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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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View/Download:39/0
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Submit date:2022/10/08
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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View/Download:36/0
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Submit date:2022/09/16
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
ADVANCED ENERGY MATERIALS, 2022, 页码: 29
Authors:
Olsson, Emilia
;
Yu, Jiale
;
Zhang, Haiyan
;
Cheng, Hui-Ming
;
Cai, Qiong
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View/Download:36/0
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Submit date:2022/07/14
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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View/Download:43/0
  |  
Submit date:2022/07/01
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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View/Download:29/0
  |  
Submit date:2022/07/14
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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View/Download:34/0
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Submit date:2022/07/01
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
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View/Download:30/0
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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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View/Download:38/0
  |  
Submit date:2022/07/01
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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View/Download:36/0
  |  
Submit date:2022/01/27
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.
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View/Download:51/0
  |  
Submit date:2021/10/15
Molecular dynamics simulations
First-principles calculations
High-pressure
High entropy alloy
Twinning
Phase transitions