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The diffusion of moisture in the meta-aramid fiber (PMIA) oil-paper insulation system and the thermal decomposition of PMIA insulation paper in different moisture contents were studied via molecular dynamics simulations. The results showed that the PMIA insulation paper had a stronger ability to absorb water molecules than the insulating oil; therefore, water molecules in the insulating oil diffuse to the insulation paper, which further affects the thermal decomposition of the PMIA insulation paper. The activation energy of the water-bearing composite model was 129.96 kJ/mol, which was 5.5% lower than that of the pure PMIA (137.61 kJ/mol). It indicated that moisture could promote PMIA decomposition. The micromechanism of the enhanced thermal decomposition of PMIA with moisture contents could be described as follows: The O–H bond of the water can easily break to generate H atoms and hydroxyl radicals (•OH). The strong activity of H atoms allows it to easily combine with the ammonia base at the end of PMIA to generate NH3. Additionally, the free •OH radical can easily combine with the amido and carbonyl bonds at two ends of PMIA, undergo an oxidation reaction, and generate an oxhydryl. Therefore, it can reduce the chemical stability of the PMIA chain and further drive thermal decomposition. Statistical data on fragments generated by the thermal decomposition of the water-bearing PMIA composite system show that the main products include H2, C/H/O-containing molecules, hydrocarbon molecules, N-bearing molecules, and free radicals.

In this work, in-plane thermal conductivity measurement was carried out on graphene-based papers. Graphene-based papers were fabricated using various processing techniques such as chemical vapor deposition (CVD), hot pressing of graphene slurry, and evaporation induced self-assembly. The prepared materials were characterized using scanning electron microscopy, Raman spectroscopy, and X-ray diffraction. In-plane thermal conductivity measurement was performed via a steady state thin film thermal conductivity apparatus. The in-plane thermal conductivity measurements show that the CVD based sample has the highest thermal conductivity. COMSOL Multiphysics was used to simulate the in-plane thermal conductivity of graphene-based papers.

Holes and defects can greatly reduce the mechanical properties of multilayer graphene sheets under different loading conditions due to the stress concentration near the hole edge in each in-plane sheet and the lack of interlayer carbon–carbon bonds between the layers. Here, we report a novel design of multilayer open-hole graphene papers (MLGPs) formed through interlayer covalent bonding at the hole edges of multilayer open-hole graphene sheets (MLGSs) under high temperature using molecular dynamics (MD) simulations. Our MD results show that the hybrid sp2–sp3 interlayer bonds of MLGPs can significantly improve their both tensile strength and interlayer shear strength. The tensile strength and interlayer shear strength of MLGPs increase by around 20% and 3 times by comparison with those of MLGSs with the same number of layers, respectively, which mainly depends on the uniformity of their interlayer bond distribution. This study can provide an effective way to improve the mechanical performances of multilayer graphene sheets with flaws and also offer corresponding guidance for the design of MLGS-based nanocomposites.

Sustainable and microbiologically secure foodstuff production lines are of increasing scientific interest and are in the focus of recent research programs. Additionally, they are of great importance for the production industry due to the prevention of food-borne illnesses caused by pathogens such as Salmonella sp., Listeria monocytogenes, or Escherichia coli. These pathogens are responsible for production losses, loss of customer acceptance, and severe food-borne illnesses. A pathogenic threat is frequently combated with sanitizing steps of the production lines. For conveyor band cleaning, this study compares the cleaning abilities of nitric acid (HNO3) and plasma treated water (PTW), which have been sprayed via a commercially available nozzle on two different polymeric surfaces (polysiloxane and polyurethane). Additionally, the cleaning agents HNO3 and PTW have been characterized through their pH and their conductivity. These findings have been underpinned by experiments that focus on a possible influence of nozzle abrasion, such as brass and stainless-steel nanoparticles, on the antimicrobial potential of PTW and HNO3. Adversely acting effects like an enhanced abrasion of conveyer band materials due to PTW or HNO3 treatment have been checked by using light microscopic micrographs and topographic scans in high-resolution mode. Based on the presented results of the experiments, the suitability of an in-place sanitation step in foodstuff production lines has been demonstrated on a laboratory scale.

The passivation of In0.53Ga0.47As surfaces is highly desired for transistor performance. In this study, the feasibility of a crystalline oxide passivation on In0.53Ga0.47As (100) is demonstrated experimentally. The (3 × 1) and (3 × 2) crystalline oxide reconstructions are formed on the de-capped In0.53Ga0.47As (100) surfaces through the control of the surface oxidation states. By monitoring the evolution of chemical states and associated structures of the In0.53Ga0.47As (100) surfaces upon O2 and subsequent atomic hydrogen exposure, we find that the control of the Ga oxide states is critical to the formation of the crystalline oxide reconstructions. The stability of the crystalline oxide layers upon the atomic layer deposition of HfO2 is investigated as well. Furthermore, the capacitance voltage behavior of metal oxide semiconductor capacitors with an HfO2 dielectric layer reveals that the crystalline oxide reconstructions result in a decrease in the density of interface traps (Dit) from ∼1 × 1013 cm−2 eV...

We report a development of graphene tunnel junctions made by chemical vapor deposition grown graphene and sputtered aluminum insulating by an in-situ grown aluminum oxide. The thin oxide layer formed in between the metal layer and the two-dimensional material is a crucial part of a tunnel junction. We characterized surface morphology of oxide layers and studied tunneling spectra of lead and silver tunnel junctions to estimate the quality of the aluminum oxide. The Brinkman-Rowell-Dynes model was applied to fit the conductance-voltage plots to calculate the thickness of oxide layers. Junctions with graphene both on bottom and on top were fabricated and their tunneling properties were characterized after exposure to air for weeks to test time stability. Furthermore, the resistances of graphene tunnel junctions with aluminum oxide formed naturally and in an oxygen atmosphere were studied. Our results demonstrate that in-situ aluminum oxide is an effective barrier for graphene tunnel junctions. The methods of...

Harnessing detachment of an aqueous droplet via electrowetting on a flat surface has been of considerable interest for potential practical applications, ranging from self-cleaning to novel optical and digital microfluidic devices, due to the wettability of the droplet on a solid substrate enhanced by applying an electric voltage between the droplet and the insulated substrate. However, a quantitative understanding of the detachment process and an accurate prediction on the thresholds of applied voltage for droplet detachment on curved surfaces are still lacking. In this paper, based on energy conservation, we derive a critical condition theoretically for electrowetting-induced droplet detachment from a hydrophobic curved surface. Furthermore, phase diagrams are constructed in terms of droplet volume, viscosity, the Ohnesorge number, friction coefficient at contact line, surface curvature, surface wettability, and electrowetting number. The deduced critical condition offers a general and quantitative prediction on when the detachment occurs, a criterion enabling us to gain more insights into how to accurately manipulate the electrowetting-induced detachment of an aqueous droplet on a curved surface. The results obtained in this paper also imply that the detachable regimes of the phase diagrams can be enlarged through increasing droplet volume and surface curvature and reducing liquid viscosity, friction coefficient, the Ohnesorge number, and wettability of substrates.

Using the transfer matrix method, the absorption, reflection, and nonreciprocity of the cylindrical photonic crystals (CPCs) consisting of graphene and two layers of ordinary medium cascaded by a periodic sequence and a Rudin–Shapiro quasiperiodic sequence are investigated under a large incidence angle of electromagnetic wave. By comparing the cascade of two periodic structures and the case of a single periodic structure, it is concluded that the structure proposed in this paper has better nonreciprocal phenomena and wider relative absorption bandwidth at a large incidence angle, reaching 162.2%, which is also much higher than the general planar photonic crystals. The absorption performance of this structure in TE and TM modes is compared at different angles and it is found that TM mode has a wider absorption bandwidth and has an ideal bandwidth in a large range of incident angle from 20° to 80°. Meanwhile, the optimum parameters of chemical potential and medium thickness are discussed, which can meet the requirements of large absorption bandwidth and significant nonreciprocity at a large incident angle. The CPCs embedded in graphene adopted in this paper are structures that have never been studied before. The electrical conductivity of graphene can be adjusted by the chemical potential, which can more conveniently realize many optical phenomena and provide reference and application values for optical sensing, optical filtering, and optical detection.

The recently discovered large flexoelectricity in relaxor ferroelectrics has rekindled considerable research interest. In this paper, several Sm-doped Pb(Mg2/3Nb1/3)O3–xPbTiO3 (PMN–xPT) ferroelectric ceramics were prepared and the relationship between flexoelectricity and PT content was systematically investigated. The largest flexoelectric response (∼550 μC/m) was observed in the Sm-doped PMN–32PT ceramic, which should be accounted for in the reorientation of the polar nanoregions. At room temperature, the flexoelectric response of Sm-doped PMN–32PT ceramic is an order of magnitude higher than that of the parent PMN–PT ceramics and even 50% higher than that of Bi–PMN–32PT ceramic (∼300 μC/m). Such a big increment is directly related to the greater local structural heterogeneity caused by Sm3+ ions into PMN–PT. Therefore, the result presented in this paper verifies that introducing local structural heterogeneity is a feasible approach to achieve ultrahigh flexoelectricity.

In this paper, we aim to explain a fundamental uncertainty of the contact angle of the drops catalyzing vapor–liquid–solid growth of semiconductor nanowires (NWs). We developed the concepts about the crystallization processes occurring near the triple-phase boundary as well as the conditions of equilibrium wetting of NW top surface singular with a catalyst liquid drop characterized by the NW contact angle. We demonstrated that due to either dissolution of the crystallizable substance or its precipitation from the liquid catalyst drop on the NW tip, the wetting perimeter of the drop is not fixed and the drop can take an equilibrium shape with the NW contact angle, which does not satisfy Young's equation. The NW contact angle corresponds to the indifferent equilibrium of the catalyst droplet because of the wetting hysteresis. We proposed that the fundamental uncertainty of the NW contact angle of the catalyst drop saturated with a crystallizable substance at the NW tip is a result of the interaction of two opposing competing processes: the spheroidization of the catalytic liquid during the gravity neutralization and the wetting. We concluded that the steady-state NW contact angle of the drop depends on the free surface energies of the solid/liquid and liquid/vapor phase boundaries but does not depend on the free surface energy of the vertical sidewalls of the NWs. In this paper, we also proposed a new method to find the free surface energies of phase boundaries by the shape of the catalyst droplet on the NW tip as well as on the substrate. The paper also presents the results of obtaining the interphase free energy of the boundaries in Si-Au, Si-Cu, Ge-Au, GaAs-Au, InAs-Au, SiC-Fe, InP-Au, and so on systems.

This Perspective reviews the fundamental physics of space–charge interactions that are important in various media: vacuum gap, air gap, liquids, and solids including quantum materials. It outlines the critical and recent developments since a previous review paper on diode physics [Zhang et al. Appl. Phys. Rev. 4, 011304 (2017)] with particular emphasis on various theoretical aspects of the space–charge limited current (SCLC) model: physics at the nano-scale, time-dependent, and transient behaviors; higher-dimensional models; and transitions between electron emission mechanisms and material properties. While many studies focus on steady-state SCLC, the increasing importance of fast-rise time electric pulses, high frequency microwave and terahertz sources, and ultrafast lasers has motivated theoretical investigations in time-dependent SCLC. We particularly focus on recent studies in discrete particle effects, temporal phenomena, time-dependent photoemission to SCLC, and AC beam loading. Due to the reduction in the physical size and complicated geometries, we report recent studies in multi-dimensional SCLC, including finite particle effects, protrusive SCLC, novel techniques for exotic geometries, and fractional models. Due to the importance of using SCLC models in determining the mobility of organic materials, this paper shows the transition of the SCLC model between classical bulk solids and recent two-dimensional (2D) Dirac materials. Next, we describe some selected applications of SCLC in nanodiodes, including nanoscale vacuum-channel transistors, microplasma transistors, thermionic energy converters, and multipactor. Finally, we conclude by highlighting future directions in theoretical modeling and applications of SCLC., Peer-reviewed (ritrýnd grein)

Open framework Si24 is a cage-like silicon allotrope with a highly anisotropic character and predicted to possess fascinating optoelectronic and thermoelectric performance. In this paper, we systematically investigated the thermoelectric conversion performance of Si24 nanowires (Si24NWs) through using nonequilibrium Green's function method as implemented in the density functional based tight-binding framework. The calculations reveal that Si24NWs possess superb electronic transport properties, e.g., the Seebeck coefficient could approach 2.67 mV/k at room temperature (several times greater than that of diamond silicon nanowires). Meanwhile, evident anisotropic thermal transport is also observed in Si24NWs, where the room temperature phonon thermal conductance of Si24NW-[100]/[010]/[001] is 1.36/0.27/0.38 nW/k, respectively. Through analyzing the phonon spectra of Si24NWs, we explain the origin of such an anisotropic thermal transport property. By combining the electron and phonon transport properties, the thermoelectric properties of Si24NWs are predicted and the ZT value of Si24NW-[100]/[010]/[001] could, respectively, approach 0.18/1.28/0.85 at room temperature. In order to achieve better thermoelectric performance, the Si/Ge core–shell structures are constructed (based on Si24NW-[010]). The results show that the core–shell structure is indeed a viable and efficient way to improve the thermoelectric conversion efficiency (the figure of merit could be boosted to 2.2 at room temperature). The findings presented in this paper shed light on the thermoelectric performance of Si24NWs and could provide a helpful guideline for designing and fabricating excellent thermoelectric devices based on Si24NWs.

In this paper, circularly polarized metasurface radiators (meta-radiator) are elaborately designed with low-profile, small footprint, and highly efficient specifications. The proposed array consists of single-feed dense radiating meta-atoms that overall occupies a small area of 1.57 λ 0 × 1.57 λ 0 at f = 5.8 GHz. The inter-element coupling is involved by analyzing the contributing meta-atoms with Floquet boundary conditions. For demonstration purposes, an 8 × 8 sample of meta-radiators excited by an isolated network beneath the ground plane is fabricated. Both numerical and experimental results demonstrate that the meta-radiator exposes a pure left-hand circularly polarized radiation with a peak broadside directivity, a realized gain, and an axial ratio of 14.9 dBi, 14.2 dB, and 1.28 dB, respectively. Numerical simulations indicate that the aperture, radiation, and total efficiencies are as high as 99%, 97.5%, and 84.3%, respectively. In comparison with the conventional array antennas with similar performances, the proposed meta-radiator provides a higher aperture efficiency, in a simpler manner to achieve circular polarization, and more compact size as discussed throughout the paper. This new class of radiating architectures may find great potential applications in target detection systems and wireless communications.

Due to the exciting physical mechano-bactericidal approach developed in recent years using nanopatterned surfaces with its potential applications in biomedical engineering, now it becomes crucially important to fabricate optimal surface structures so as to achieve the best bactericidal ability. In this paper, the bactericidal efficacy of the cylindrical nanopillar-patterned surface and the sinusoidal nanopillar-patterned surface is presented via minimizing total free energy for a bacterial cell adhered on these two kinds of surfaces. Our theoretical analyses show that the adhesion depth at equilibrium along the nanopillar shafts and the corresponding stretching degree is related to the the nanopillar density and nanopillar radius. The bactericidal efficacy on the nanopillar-patterned surface is determined by the combination of nanopillar density and naopillar radius, which is also supported by the phase diagrams obtained, showing that at large internanopillar spacing and nanopillar radius, the sinusoidal nanopillar-patterned surface is more advantageous in bactericidal efficacy, while in small interspacing and nanopillar radius, the cylindrical nanopillar-patterned surface structure is more powerful. The conclusions obtained in this paper unveil how the mechano-bactericidal effect is achieved by tuning the topography of the nanopatterned surface, a technique helpful to the optimal design and fabrication of bio-mimicking nanotextured surfaces.

A detailed experimental study of high power impulse magnetron sputtering discharges is performed using time-resolved ground state density mapping of the sputtered neutrals and ions. This Paper deals with the effects related to the plasma-on phase and can be considered as an extension of Paper I being published simultaneously. The influence of plasma pulse duration, pulse energy, gas pressure as well as molecular oxygen admixture on the spatial and temporal particle density evolution is examined. Special attention is given to the temporal evolution of the ionization fraction distribution of the sputtered atoms. In addition, the 2D vector maps reflecting particle propagation, sputtering, and ionization in the discharge volume are also presented and discussed, similarly to the first part of this study [J. Appl. Phys. 128, 043303 (2020)].

We have been observing the kinetic buildup of electrical conduction current upon x-ray irradiation in ZnSe single crystals. The objective is to understand the behavior of ZnSe crystals under x-ray irradiation, toward their potential use in x-ray detectors that do not require cooling and can operate above room temperature. The paper focuses on the factors that affect the behavior of traps at room temperature. A model is developed to understand the origin of the behavior of the conduction current under x-ray irradiation, taking into account the contributions from three types of traps for electrons (shallow, phosphorescent, and deep) and two luminescence centers (luminescence bands of 630 and 970 nm). Principally, the model is applied to the fitting of the experimental curves. Consequently, the work puts in evidence the role of electron accumulation on traps on the x-ray conduction current buildup on ZnSe crystals. We have obtained experimental dependencies of x-ray conduction current buildup current at 85 K, which indicates the presence of delay in comparison with x-ray luminescence buildup. This paper will demonstrate the effectiveness of our theoretical method in the framework of the multi-center model for wide-gap semiconductors.

This paper evaluates the fracture toughness of sodium aluminosilicate hydrate (N-A-S-H) gel formed through alkaline activation of fly ash via molecular dynamics (MD) simulations. The short- and medium-range order of the constructed N-A-S-H structures shows good correlation with the experimental observations, signifying the viability of the N-A-S-H structures. The simulated fracture toughness values of N-A-S-H (0.4–0.45 MPa m0.5) appear to be of the same order as the available experimental values for fly ash-based geopolymer mortars and concretes. These results suggest the efficacy of the MD simulation toward obtaining a realistic fracture toughness of N-A-S-H, which is otherwise very challenging to obtain experimentally, and no direct experimental fracture toughness values are yet available. To further assess the fracture behavior of N-A-S-H, the number of chemical bonds formed/broken during elongation and their relative sensitivity to crack growth are evaluated. Overall, the fracture toughness of N-A-S-H presented in this paper paves the way for a multiscale simulation-based design of tougher geopolymers.

Temperature is one of the most important parameters for characterizing the thermodynamic state of matter in extreme conditions. However, there is as of yet no universal and accurate way to measure the temperature associated with a shock wave propagating in an opaque material, let alone an inversion method for determining how this temperature evolves. Based on the current strong generalization and learning abilities of artificial neural networks, this paper proposes using an artificial neural network to determine (i) how the shock-wave temperature in a material evolves and (ii) the surface temperature of the interface between the material and vacuum when a shock wave propagates through the material. Data generated using a one-dimensional numerical hydrodynamic simulation are used to train the artificial neural network by applying backpropagation and optimization to many datasets. Once the artificial neural network is trained sufficiently, it becomes an excellent approximator that can estimate the shock-wave temperature from a given streaked-optical-pyrometer image and other known information from the experiment. The paper ends with various possible extensions to the present research.

Internal electric fields can have a significant effect on the behavior of charged defects, dopants, and impurities in operating electronic devices that can adversely impact on their long-term performance and reliability. In this paper, we investigate the redistribution of charged centers in single crystal m-plane ZnO under the action of a DC electric field at 873 K using in-plane and in-depth spatially resolved cathodoluminescence (CL) spectroscopy. The CL intensities of the ultra-violet near band edge (NBE) emission at 3.28 eV and green luminescence (GL) at 2.39 eV were observed to both uniformly increase on the anode side of the electrode gap. Conversely, toward the cathode, the NBE and GL steadily decrease and increase, respectively. The GL quenched after hydrogen donor doping, confirming that the emission is related to acceptor-like centers. Based on the electro-migration and hydrogen doping results, the GL is attributed to radiative recombination involving Z n i and V Zn pairs. The intensity of an orange luminescence centered at 2.01 eV was unaffected by the electric field and is assigned to substitutional Li acceptors.Internal electric fields can have a significant effect on the behavior of charged defects, dopants, and impurities in operating electronic devices that can adversely impact on their long-term performance and reliability. In this paper, we investigate the redistribution of charged centers in single crystal m-plane ZnO under the action of a DC electric field at 873 K using in-plane and in-depth spatially resolved cathodoluminescence (CL) spectroscopy. The CL intensities of the ultra-violet near band edge (NBE) emission at 3.28 eV and green luminescence (GL) at 2.39 eV were observed to both uniformly increase on the anode side of the electrode gap. Conversely, toward the cathode, the NBE and GL steadily decrease and increase, respectively. The GL quenched after hydrogen donor doping, confirming that the emission is related to acceptor-like centers. Based on the electro-migration and hydrogen doping results, the GL is attributed to radiative recombination involving Z n i and V Zn pairs. The intens...

In this letter, we propose a theoretical description of double nonuniform cross-section (DNUCS) channels, which can achieve the designed absorption coefficient with a shorter channel overall. Introducing channels with a nonuniform cross section changes the period of the surface acoustic impedance, which has a significant impact on the dominant operating frequencies. In this paper, we give the relation between the absorption peak position and the geometric parameters, which can be used to design DNUCS channels with a specific operating frequency. Furthermore, multiple nonuniform cross-section channels can be studied in the same way. Based on the above theory, we reduce the operating absorption frequency range of a new type of Fabry–Perot absorbers to a lower regime in a constant volume. Our theoretical framework may be important in designing absorption metasurfaces and for further research.In this letter, we propose a theoretical description of double nonuniform cross-section (DNUCS) channels, which can achieve the designed absorption coefficient with a shorter channel overall. Introducing channels with a nonuniform cross section changes the period of the surface acoustic impedance, which has a significant impact on the dominant operating frequencies. In this paper, we give the relation between the absorption peak position and the geometric parameters, which can be used to design DNUCS channels with a specific operating frequency. Furthermore, multiple nonuniform cross-section channels can be studied in the same way. Based on the above theory, we reduce the operating absorption frequency range of a new type of Fabry–Perot absorbers to a lower regime in a constant volume. Our theoretical framework may be important in designing absorption metasurfaces and for further research.