Search Results - "Hu, Wangyu"

Enhanced radiation tolerance of the Ni-Co-Cr-Fe high-entropy alloy as revealed from primary damage by Lin, Yeping, Yang, Tengfei, Lang, Lin, Shan, Chang, Deng, Huiqiu, Hu, Wangyu, Gao, Fei

“…High-entropy alloys (HEAs) have received much attention for the development of nuclear materials because of their excellent irradiation tolerance. In the…”
Get full text

Structural damage and phase stability of Al0.3CoCrFeNi high entropy alloy under high temperature ion irradiation by Yang, Tengfei, Guo, Wei, Poplawsky, Jonathan D., Li, Dongyue, Wang, Ling, Li, Yao, Hu, Wangyu, Crespillo, Miguel L., Yan, Zhanfeng, Zhang, Yong, Wang, Yugang, Zinkle, Steven J.

“…An initially single phase high entropy alloy (HEA) Al0.3CoCrFeNi was irradiated by 3 MeV Au ions to a fluence of 6 × 1015 cm−2 (∼31 dpa at damage peak) at four…”
Get full text

An atomic study on the shock-induced plasticity and phase transition for iron-based single crystals by Wang, Kun, Xiao, Shifang, Deng, Huiqiu, Zhu, Wenjun, Hu, Wangyu

“…•We develop a new EAM potential of iron appropriate to the high pressure condition.•Both plasticity and phase transition happen in our results.•The slip system…”
Get full text

Size Effect on the Thermodynamic Properties of Silver Nanoparticles by Luo, Wenhua, Hu, Wangyu, Xiao, Shifang

“…The Gibbs free energy of silver nanoparticles has been obtained from the calculations of bulk free energy and surface free energy for both the solid and liquid…”
Get full text

Atomic simulation of effects of Ʃ5 grain boundary on mechanical properties of Ni3Al by Ma, Lei, Peng, Shimin, Li, Changsheng, Hu, Wangyu

“…The influence of Ʃ5 grain boundary on mechanical properties of Ni 3 Al alloy is investigated under uniaxial loading by molecular dynamics simulation. The…”
Get full text

The growth mechanism of Co atoms on Cu substrates by Zhuangfei, Xi, Xiongying, Dai, Wangyu, Hu

“…Abstract The growth mechanism of Co atoms on Cu atomic substrates was studied by molecular dynamics simulation with large scale atomic/polar massively parallel…”
Get full text

Surface Segregation and Structural Features of Bimetallic Au−Pt Nanoparticles by Deng, Lei, Hu, Wangyu, Deng, Huiqiu, Xiao, Shifang

“…Monte Carlo simulations were carried out to systematically investigate the effects of composition, size, and temperature on the surface segregation and…”
Get full text

Influence of orientation on crack propagation of aluminum by molecular dynamics by Ma, Lei, Deng, Yufei, Ren, Ying, Hu, Wangyu

“…The crack growth behavior of single crystal aluminum is investigated under tensile test at room temperature by molecular dynamics simulations. Three crack…”
Get full text

Molecular dynamics simulation of fatigue crack propagation in bcc iron under cyclic loading by Ma, Lei, Xiao, Shifang, Deng, Huiqiu, Hu, Wangyu

“…•The fatigue crack propagation characteristics of iron were analyzed for the crack models of various orientations.•The influences of classical grain boundary…”
Get full text

Analysis of fatigue crack propagation mechanism of Ni3Al under supergravity at atomic size by Ma, Lei, Fei, Peng, Li, Changsheng, Hu, Wangyu

“…Mechanisms of fatigue crack propagation of Ni3Al alloy under supergravity are studied by the molecular dynamics method. The initial model of the crack is a…”
Get full text

Symmetry-breaking-enhanced power conversion efficiency of 2D van der Waals heterostructures by Huang, Tao, Yang, Zi-Xuan, Li, Lei, Wan, Hui, Zhang, Tao, Huang, Gui-Fang, Hu, Wangyu, Huang, Wei-Qing

“…Symmetry-breaking plays a crucial role in determining the property and functionality of materials. Here, we demonstrate that symmetry-breaking can dramatically…”
Get full text

Extending Schottky–Mott rule to van der Waals heterostructures of 2D Janus materials: Influence of intrinsic dipoles by Chen, Wu-Yu, Li, Lei, Huang, Tao, Yang, Zi-Xuan, Zhang, Tao, Huang, Gui-Fang, Hu, Wangyu, Huang, Wei-Qing

“…The Schottky–Mott (S–M) limit based on the S–M rule is often used to evaluate the Schottky barrier height (SBH) at metal–semiconductor (MS) van der Waals (vdW)…”
Get full text

Correlation between spin state and activity for hydrogen evolution of PtN2 monolayer by Zhang, Tao, Li, Lei, Huang, Tao, Wan, Hui, Chen, Wu-Yu, Yang, Zi-Xuan, Huang, Gui-Fang, Hu, Wangyu, Huang, Wei-Qing

“…Spin plays a key role in physical and chemical reactions, such as oxygen evolution and hydrogen evolution reactions (OER/HER), but the spin–activity…”
Get full text

A comparative atomic simulation study of the configurations in M-Al (M = Mg, Ni, and Fe) nanoalloys: influence of alloying ability, surface energy, atomic radius, and atomic arrangement by Yang, Jianyu, Zhang, Yuwen, Liu, Ying, Hu, Wangyu, Dai, Xiongying

“…The structure evolution behavior of M-Al (M = Mg, Ni, and Fe) nanoalloys with three sizes ( N = 13, 55, and 147) at different compositions were studied through…”
Get full text

Molecular dynamics simulations of high-energy radiation damage in W and W–Re alloys by Fu, Jun, Chen, Yangchun, Fang, Jingzhong, Gao, Ning, Hu, Wangyu, Jiang, Chao, Zhou, Hong-Bo, Lu, Guang-Hong, Gao, Fei, Deng, Huiqiu

“…High-energy collision cascades with an energy of up to 300 keV for the primary knock-on atom (PKA) have been initially simulated in W and W–Re alloys…”
Get full text

Effects of orientation on fatigue crack propagation of Ni3Al under super-gravity by molecular dynamics simulation by Ma, Lei, Zeng, Liangqin, Li, Changsheng, Hu, Wangyu

“…The effects of orientation on fatigue crack propagation of Ni3Al alloys under the super-gravity condition were studied by using the molecular dynamics method…”
Get full text

Hierarchical Self-assembly of Well-Defined Louver-Like P-Doped Carbon Nitride Nanowire Arrays with Highly Efficient Hydrogen Evolution by Li, Bo, Si, Yuan, Fang, Qian, Shi, Ying, Huang, Wei-Qing, Hu, Wangyu, Pan, Anlian, Fan, Xiaoxing, Huang, Gui-Fang

“…Highlights The self-assembled louver-like P-doped carbon nitride (L-PCN) nanowires is firstly constructed. L-PCN nanowires show efficient charge transport, as…”
Get full text

Oxygen Defect Engineering Promotes Synergy Between Adsorbate Evolution and Single Lattice Oxygen Mechanisms of OER in Transition Metal‐Based (oxy)Hydroxide by Wang, Yu‐Han, Li, Lei, Shi, Jinghui, Xie, Meng‐Yuan, Nie, Jianhang, Huang, Gui‐Fang, Li, Bo, Hu, Wangyu, Pan, Anlian, Huang, Wei‐Qing

“…Abstract The oxygen evolution reaction (OER) activity of transition metal (TM)‐based (oxy)hydroxide is dominated by the number and nature of surface active…”
Get full text

Boosting cascade electron transfer in NiFe oxyhydroxide for overall water splitting by Xian, Ming-Hua, Wan, Hui, Wang, Qiao-Ling, Xie, Meng-Yuan, Shi, Jinghui, Nie, Jianhang, Li, Bo, Ou-Yang, Zhen-Yang, Huang, Jia-Rong, Wang, Di, Huang, Gui-Fang, Hu, Wangyu, Huang, Wei-Qing

“…Nickel–iron oxyhydroxides are among the most active electrocatalysts, but their sluggish kinetic of oxygen evolution reaction (OER) limits the energy…”
Get full text

Doping-induced facet transformation boosts water oxidation activity of cobalt carbonate hydroxide hydrate by Liu, Xue-Ying, Bi, Haohao, Li, Lei, Li, Bo, Wang, Yu-Han, Shi, Jinghui, Nie, Jianhang, Huang, Gui-Fang, Hu, Wangyu, Huang, Wei-Qing

“…Rational engineering of non-noble metal catalysts with exposed highly active facets for water splitting is desirable yet remains greatly challenging. Herein,…”
Get full text