical similarity of these phases with α 2 , can easily occur and could mistakenly be considered as a twin structure. The details of the atomic processes involved are elucidated by electron microscopy. Given the large shufflings and the atomic site interchanges required for the operation of this twinning system, it is concluded that twinning of the α 2 phase is a diffusive-displacive process. Within the α 2 phase, ω o is heterogeneously nucleated. The nucleation sites are defect-rich areas, which are subjected to high local stresses. The study strongly emphasizes the close relationship between high-temperature deformation and phase transformations in multiphase titanium aluminide alloys. Image, graphical abstract [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
34. Direct measurements of slip irreversibility in a nickel-based superalloy using high resolution digital image correlation.
- Author
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Stinville, J.C., Callahan, P.G., Charpagne, M.A., Echlin, M.P., Valle, V., and Pollock, T.M.
- Subjects
- *
DIGITAL image correlation , *HIGH resolution imaging , *DIGITAL images , *HEAT resistant alloys , *FATIGUE cracks , *SCANNING electron microscopes - Abstract
Fatigue crack nucleation in crystalline materials typically develops due to highly localized cyclic slip. During a fatigue cycle, reverse slip differs locally from slip in the forward direction particularly in precipitate-containing materials such as superalloys. In this paper we report the first direct measurements of irreversibility at the scale of individual slip bands by high-resolution digital image correlation (DIC) in a polycrystalline nickel-based superalloy. Quantitative measurements of the slip irreversibility are challenging for regions of material that have a size that captures the microstructure and its variability. High spatial resolution at the nanometer scale during experimental measurements is needed to observe slip localization during deformation. Moreover, large fields are also needed to obtain the material response over statistically representative populations of microstructural configurations. Recently, high resolution scanning electron microscope (SEM) digital image correlation (DIC) has been extended for quantitative analysis of discontinuities induced by slip events using the Heaviside-DIC method. This novel method provides quantitative measurements of slip localization at the specimen surface. In this paper, the Heaviside-DIC method is used to measure slip irreversibility and plastic strain accumulation in a nickel-based superalloy. The method detects bands with high levels of irreversibility early in cycling that ultimately form fatigue cracks upon further cycling. The local microstructural configurations that induce large amounts of plasticity and slip irreversibility are correlated to crack nucleation locations. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
35. Active grain growth control with distributed heating.
- Author
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Zheng, Chengjian, Tan, Yixuan, Wen, John T., and Maniatty, Antoinette M.
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- *
HEATING control , *GRAIN growth , *TEMPERATURE control , *COPPER films , *FINITE element method , *ELECTRIC heating systems , *GRAIN - Abstract
Microstructure affects the physical properties and behavior of materials. While metallurgists have long studied microstructure characterization and evolution, thermo-mechanical material processing to achieve a desired microstructure remains largely experience-based. This paper presents a distributed thermal control methodology for the microstructure evolution. We consider the problem of achieving a uniform microstructure, starting from a non-uniform initial distribution. This is a common goal in material processing, as uniform microstructure implies consistent macroscopic properties. To illustrate the approach, we consider an example process with a multi-zone micro-heater array controlling the grain growth of a copper thin film. Cascaded temperature and grain-growth models characterize the process dynamics – finite element method (FEM) models the temperature field in response to the heater input, which in turn drives the microstructure evolution through a biased Monte-Carlo (MC) model. The high order combined FEM/MC model is used as the validation "truth" model. For the control design and analysis, a simplified model is developed to only capture the essential trend in the full model. Using the simplified model and dividing the copper thin film into multiple spatial zones with measurable grain statistics in each zone, we obtain a nonlinear multi-input/multi-output control design model. Using the simplified model, this paper presents the development and comparison of three control methods: 1. Direct output feedback from the measured mean local grain sizes to the heater current. 2. Model predictive control (MPC) using a finite horizon optimization to compute the required heat input at each control step. 3. Inner-outer loop control with temperature as the surrogate input for the outer loop and using the heater current to achieve the required temperature in the inner loop. All three methods achieve uniform microstructure in grain growth in the higher order FEM/MC simulation. Direct output feedback is the simplest to implement, but has the slowest convergence. MPC shows fast convergence but requires model-dependent on-line optimization. Inner-outer loop demonstrates good compromise between model-dependence and rate of convergence. [ABSTRACT FROM AUTHOR]
- Published
- 2020
- Full Text
- View/download PDF
36. Revealing the mechanism of the electron-transfer induced and enhanced intrinsic auxeticity in 2D penta-materials.
- Author
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Guan, Jintong, Wang, Zeyan, Sun, Cong, Weng, Jing, Luo, Rui, Zhao, Xiaohua, Zhang, Conglin, Guan, Qingfeng, and Kan, Erjun
- Subjects
- *
POISSON'S ratio , *CHARGE exchange , *CONDUCTION bands , *FERMI level , *VALENCE bands , *AUXETIC materials - Abstract
The intrinsic auxeticity of materials has long been attributed to their unique geometric configurations. Triggering and enhancing auxeticity presents significant challenges, as many nanomaterials display subtle auxetic effects with a negative Poisson's ratio (NPR) typically above -0.4. This paper introduces three materials with identical symmetry—two-dimensional pentagonal structures Penta-B 2 × 2 Y 2 (i.e., Penta-B 2 C 4 , Penta-B 2 N 4 , and JP-B 2 C 2 N 2)—to investigate a novel mechanism influencing material auxeticity: electron transfer. Specifically, variations in electron transfer cause Penta-B 2 N 4 and JP-B 2 C 2 N 2 to show axial auxetic effects, whereas Penta-B 2 C 4 demonstrates opposite behavior. The axial NPR of Penta-B 2 N 4 is ∼ -0.05, while for JP-B 2 C 2 N 2 , it reaches ∼-0.46, significantly surpassing that of typical intrinsic auxetic materials. This represents an increase of approximately 920 % compared to Penta-B 2 N 4. Additionally, JP-B 2 C 2 N 2 features semi-metallic properties, where the conduction band minimum (CBM) and the valence band maximum (VBM) are tangent to the Fermi level. Consequently, minor alterations in external conditions can induce a transition between semiconductor and metallic states in JP-B 2 C 2 N 2. Thus, the 2D material JP-B 2 C 2 N 2 emerges as a promising candidate for nanoelectronic and electromechanical applications. Furthermore, this study also enhances the academic understanding of auxetic properties in nanomaterials by linking their mechanical and electronic characteristics and laying a theoretical foundation for further experimental exploration of auxeticity. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
37. Microstructural and transport characteristics of triply periodic bicontinuous materials.
- Author
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Torquato, Salvatore and Kim, Jaeuk
- Subjects
- *
TORTUOSITY , *UNIT cell , *POROUS materials , *MINIMAL surfaces , *SPECTRAL energy distribution , *PERMEABILITY - Abstract
Three-dimensional (3D) bicontinuous two-phase materials are increasingly gaining interest because of their unique multifunctional characteristics and advancements in techniques to fabricate them. Because of their complex topological and structural properties, it still has been nontrivial to develop explicit microstructure-dependent formulas to predict accurately their physical properties. A primary goal of the present paper is to ascertain various microstructural and transport characteristics of five different models of triply periodic bicontinuous porous materials at a porosity ϕ 1 = 1 / 2 : those in which the two-phase interfaces are the Schwarz P, Schwarz D and Schoen G minimal surfaces as well as two different pore-channel structures. We ascertain their spectral densities, pore-size distribution functions, local volume-fraction variances, and hyperuniformity order metrics and then use this information to estimate certain effective steady-state as well as time-dependent transport properties via closed-form microstructure–property formulas. Specifically, the recently introduced time-dependent diffusion spreadability is determined exactly from the spectral density. Moreover, we accurately estimate the fluid permeability of such porous materials from a closed-form formula that depends on the second moment of the pore-size function and the formation factor, a measure of the tortuosity of the pore space, which is exactly obtained for the three minimal-surface structures. We also rigorously bound the permeability from above using the spectral density. For the five models with identical cubic unit cells, we find that the permeability, inverse of the specific surface, hyperuniformity order metric, pore-size second moment and long-time spreadability behavior are all positively correlated and rank order the structures in exactly the same way. We also conjecture what structures maximize the fluid permeability for arbitrary porosities and show that this conjecture must be true in the extreme porosity limits by identifying the corresponding optimal structures. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
38. Abnormal grain growth behavior in gradient nanostructured titanium investigated by coupled quasi-in-situ EBSD experiments and phase-field simulations.
- Author
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Peng, Wei, Li, Xiao, Gao, Jiabao, He, Chenyun, Zhang, Yong, Lu, Tiwen, Zhang, Xiancheng, Zhang, Lijun, Sun, Binhan, and Tu, Shantung
- Subjects
- *
THERMAL stability , *TITANIUM , *TWIN boundaries , *HIGH temperatures , *ELECTRON diffraction , *CRYSTAL grain boundaries - Abstract
Gradient nanostructured (GNS) metals exhibit superior mechanical properties compared with their counterparts containing a homogeneous microstructure. However, GNS materials usually suffer from the abnormal grain growth (AGG) when subjected to elevated temperatures, resulting in the instability of the gradient nanostructure and the degradation of mechanical properties. Investigating AGG and thermal stability in GNS metals is crucial for improving their high-temperature performance, but it poses significant challenges due to the inherent complexity in the GNS microstructure. In this paper, quasi-in-situ electron backscatter diffraction (EBSD) experiments and multi-order-parameter phase-field (MOP-PF) simulations are combined to perform a comprehensive study on the AGG mechanism of GNS-Ti. Both experimental and simulation results show that AGG occurs in the deformation twin enriched layer (280 μm depth) at 700/°C, but not at 550/°C. Such difference is attributed to the larger stored energy difference between distinct microstructural layers and the faster grain boundary mobility at the higher temperature of 700/°C. Moreover, we reveal a dual role of deformation twins in the thermal stability of GNS-Ti. The reduced interface energy and mobility of twin boundaries contribute to an improved thermal stability of the corresponding microstructure layer of GNS-Ti. However, on the other hand, the associated change in the stored energy heterogeneity among microstructural layers may promote AGG. Based on these findings, potential microstructure strategies for enhancing the thermal stability of GNS-Ti and similar alloys are provided. It is anticipated that the presently developed approach should be suitable for understanding the thermal stability mechanisms in different GNS metals. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
39. Magnetization reversal process in flat and patterned exchange-biased CoO/[Co/Pd] thin films.
- Author
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Perzanowski, Marcin, Chojenka, Juliusz, Szkudlarek, Aleksandra, and Krupinski, Michal
- Subjects
- *
MAGNETIZATION reversal , *THIN films , *EXCHANGE interactions (Magnetism) , *EXCHANGE bias , *MAGNETIC materials - Abstract
Nanostructured magnetic materials have gained great interest due to their possible technological applications in electronic and spintronic devices or in medicine as drug carriers. The key issue which decides on their potential industrial utilization is an exhibited type of a magnetization reversal process. Two main approaches used to describe the switching mechanism are the domain wall motion and coherent magnetization rotation, known as the Kondorsky and Stoner–Wohlfarth models, respectively. The reversal modes can be distinguished by angular measurements of hysteresis loops; however, in many experimental reports the dependencies do not precisely follow either of the models. This makes the question of how the magnetization reversal takes place and how to control or modify it one of the unclear and worth investigation issues in the research on magnetic materials. In this paper, we present our studies on the magnetization reversal in the exchange-biased CoO/[Co/Pd] thin films deposited on a flat substrate and on an array of anodized titanium oxide nanostructures. We studied the reversal mechanism using hysteresis loops and First-Order Reversal Curves. Interestingly, instead of the typical for the flat Co/Pd multilayers Kondorsky process, the system shows a crossover between the domain wall motion and the coherent rotation. A similar situation takes place for the pattern sample. Here, we connect this unusual behavior with the interface exchange interaction responsible for the exchange bias effect. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
40. High polarization stability induced by light-activated defect engineering in ferroelectric single crystals.
- Author
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Jin, Xinyu, Wang, Yu, Meng, Xiangda, Liu, Mingxuan, Xing, Bohan, Wen, Xing, Huang, Xiaolin, Wang, Xiaoou, Hu, Chengpeng, Tan, Peng, and Tian, Hao
- Subjects
- *
FERROELECTRIC crystals , *SINGLE crystals , *ENGINEERING , *STRUCTURAL engineering , *ELECTRIC fields - Abstract
Ferroelectric crystals possess good physical properties, which endow them with great potential in photovoltaic, piezoelectric, and electro-optic applications. The polarization stability of ferroelectric crystals is crucial for device applications, because their performance mostly relies on the engineering of domain structures. In this paper, we show that the polarization stability can be improved through light illumination during poling; the obtained Mn and Fe-doped KTa 1- x Nb x O 3 (Mn&Fe: KTN) single crystals maintained stable single-domain state and excellent electro-optic properties over a 1-year observation period. We propose a possible mechanism for the improved polarization stability through light-activated defect engineering, and also investigate the effect of light illumination on defect states in KTN crystals. Appropriate ions doping and light activation effect are shown to be the effective method for achieving high polarization stability after electric field poling. The light-activated defect engineering promotes the stabilization of polarization structures, which is beneficial for the development of high-performance applications based on ferroelectric crystals. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
41. Towards a quantitative understanding of bonding in supersonic single particle impacts: A three-dimensional FIB-SEM exploration.
- Author
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Panova, Veera and Schuh, Christopher A.
- Subjects
- *
CRITICAL velocity , *METAL extrusion , *MANUFACTURING processes - Abstract
Particle bonding is crucial to coating quality in cold spray, but it has been a challenge to accurately quantify bonding even in single particle impacts. This paper uses FIB-SEM to explicitly map the particle-substrate interface for Cu-on-Cu single microparticle impacts in a full 3D rendering that spans a wide range of impact velocities. This approach permits a detailed quantification of the total bonding area and all of its associated components. In addition to revealing why prior 2D characterization efforts have missed important details about impact bonding, these data quantitatively reveal the evolution of bonding from its onset at the "critical velocity" V cr (where bonding is generally poor, ∼6 %) to its peak at around 1.3‧V cr (where almost 90 % of the particle bonds). Further increase in the velocity to 1.5‧V cr and beyond finds the onset of hydrodynamic penetration and a decrease in bonding. These data then support the development of a simple analytical model based on oxide rarefication and extrusion of bare metal through gaps in the oxide layer as driving the development of bonding. The model reproduces the experiments and provides guidance on optimization of bonding as a function of material and process parameters. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
42. Influence of GaN substrate miscut on the XRD quantification of plastic relaxation in InGaN.
- Author
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Moneta, J., Kryśko, M., Domagala, J.Z., Grzanka, E., Muziol, G., Siekacz, M., Leszczyński, M., and Smalc-Koziorowska, J.
- Subjects
- *
SUBSTRATES (Materials science) , *BIOCHEMICAL substrates , *INDIUM gallium nitride , *X-ray diffraction , *GALLIUM nitride - Abstract
In the epitaxy of semiconducting materials, substrate miscut is introduced to improve the morphology of deposited layers. However, in the mismatched epitaxial system, the substrate miscut also changes the stress geometry in the deposited layer, thus influencing the relaxation processes. In this paper, we show that InGaN layers grown on misoriented (0001)-GaN substrates relax by preferential activation of certain glide planes for misfit dislocation formation. Substrate misorientation changes resolved shear stresses, affecting the distribution of misfit dislocations within each dislocation set. We demonstrate that this mechanism leads to an anisotropic strain as well as a tilt of the InGaN layer with respect to the GaN substrate. It appears that these phenomena are more pronounced in structures grown on substrates misoriented toward 〈 11 2 ¯ 0 〉 direction than corresponding structures with 〈 1 ¯ 100 〉 misorientation. We reveal that the lattice of partially relaxed InGaN has a triclinic deformation, thus requiring advanced XRD analysis. The presentation of just a single asymmetric reciprocal space map commonly practiced in the literature can lead to misleading information regarding the relaxation state of partially relaxed wurtzite structures. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
43. Towards accurate thermodynamics from random energy sampling.
- Author
-
Schuler, Thomas, Nastar, Maylise, Li, Kangming, and Fu, Chu-Chun
- Subjects
- *
THERMODYNAMICS , *STATISTICAL sampling , *MONTE Carlo method , *CHEMICAL potential , *ANALYTICAL chemistry , *EQUILIBRIUM - Abstract
Special Quasi-random Structures (SQSs) are often used to model disordered alloys in small simulation cells. Yet, SQS-based sampling yields chemical potentials (and other thermodynamic properties) that do not match the equilibrium values at some finite temperature, which can for instance be measured in atomic Monte Carlo simulations. This is due to the lack of chemical short-range order in random samples. In this paper, we present a probabilistic analysis of chemical potential calculations based on the distribution of substitution energies and the Widom technique. Performing the analysis by sampling either equilibrium configurations or SQSs, we show that they both yield different results, but that it is possible to correct the results from the random sampling in order to get a result which is much closer to the equilibrium values. The correction is very simple to apply and does not require additional total energy calculations. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
44. Growth-associated emergence of spontaneous magnetization in Al-doped Cr2O3 thin film.
- Author
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Tada, Tatsuo, Sakurai, Hiroki, Toyoki, Kentaro, Ichikawa, Satoshi, Ina, Toshiaki, Kishida, Noriaki, Kotani, Yoshinori, Nakamoto, Masashi, Mori, Kota, Nakatani, Ryoichi, and Shiratsuchi, Yu
- Subjects
- *
SPONTANEOUS magnetization , *THIN films , *CHROMIUM oxide , *FERRIMAGNETIC materials , *TRANSMISSION electron microscopes , *MAGNETIC entropy - Abstract
Development of antiferromagnetic/ferrimagnetic materials has been an area of active pursuit to advance the antiferromagnetic/ferrimagnetic spintronics. In this paper, we investigated the emergence of the spontaneous magnetization M S in the antiferromagnetic Cr 2 O 3 thin film by the Al substitution. In the case of the (Cr 1- x Al x) 2 O 3 (0001) thin films, M S increases with increasing Al composition x up to x ∼0.21. The magnitude of M S decreases abruptly for x > 0.22, accompanied with the collapse of the crystal formation. We found that the induction of the spontaneous magnetization was highly associated with the growth process. The magnitude of M S depends on the growth direction of the film: M S at 10 K for x = 0.13±0.01 is 80 kA/m, 30 kA/m and 0 kA/m for (0001), (01 1 ¯ 2) and (11 2 ¯ 0) films, respectively. The difference in M S with the growth direction is relevant to the magnetic sublattice selective substitution of Al during the thin film growth. This specific substitution occurs in the growth plane having the layer-by-layer stacking of the magnetic sublattice, which was verified by the direct observations using the scanning transmission electron microscope. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
45. Peritectic solidification patterns in the Zn–Ag system captured in three- and four-dimensions.
- Author
-
Lindemann, George R., Aramanda, Shanmukha Kiran, and Shahani, Ashwin J.
- Subjects
- *
DIRECTIONAL solidification , *SOLIDIFICATION , *X-ray imaging , *SYNCHROTRON radiation , *SAMPLE size (Statistics) , *GRAIN - Abstract
Microstructure selection in two-phase peritectic alloys has been a long-standing topic of fundamental importance. The bicontinuous microstructures arising from peritectic solidification have presented significant challenges for analysis due (in part) to our reliance on two-dimensional (2D) sections, which limits our ability to interpret the full three-dimensional (3D) complexity. Additionally, understanding growth mechanisms based solely on postmortem data has proven to be challenging because the extent of the solid-state peritectic transformation is unknown. Here, we employed X-ray imaging techniques to acquire detailed 3D data and visualize in real-time the dynamics of peritectic solidification in a model system of composition Zn-9.53 wt.% Ag. This paper offers a detailed examination of the origin of two-phase (Zn) + AgZn 3 microstructures during directional solidification: specifically, our work investigates the influence of velocity, thermal gradient, and sample size on microstructure selection, namely, rod-like, singly-banded, and multiply-banded structures. Importantly, we find at low velocities V (0.07–0.1 μ m/s) and a low thermal gradient G (3 K/mm) the emergence of peritectic (Zn) channels, interwoven within and between primary AgZn 3 columnar grains. While these microstructures are suggestive of coupled growth morphologies, real-time imaging proves that the two solids are instead decoupled at the growth front. Meanwhile, at thermal gradients 10 × higher, we observe a partially dendritic and partially banded structure that has not been reported before, to the best of our knowledge. We initiate a discussion on the formation of such structures, with broad implications to a wide range of metallic, semi-metallic, and organic peritectic alloys. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF
46. A framework for automated analysis and simulation of 3D polycrystalline microstructures. Part 2: Synthetic structure generation
- Author
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Groeber, Michael, Ghosh, Somnath, Uchic, Michael D., and Dimiduk, Dennis M.
- Published
- 2008
- Full Text
- View/download PDF
47. Prediction of transformation stresses in NiTi shape memory alloy.
- Author
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Alkan, S. and Sehitoglu, H.
- Subjects
- *
NICKEL-titanium alloys , *SHAPE memory alloys , *INTERFACE structures , *ATOMIC interactions , *CRYSTAL orientation , *SINGLE crystals - Abstract
It is well known that interfaces play an important role in determining the mechanical response of materials. This paper focuses on the transforming shape memory alloy NiTi and is aimed towards a better understanding of austenite-martensite interface structure (steps and dislocation arrays) and the determination of transformation stress corresponding to the translation of this interface. In the present work, we characterize the defect content at the cubic-monoclinic interfaces via the Topological Model. The defect-induced displacement fields are generated within the framework of the Eshelby-Stroh formalism and further improved with Molecular Statics simulations accounting for interactions at the atomic level. The resulting defect core disregistry fields are employed as input to a modified Peierls-Nabarro framework for evaluating the transformation stress. We applied the proposed methodology to the particular case of NiTi alloy single crystals of specific orientations and predicted the transformation stress levels in close agreement with experiments. Moreover, the short-range interactions of dislocation core disregistry fields are shown to be responsible for the experimentally observed non-Schmid behavior of transformation stress levels. Overall, the paper represents an effort to improve our understanding of shape memory materials considering theory, computer simulation and experiment. Image 1 [ABSTRACT FROM AUTHOR]
- Published
- 2019
- Full Text
- View/download PDF
48. Thermal conductivity of architected cellular metamaterials.
- Author
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Mirabolghasemi, A., Akbarzadeh, A.H., Rodrigue, D., and Therriault, D.
- Subjects
- *
THERMAL conductivity , *PRINT materials , *LIGHTWEIGHT materials , *SPECIFIC gravity , *TEMPERATURE control , *FUNCTIONALLY gradient materials , *METAMATERIALS - Abstract
Periodic architected cellular metamaterials, as a novel class of low-density materials, possess unprecedented multifunctional properties mainly due to their underlying microarchitecture. In this paper, we study the thermal conductivity of cellular metamaterials and evaluate their performance for thermal management applications. To understand the relations between the microarchitecture and the thermal response, we analyze the thermal conductivity of a wide range of cellular metamaterials with strategically developed microarchitectures from two-dimensional (2D) cells with Supershape pores to three-dimensional (3D) thin-walled open lattices and shellular materials. We implement standard mechanics homogenization on the periodic representative volume elements (RVEs) of these cellular metamaterials to examine the effect of pore architecture (relative density, pore shape, pore orientation, and pore elongation) on their effective thermal conductivity. The numerical results show how the thermal conductivity of an isotropic material can be modified by pore introduction and how the pore architecture could lead to an anisotropic effective thermal conductivity tensor. To examine the impact of having 2D Supershape cuts on 3D RVEs, thin-walled open lattices are designed as an assembly of thickened 2D RVEs with Supershape pores. A mathematical model is derived based on the effective thermal properties of the constituent 2D RVEs to predict the effective thermal properties of these lightweight cellular materials. Effective thermal conductivity of shellular materials based on triply periodic minimal surfaces is also compared with those of the previously introduced architectures. Unlike the shellular materials, which only cover a narrow region of thermal conductivity versus relative density chart, cellular materials with a wide range of anisotropic effective thermal conductivities can be engineered by using 2D Supershape pores on 2D or 3D thin-walled cells. Finally, we show how the concept of architected functionally graded cellular materials can be used to tune the heat flow within cellular media to guide it in a specific direction to control the temperature inside advanced 3D printed materials. As a case study, the optimum spatial distribution of pore rotation angle is found to maximize or minimize the heat flow passing through different sides of a square-shaped porous slab. This paper opens an avenue for developing thermal metamaterials with programmable anisotropic thermal properties. Image 1 [ABSTRACT FROM AUTHOR]
- Published
- 2019
- Full Text
- View/download PDF
49. Topology optimization of photonic crystals with exotic properties resulting from Dirac-like cones.
- Author
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Chen, Yafeng, Meng, Fei, Li, Guangyao, and Huang, Xiaodong
- Subjects
- *
DIRAC function , *PHOTONIC crystals , *WAVEFRONTS (Optics) , *FOURIER analysis , *SINC function , *CLOAKING devices - Abstract
Abstract The Dirac-like cones underlie many unique properties of photonic crystals (PhCs). This paper aims to design fabrication-friendly PhCs with Dirac-like cones for transverse magnetic (TM) modes and transverse electric (TE) modes at different specific frequencies. By maximizing the minimum of a collection of the local density of states corresponding to different judiciously selected sources, this paper demonstrates that Dirac-like cones formed by the degeneracy of a doubly degenerate mode and a single mode at different desired frequencies are successfully obtained. The exotic wave manipulation properties associated with Dirac-like cones, such as cloaking, wavefront shaping and tunneling through bent channels, are exhibited based on the optimized structures. This paper also demonstrates that the proposed method could be used for the design of PhCs with one Dirac-like cone at ω , and one monopolar band at 2 ω at the Γ point, and PhCs with third order Dirac-like cones, which have potential applications in nonlinear optics. All topological patterns of the optimized PhCs are reported and have regular and smooth features, meaning they can be readily fabricated. Graphical abstract Image 1 [ABSTRACT FROM AUTHOR]
- Published
- 2019
- Full Text
- View/download PDF
50. Significant off-stoichiometry effect leading to the N-type conduction and ferromagnetic properties in titanium doped Fe2VAl thin films
- Author
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Gao, Weihong, Liu, Zihang, Baba, Takahiro, Guo, Quansheng, Tang, Dai-Ming, Kawamoto, Naoyuki, Bauer, Ernst, Tsujii, Naohito, and Mori, Takao
- Published
- 2020
- Full Text
- View/download PDF
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