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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
Activated dissociation of H
2
on the Cu(001) surface: The role of quantum tunneling
期刊论文
OAI收割
CHINESE PHYSICS B, 2023, 卷号: 32
作者:
Yu, Xiaofan
;
Tong, Yangwu
;
Yang, Yong
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/11/10
H-2
Cu(001)
dissociation
quantum tunneling
density functional theory (DFT)
transfer matrix method
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
Saturation evaluation for fine-grained sediments
期刊论文
OAI收割
GEOSCIENCE FRONTIERS, 2023, 卷号: 14, 期号: 4, 页码: 1
作者:
Zhu, Linqi
;
Wu, Shiguo
;
Zhou, Xueqing
;
Cai, Jianchao
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/04/14
Hydrate
Fine-grained
Cementation factor
Saturation index
Archie
Petrophysics
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
Spatial inhomogeneity of point defect properties in refractory multi principal element alloy with short range order: A first principles study
期刊论文
OAI收割
JOURNAL OF APPLIED PHYSICS, 2023, 卷号: 133, 期号: 7, 页码: 75103
作者:
Shi, Tan
;
Lyu, Sixin
;
Su, Zhengxiong
;
Wang YP(汪运鹏)
;
Qiu, Xi
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2023/04/20
First-principles study of adsorption and migration of alkali and alkaline earth metals (Rb, Cs, and Ba) on graphene
期刊论文
OAI收割
APPLIED SURFACE SCIENCE, 2023, 卷号: 610
作者:
Zhao, Ming
;
Li, Xiaochen
;
Fang, Shuoyang
;
Jiang, Zhizhong
;
Yu, Jie
  |  
收藏
  |  
浏览/下载:41/0
  |  
提交时间:2022/12/23
Metals adsorption
Migration barrier
Work function
Defective graphene
B
O doping
Insights into structural and electronic properties of (LiH)n (n=5-25) clusters: Density functional calculations
期刊论文
OAI收割
MATERIALS CHEMISTRY AND PHYSICS, 2023, 卷号: 295, 页码: 8
作者:
Soomro, Irfan Ali
;
Lakhan, Muhammad Nazim
;
Hussain, Altaf
;
Hanan, Abdul
;
Bibi, Faiza
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/02/24
DFT
Structural properties
Electronic properties
Metallic hydrides
LiH cluster
Anisotropic mechanical response of a 2D covalently bound fullerene lattice
期刊论文
OAI收割
CARBON, 2023, 卷号: 202, 页码: 118-124
作者:
Zhao, Shuai
;
Zhang, Xibei
;
Ni, Yong
;
Peng, Qing
;
Wei, Yujie
  |  
收藏
  |  
浏览/下载:41/0
  |  
提交时间:2023/01/12
MonolayerC(60) fullerene(mC(60))
Mechanical properties
Anisotropic strength
Strain engineering
Band gap
Three-Way Behavioral Decision Making With Hesitant Fuzzy Information Systems: Survey and Challenges
期刊论文
OAI收割
IEEE/CAA Journal of Automatica Sinica, 2023, 卷号: 10, 期号: 2, 页码: 330-350
作者:
Jianming Zhan
;
Jiajia Wang
;
Weiping Ding
;
Yiyu Yao
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2023/01/16
Hesitant fuzzy information system (HFIS)
prospect theory
regret theory
three-way decision (T-WD)