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Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2022, 卷号: 34, 期号: 43, 页码: 10
Authors:  Cheng, Chao;  Wang, Shaoqing
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Fourier projection method  molecular dynamics  anharmonic vibration  thermal conductivity  
Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 13, 页码: 5323-5333
Authors:  Zhang, Siyan;  Liu, Mei;  Luo, Yixiu;  Sun, Luchao;  Wang, Jiemin;  Wang, Jingyang
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Ab Initio molecular dynamics (AIMD)  Si-doped h-BN  Ceramic matrix composites (CMCs)  Interphase  
Atomic-Scale Design of Anode Materials for Alkali Metal (Li/Na/K)-Ion Batteries: Progress and Perspectives 期刊论文
Authors:  Olsson, Emilia;  Yu, Jiale;  Zhang, Haiyan;  Cheng, Hui-Ming;  Cai, Qiong
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anodes  density functional theory  lithium-ion batteries  materials design  molecular dynamics  potassium-ion batteries  sodium-ion batteries  
Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method 期刊论文
CARBON, 2022, 卷号: 191, 页码: 350-361
Authors:  Long, X. H.;  Setyawan, W.;  Tai, K. P.;  Liu, Y.;  Yu, M. S.;  Wang, Z. Q.;  Gao, N.;  Wang, X. L.
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Molecular dynamics  Graphite  Atomic implantation  Radiation defects  Bending properties  
An experimentally-based molecular dynamics analysis of grain boundary migration during recrystallization in aluminum 期刊论文
SCRIPTA MATERIALIA, 2022, 卷号: 211, 页码: 5
Authors:  Li, Runguang;  Homer, Eric R.;  Hong, Chuanshi;  Zhang, Yubin;  Jensen, Dorte Juul
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Recrystallization  Grain boundary mobility  Molecular dynamics  
Cluster Hardening Effects on Twinning in Mg-Zn-Ca Alloys 期刊论文
METALS, 2022, 卷号: 12, 期号: 4, 页码: 10
Authors:  Liu, Ruixue;  Wang, Jie;  Wang, Leyun;  Zeng, Xiaoqin;  Jin, Zhaohui
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Mg-Zn-Ca alloy  twin boundary  solute cluster hardening  molecular dynamics simulation  
Shear strain-induced structure relaxation of Ni Sigma 17 [110](223) grain boundary: A molecular dynamics simulation 期刊论文
MODERN PHYSICS LETTERS B, 2022, 卷号: 36, 期号: 02, 页码: 15
Authors:  Xue, Hongtao;  Yu, Xudong;  Zhou, Xin;  Tang, Fuling;  Li, Xiuyan;  Wu, Youzhi;  Ren, Junqiang;  Lu, Xuefeng
Favorite  |  View/Download:30/0  |  Submit date:2022/07/01
Grain boundary relaxation  Ni Sigma 17 [110](223) grain boundary  molecular dynamics  grain boundary stability  nanocrystalline metals  
Survey of Grain Boundary Energies in Tungsten and Beta-Titanium at High Temperature 期刊论文
MATERIALS, 2022, 卷号: 15, 期号: 1, 页码: 14
Authors:  He, Hong;  Ma, Shangyi;  Wang, Shaoqing
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grain boundary energy  molecular dynamics  body-centered cubic metals  high temperature  
Molecular dynamics investigation on tilt grain boundary energies of beta-titanium and tungsten at high temperature 期刊论文
Materials Research Express, 2021, 卷号: 8, 期号: 11
Authors:  He,Hong;  Ma,Shangyi;  Wang,Shaoqing
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molecular dynamics simulation  grain boundary energy  beta-titanium  tungsten  
Effects of pressure on the generalized stacking fault energy and twinning propensity of face-centered cubic metals 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2021, 卷号: 866, 页码: 12
Authors:  Yan, J. X.;  Zhang, Z. J.;  Yu, H.;  Li, K. Q.;  Hu, Q. M.;  Yang, J. B.;  Zhang, Z. F.
Favorite  |  View/Download:51/0  |  Submit date:2021/10/15
Molecular dynamics simulations  First-principles calculations  High-pressure  High entropy alloy  Twinning  Phase transitions