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Diffusion and incidence of helium on tungsten surface
期刊论文
OAI收割
JOURNAL OF NUCLEAR MATERIALS, 2023, 卷号: 586
作者:
Wang, Jinlong
;
Guo, Jinmin
;
He, Bingling
;
Liu, Daping
;
Pan, Xin-Dong
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2023/11/10
Tungsten
Helium
Irradiation energy
Diffusion barrier
Depth distribution
Assessing Effects of van der Waals Corrections on Elasticity of Mg
3
Bi
2-x
Sb
x
in DFT Calculations
期刊论文
OAI收割
MATERIALS, 2023, 卷号: 16, 期号: 19, 页码: 15
作者:
Peng, Qing
;
Ma, Xinjie
;
Yang, Xiaoyu
;
Zhao, Shuai
;
Yuan, Xiaoze
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2023/11/13
thermoelectric materials
PBE-D3
vdW-DFq
first-principles calculation
Mg3Bi2-xSbx
Equations of State and Phase Boundaries of SiO
2
Polymorphs Under Lower Mantle Conditions
期刊论文
OAI收割
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH, 2023, 卷号: 128, 期号: 10, 页码: 15
作者:
Li, Guoge
;
Zhang, Zhiming
;
Niu, Xiaoguang
;
Liu, Jin
;
Li, Juan
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2023/12/27
SiO2
first-principles
phase boundary
equation of state
lower mantle
anharmonicity
Combining experimental analyses and molecular dynamics simulations in impurity removal at the Si/slag interface
期刊论文
OAI收割
METALLURGICAL RESEARCH & TECHNOLOGY, 2023, 卷号: 120, 期号: 4, 页码: 11
作者:
Liu, Yubao
;
Guo, Yibo
;
Li, Yaqiong
;
Liu, Yao
;
Fu, Jie
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2023/12/13
Impurity removal
slag refining
interface reaction
MD simulation
OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources
期刊论文
OAI收割
FRONTIERS IN CHEMISTRY, 2023, 卷号: 11, 页码: 15
作者:
Wu, Zhikun
;
Shang, Honghui
;
Wu, Yangjun
;
Zhang, Zhongcheng
;
Liu, Ying
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/12/04
OpenCL
DFPT
GPU
optimization
heterogeneous
Composition-dependent shuffle-shear coupling and shuffle-regulated strain glass transition in compositionally modulated Ti-Nb alloys
期刊论文
OAI收割
ACTA MATERIALIA, 2023, 卷号: 246, 页码: 16
作者:
Su, Yunting
;
Liang, Chuanxin
;
Sun, Xun
;
Zhang, Hualei
;
Liang, Qianglong
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2023/05/09
Martensitic transformations
Atomic shuffle
Spinodal decomposition
Ti-Nb shape memory alloys
Computer simulation
Coexistence simulations of silicate melts and liquid iron and the exchanges of oxygen between the Earth's mantle and core
期刊论文
OAI收割
CHINESE JOURNAL OF GEOPHYSICS-CHINESE EDITION, 2022, 卷号: 65, 期号: 11, 页码: 4249-4258
作者:
Zhang ZhiGang
;
Liu Jin
;
Zhang YiGang
;
Li Juan
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2023/03/31
Core-mantle differentiation
Silicate melts
Liquid iron alloy
First principles simulations
Deep oxygen
Machine learning
Revealing the Tunable Effects of Single Metal Atoms Supported on Nitrogen-Doped Carbon Nanotubes during NO Oxidation from Microkinetic Simulation
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY C, 2022, 页码: 7
作者:
Si, Chaowei
;
Yang, Min
;
Li, Bo
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2023/05/09
Partition model for trace elements between liquid metal and silicate melts involving the interfacial transition structure: An exploratory two-phase first-principles molecular dynamics study
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 364, 页码: 14
作者:
Sun, Yiwei
;
Qian, Guoyu
;
Pang, Sheng
;
Lu, Jijun
;
Guo, Jianwei
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/02/24
Partition model of trace elements
Two-phase first-principles molecular 
dynamics
Local coordination structure
Interfacial transition structure
Silicon slag refining
Low-order moments of the velocity gradient in homogeneous compressible turbulence
期刊论文
OAI收割
JOURNAL OF FLUID MECHANICS, 2022, 卷号: 947, 页码: 12
作者:
Yang PF(杨鹏飞)
;
Fang J
;
Fang L
;
Pumir A
;
Xu H
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2022/09/27
compressible turbulence
turbulence theory