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Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li
10
GeP
2
S
12
Solid Electrolyte
期刊论文
OAI收割
MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14
作者:
Qi, Changlin
;
Zhou, Yuwei
;
Yuan XZ(袁晓泽)
;
Peng Q(彭庆)
;
Yang, Yong
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/05/27
Li10GeP2S12 solid electrolyte
first-principles calculation
Ewald-summation-based electrostatic energy
machine learning- and active-learning-based LAsou method
ab initio molecular dynamics
Recent Advances in Room-Temperature Phosphorescence Metal-Organic Hybrids: Structures, Properties, and Applications
期刊论文
OAI收割
ADVANCED MATERIALS, 2024, 页码: 19
作者:
Li, Xian
;
Wang, Yuefei
;
Zhang, Zaiyong
;
Cai, Suzhi
;
An, Zhongfu
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2024/02/27
coordination bonding
ionic bonding
metal-organic hybrids
perovskites
room-temperature phosphorescence
Prediction of chemical short-range order in high-/medium-entropy alloys
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 169, 页码: 115-123
作者:
Cao, Pei-Yu
;
Wang, Jing
;
Jiang, Ping
;
Wang, Yun-Jiang
;
Yuan, Fu-Ping
  |  
收藏
  |  
浏览/下载:63/0
  |  
提交时间:2023/10/10
Short-range order
High-entropy alloy
Microstructure
First-principles calculation
Gibbs free energy
Local electronic density of states
Coupling effect of strain gradient strengthening and thermal softening on the microscale plastic behavior of metallic materials
期刊论文
OAI收割
EUROPEAN JOURNAL OF MECHANICS A-SOLIDS, 2023, 卷号: 102, 页码: 16
作者:
Liu, Yanwei
;
Long, Hao
;
Zhang, Siyuan
;
Song JR(宋晶如)
;
Zhou, Qianqian
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2023/10/23
Thermo-mechanical coupled
Microscale plasticity model
Plastic strain gradient
Radial return method
Staggered solution scheme
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:22/0
  |  
提交时间:2023/11/13
thermoelectric materials
PBE-D3
vdW-DFq
first-principles calculation
Mg3Bi2-xSbx
Hydrogen trapping in vanadium carbide alloyed with transition metals
期刊论文
OAI收割
NUCLEAR MATERIALS AND ENERGY, 2023, 卷号: 36, 页码: 11
作者:
Tang, Shuai
;
Li, Linxian
;
Yan, Haile
;
Jin, Jianfeng
;
Peng, Qing
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2023/11/28
Hydrogen barrier coating
Vanadium carbide
First-principles calculations
Transition-metal alloying
Enhanced strength-ductility synergy via high dislocation density-induced strain hardening in nitrogen interstitial CrMnFeCoNi high-entropy alloy
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 141, 页码: 184-192
作者:
Li, Huabing
;
Han, Yu
;
Feng, Hao
;
Zhou, Gang
;
Jiang, Zhouhua
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/05/09
High-entropy alloy
Interstitials
Mechanical properties
First-principles calculations
Stacking fault energy
Design and optimization of the composition and mechanical properties for non-equiatomic CoCrNi medium-entropy alloys
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 139, 页码: 232-244
作者:
Yan, J. X.
;
Zhang, Z. J.
;
Zhang, P.
;
Liu, J. H.
;
Yu, H.
  |  
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2023/05/09
Medium-entropy alloys
First-principles calculations
Phase stability
Stacking-fault energy
Strength
Ductility
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
Ionic liquid crystal electrolytes: Fundamental, applications and prospects
期刊论文
OAI收割
NANO ENERGY, 2023, 卷号: 106, 页码: 17
作者:
Ruan, Qinqin
;
Yao, Meng
;
Yuan, Du
;
Dong, Haotian
;
Liu, Jiaxin
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/05/19
Ionic liquid crystal
Solid-state electrolytes
Batteries
Conductive mechanism
Microstructure