Search Results - "Shu, XiaoLin"

Molecular dynamics studies of hydrogen diffusion in tungsten at elevated temperature: Concentration dependence and defect effects by Wang, Li-Fang, Shu, Xiaolin, Lin, De-Ye, Lu, Guang-Hong, Song, Hai-Feng

“…Influence of hydrogen concentration and defects introduced by neutron irradiation on hydrogen diffusion in tungsten has been investigated by molecular dynamics…”
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Helium defects interactions and mechanism of helium bubble growth in tungsten: A molecular dynamics simulation by Li, Xiao-Chun, Liu, Yi-Nan, Yu, Yi, Luo, Guang-Nan, Shu, Xiaolin, Lu, Guang-Hong

“…Molecular dynamics simulations have been performed to investigate the interactions between helium (He) and defects in tungsten (W). The binding energy between…”
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Molecular dynamics simulation of helium cluster diffusion and bubble formation in bulk tungsten by Li, Xiao-Chun, Shu, Xiaolin, Tao, Peng, Yu, Yi, Niu, Guo-Jiang, Xu, Yuping, Gao, Fei, Luo, Guang-Nan

“…Molecular dynamics (MD) simulations have been performed to investigate the diffusion behavior of helium (He) clusters in tungsten (W), because their diffusion…”
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Modified analytical interatomic potential for a W–H system with defects by Li, Xiao-Chun, Shu, Xiaolin, Liu, Yi-Nan, Gao, F., Lu, Guang-Hong

“…We construct modified W–H and W–W analytical bond-order potentials for a W–H system. In combination with Brenner’s H–H potential, we demonstrate that such…”
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Energetics of vacancy segregation to [100] symmetric tilt grain boundaries in bcc tungsten by Chen, Nanjun, Niu, Liang-Liang, Zhang, Ying, Shu, Xiaolin, Zhou, Hong-Bo, Jin, Shuo, Ran, Guang, Lu, Guang-Hong, Gao, Fei

“…The harsh irradiation environment poses serious threat to the structural integrity of leading candidate for plasma-facing materials, tungsten (W), in future…”
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First-principles study of He effects in a bcc Fe grain boundary: site preference, segregation and theoretical tensile strength by Zhang, Lei, Shu, Xiaolin, Jin, Shuo, Zhang, Ying, Lu, Guang-Hong

“…We perform a first-principles calculation to investigate the effects of He in an Fe Σ5(310)/[001] grain boundary (GB) with the SIESTA code, for which the…”
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Analytical W–He and H–He interatomic potentials for a W–H–He system by Li, Xiao-Chun, Shu, Xiaolin, Liu, Yi-Nan, Yu, Yi, Gao, F., Lu, Guang-Hong

“…We have constructed W–He and H–He analytical bond-order potentials for a W–H–He system. In combination with the previously self-developed W–H potential [X.-C…”
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Mechanism of vacancy formation induced by hydrogen in tungsten by Liu, Yi-Nan, Ahlgren, T., Bukonte, L., Nordlund, K., Shu, Xiaolin, Yu, Yi, Li, Xiao-Chun, Lu, Guang-Hong

“…We report a hydrogen induced vacancy formation mechanism in tungsten based on classical molecular dynamics simulations. We demonstrate the vacancy formation in…”
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Comparison of two tungsten–helium interatomic potentials by Wang, Li-Fang, Shu, Xiaolin, Lu, Guang-Hong

“…We have clarified the performance of two tungsten–helium analytical interatomic potentials, one of which, developed by Li et al., is a bond-order potential,…”
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Atomic Simulations of the Interaction between a Dislocation Loop and Vacancy-Type Defects in Tungsten by Li, Linyu, Wang, Hao, Xu, Ke, Li, Bingchen, Jin, Shuo, Li, Xiao-Chun, Shu, Xiaolin, Liang, Linyun, Lu, Guang-Hong

“…Tungsten (W) is considered to be the most promising plasma-facing material in fusion reactors. During their service, severe irradiation conditions create…”
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Effect of hydrogen on grain boundary migration in tungsten by Yu, Yi, Shu, XiaoLin, Liu, YiNan, Niu, LiangLiang, Jin, Shuo, Gao, Fei, Lu, GuangHong

“…Motivated by a grain boundary （GB） healing mechanism that GB turns into a mobile sink through migration to eliminate the vacancies in a bulk, we have further…”
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Effect of carbon on helium trapping in tungsten: A first-principles investigation by Zhou, Hong-Bo, Ou, Xin, Zhang, Ying, Shu, Xiaolin, Liu, Yue-Lin, Lu, Guang-Hong

“…We investigate the effect of carbon (C) on helium (He) trapping in tungsten (W) using a first-principles method. We show C can effectively reduce the solution…”
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Formation of a disordered region at the grain boundary during migration with He atoms by Hu, ShiYuan, Yu, Yi, Yuan, WeiShi, Wang, YuHan, Shu, XiaoLin, Lu, GuangHong

“…W is considered a potential candidate as a plasma facing ma- terial for future nuclear fusion devices because of its high melting point, low sputtering rate,…”
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Theoretical calculation of the mixing enthalpies of 21 IIIB-IVB, IIIB-VB and IVB-VB binary alloy systems by Zhang, Bangwei, Liao, Shuzhi, Shu, Xiaolin, Xie, Haowen, Yuan, Xiaojian

“…The calculation of the formation/mixing enthalpies of binary alloys is an important problem. There have been no systematic theoretical calculations of the…”
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Point-defect properties in body-centered cubic transition metals with analytic EAM interatomic potentials by Hu, Wangyu, Shu, Xiaolin, Zhang, Bangwei

“…Analytic embedded-atom method (EAM) interatomic potentials for body-centered cubic (bcc) transition metals have been constructed. The total energy is regarded…”
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Point defects in L10 FePt studied by molecular dynamics simulations based on an analytic bond-order potential by Dong, Hao, Shu, XiaoLin, Wang, RongMing

“…The point defects and their related physical properties in L10 FePt are investigated by molecular dynamics simulations based on an analytic bond-order…”
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Self-diffusion of Fe and diffusion of Ni in Fe calculated with MAEAM theory by Shu, Xiaolin, Chongyu, Wang

“…The diffusion properties of iron and nickel in iron are investigated by the molecular dynamics method with a modified analytic embedded-atom method. In the…”
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Monte Carlo simulation of the surface segregation of Pt–Pd and Pt–Ir alloys with an analytic embedded-atom method by Deng, Huiqiu, Hu, Wangyu, Shu, Xiaolin, Zhao, Lihua, Zhang, Bangwei

“…Using the analytic modified EAM potentials, the surface concentrations and concentration depth profiles of (1 1 1) and (1 0 0) faces of Pt–Pd and Pt–Ir binary…”
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Platelet-rich plasma-derived exosomes attenuate intervertebral disc degeneration by promoting NLRP3 autophagic degradation in macrophages by Qian, Jun, Wang, Xiangdong, Su, Guanghui, Shu, Xiaolin, Huang, Zucheng, Jiang, Huaji, Zhu, Qingan

“…•PRP-derived exosomes prevented the M1 polarization of macrophages via NF-κB and MAPK pathways.•PRP-derived exosomes promoted the M2 polarization of…”
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Calculation of formation enthalpies and phase stability for Ru–Al alloys using an analytic embedded atom model by Hu, Wangyu, Zhang, Bangwei, Shu, Xiaolin, Huang, Baiyun

“…A simple analytic embedded atom model for hcp and fcc metals is presented. Using such a model, the embedding functions, the potential functions and the…”
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