Search Results - "Zhou, Xiaowang"

An Fe‐Ni‐Cr embedded atom method potential for austenitic and ferritic systems by Zhou, Xiaowang W., Foster, Michael E., Sills, Ryan B.

“…Fe‐Ni‐Cr stainless‐steels are important structural materials because of their superior strength and corrosion resistance. Atomistic studies of mechanical…”
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Line-length-dependent dislocation mobilities in an FCC stainless steel alloy by Sills, Ryan B., Foster, Michael E., Zhou, Xiaowang W.

“…Using molecular dynamics simulations, we compute the mobility of an edge dislocation in a random FCC Fe0.70Ni0.11Cr0.19 alloy over temperatures from 100 to…”
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Uniaxial pulling and nano-scratching of a newly synthesized high entropy alloy by Fan, Pengfei, Katiyar, Nirmal Kumar, Zhou, Xiaowang, Goel, Saurav

“…Multicomponent alloys possessing nanocrystalline structure, often alluded to as Cantor alloys or high entropy alloys (HEAs), continue to attract the great…”
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Void and helium bubble interactions with dislocations in an FCC stainless steel alloy: anomalous hardening and cavity cross-slip locking by Sills, Ryan B., Zhou, Xiaowang W., Foster, Michael E.

“…The critical stress for cutting of a void and He bubble (generically referred to as a cavity) by edge and screw dislocations has been determined for FCC…”
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Hierarchically Controlled Inside‐Out Doping of Mg Nanocomposites for Moderate Temperature Hydrogen Storage by Cho, Eun Seon, Ruminski, Anne M., Liu, Yi‐Sheng, Shea, Patrick T., Kang, ShinYoung, Zaia, Edmond W., Park, Jae Yeol, Chuang, Yi‐De, Yuk, Jong Min, Zhou, Xiaowang, Heo, Tae Wook, Guo, Jinghua, Wood, Brandon C., Urban, Jeffrey J.

“…Demand for pragmatic alternatives to carbon‐intensive fossil fuels is growing more strident. Hydrogen represents an ideal zero‐carbon clean energy carrier with…”
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Review and construction of interatomic potentials for molecular dynamics studies of hydrogen embrittlement in Fe─C based steels by Zhou, Xiaowang, Foster, Michael E., Ronevich, Joseph A., San Marchi, Christopher W.

“…Reducing hydrogen embrittlement in the low‐cost Fe─C based steels have the potential to significantly impact the development of hydrogen energy technologies…”
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Temperature and composition dependent screw dislocation mobility in austenitic stainless steels from large-scale molecular dynamics by Chu, Kevin, Foster, Michael E., Sills, Ryan B., Zhou, Xiaowang, Zhu, Ting, McDowell, David L.

“…Extensive molecular dynamics simulations are performed to determine screw dislocation mobility in austenitic Fe 0.7 Ni x Cr 0.3-x stainless steels as a…”
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Length scales and scale-free dynamics of dislocations in dense solid solutions by Péterffy, Gábor, Ispánovity, Péter D., Foster, Michael E., Zhou, Xiaowang, Sills, Ryan B.

“…The fundamental interactions between an edge dislocation and a random solid solution are studied by analyzing dislocation line roughness profiles obtained from…”
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Molecular Dynamics Calculations of Grain Boundary Mobility in CdTe by Aguirre, Rodolfo, Abdullah, Sharmin, Zhou, Xiaowang, Zubia, David

“…Molecular dynamics (MD) simulations have been applied to study mobilities of Σ3, Σ7 and Σ11 grain boundaries in CdTe. First, an existing MD approach to drive…”
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Molecular Dynamics Studies of Dislocations in CdTe Crystals from a New Bond Order Potential by Zhou, Xiaowang, Ward, Donald K, Wong, Bryan M, Doty, F. Patrick, Zimmerman, Jonathan A

“…Cd1‑x Zn x Te (CZT) crystals are the leading semiconductors for radiation detection, but their application is limited by the high cost of detector-grade…”
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Thermodynamic properties of model CdTe/CdSe mixtures by van Swol, Frank, Zhou, Xiaowang W., Challa, Sivakumar R., Martin, James E.

“…We report on the thermodynamic properties of binary compound mixtures of model groups II-VI semiconductors. We use the recently introduced Stillinger-Weber…”
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A refined parameterization of the analytical Cd–Zn–Te bond-order potential by Ward, Donald K., Zhou, Xiaowang, Wong, Bryan M., Doty, F. Patrick

“…This paper reports an updated parameterization for a CdTe bond order potential. The original potential is a rigorously parameterized analytical bond order…”
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Selective Growth of CdTe on Nano-patterned CdS via Close-Space Sublimation by Aguirre, Brandon A., Zubia, David, Ordonez, Rafael, Anwar, Farhana, Prieto, Heber, Sanchez, Carlos A., Salazar, Maria T., Pimentel, Alejandro. A., Michael, Joseph R., Zhou, Xiaowang, Mcclure, John C., Nielson, Gregory N., Cruz-Campa, Jose L.

“…Selective-area deposition of CdTe on CdS via close-space sublimation is used to study the effect of window size (2  μ m and 300 nm) on grain growth. The basic…”
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Defying Thermodynamics: Stabilization of Alane Within Covalent Triazine Frameworks for Reversible Hydrogen Storage by Stavila, Vitalie, Li, Sichi, Dun, Chaochao, Marple, Maxwell A. T., Mason, Harris E., Snider, Jonathan L., Reynolds, Joseph E., El Gabaly, Farid, Sugar, Joshua D., Spataru, Catalin D., Zhou, Xiaowang, Dizdar, Brennan, Majzoub, Eric H., Chatterjee, Ruchira, Yano, Junko, Schlomberg, Hendrik, Lotsch, Bettina V., Urban, Jeffrey J., Wood, Brandon C., Allendorf, Mark D.

“…The highly unfavorable thermodynamics of direct aluminum hydrogenation can be overcome by stabilizing alane within a nanoporous bipyridine‐functionalized…”
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Crystal Growth and Scintillation Properties of by Pin Yang, Xiaowang Zhou, Haoran Deng, Rodriguez, M. A., Feng, P. L., van Loef, E. V. D., Shah, K. S., Doty, F. P.

“…Single crystals of Cs 2 NaGdBr 6 with different Ce +3 activator concentrations were grown by a two-zone Bridgman method. This new compound belongs to a large…”
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A molecular dynamics study on defect reduction in thin film Cd1−xZnxTe/CdS solar cells by Chavez, Jose J., Xiaowang Zhou, Ward, Donald K., Cruz-Campa, Jose L., Zubia, David

“…Recently developed molecular dynamics models have been applied to study the formation of defects during growth of ZnTe-on-CdS multilayers. Our studies…”
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Analytic bond-order potential for predicting structural trends across the sp-valent elements by DRAUTZ, Ralf, MURDICK, Dewey A, NGUYEN-MANH, Duc, XIAOWANG ZHOU, WADLEY, Haydn N. G, PETTIFOR, David G

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Towards model-guided defect reduction in Cd1−xZnxTe/CdS solar cells: Development of molecular dynamics models by Xiaowang Zhou, Chavez, Jose Juan, Cruz-Campa, Jose Luis, Zubia, David

“…Cd 1-x Zn x Te/CdS solar cells are currently limited by material defects. While nano-structuring promises further defect reductions, the materials synthesis…”
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Non-equilibrium molecular dynamics studies of thermal diffusion of hydrogen isotopes in low concentration zirconium hydrides by Zhou, X.W.

“…Tritium permeability in zirconium-based tritium getter critically impacts tritium storage and environmental safety during operation of tritium-producing…”
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Line tension induced character angle dependence of dislocation mobility in FCC alloys by Sills, Ryan B., Foster, Michael E., Zhou, Xiaowang

“…We explore the character angle dependence of dislocation-solute interactions in a face-centered cubic random Fe0.70Ni0.11Cr0.19 alloy through molecular…”
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