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Electronic signal for mechanical failure in two-dimensional g-SiC 期刊论文
SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2024, 卷号: 39, 期号: 6, 页码: 5
Authors:  Li, Jing;  Shi, Tan;  Lu, Chenyang;  Peng Q(彭庆)
Favorite  |  View/Download：11/0  |  Submit date：2024/05/27
instability  mechanical properties  electronic properties  two-dimensional SiC  first-principles calculations  mechanical failure  
The effect of carbon vacancy on the properties of ZrC by MEAM potentials 期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2024, 卷号: 85, 页码: 7
Authors:  Ouyang, Yifang;  Xiong, Meiling;  Lin, Kuixin;  Zhou, Yulu;  Chen, Hongmei;  Tao, Xiaoma;  Peng Q(彭庆);  Du, Yong
Favorite  |  View/Download：8/0  |  Submit date：2024/05/27
Zr-C system  MEAM potential  Physical properties  
Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14
Authors:  Qi, Changlin;  Zhou, Yuwei;  Yuan XZ(袁晓泽);  Peng Q(彭庆);  Yang, Yong;  Li, Yongwang;  Wen, Xiaodong
Favorite  |  View/Download：15/0  |  Submit date：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  
Prediction of chemical short-range order in high-/medium-entropy alloys 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 169, 页码: 115-123
Authors:  Cao PY(曹沛宇);  Wang J(王晶);  Jiang P(姜萍);  Wang YJ(王云江);  Yuan FP(袁福平);  Wu XL(武晓雷)
Favorite  |  View/Download：178/0  |  Submit date：2023/10/10
Short-range order  High-entropy alloy  Microstructure  First-principles calculation  Gibbs free energy  Local electronic density of states  
Stable and 7.7 wt% hydrogen storage capacity of Ti decorated Irida-Graphene from first-principles calculations 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 卷号: 50, 页码: 738-748
Authors:  Tan, Yongkang;  Tao, Xiaoma;  Ouyang, Yifang;  Peng Q(彭庆)
Favorite  |  View/Download：65/0  |  Submit date：2024/02/05
Irida-graphene  Hydrogen storage  Titanium decoration  First-principles calculation  
Thermoelectric Properties of Mg3(Bi,Sb)2 under Finite Temperatures and Pressures: A First-Principles Study 期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 1, 页码: 17
Authors:  Peng Q(彭庆);  Ma, Xinjie;  Yang, Xiaoyu;  Yuan XZ(袁晓泽);  Chen, XiaoJia
Favorite  |  View/Download：49/0  |  Submit date：2024/02/19
thermoelectric materials  PBE-D3  vdW-DFq  first-principles calculation  Mg3Bi2-vSbv  MatCloud  
Lattice Thermal Conductivity of Mg3(Bi,Sb)2 Nanocomposites: A First-Principles Study 期刊论文
NANOMATERIALS, 2023, 卷号: 13, 期号: 22, 页码: 12
Authors:  Peng Q(彭庆);  Yuan XZ(袁晓泽);  Zhao S(赵帅);  Chen, Xiao-Jia
Adobe PDF(4964Kb)  |  Favorite  |  View/Download：85/9  |  Submit date：2024/01/08
Mg-3(BixSb1-x)(2)  lattice thermal conductivity  first-principles calculations  
Assessing Effects of van der Waals Corrections on Elasticity of Mg3Bi2-xSbx in DFT Calculations 期刊论文
MATERIALS, 2023, 卷号: 16, 期号: 19, 页码: 15
Authors:  Peng Q(彭庆);  Ma, Xinjie;  Yang, Xiaoyu;  Zhao, Shuai;  Yuan XZ(袁晓泽);  Chen, Xiaojia
Adobe PDF(3669Kb)  |  Favorite  |  View/Download：95/3  |  Submit date：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
NUCLEAR MATERIALS AND ENERGY, 2023, 卷号: 36, 页码: 11
Authors:  Tang, Shuai;  Li, Linxian;  Yan, Haile;  Jin, Jianfeng;  Peng Q(彭庆);  Cai, Minghui;  Li, Jianping;  Liu, Zhenyu;  Wang, Guodong
Adobe PDF(7779Kb)  |  Favorite  |  View/Download：76/8  |  Submit date：2023/11/28
Hydrogen barrier coating  Vanadium carbide  First-principles calculations  Transition-metal alloying  
A Systematic Approach for Inertial Sensor Calibration of Gravity Recovery Satellites and Its Application to Taiji-1 Mission 期刊论文
REMOTE SENSING, 2023, 卷号: 15, 期号: 15, 页码: 3817
Authors:  Zhang HY(张昊越);  Xu P(徐鹏);  Ye ZQ(叶宗奇);  Ye, Dong;  Qiang, Lie;  Luo ZR(罗子人);  Qi KQ(齐克奇);  Wang SX(王少鑫);  Cai, Zhiming;  Wang, Zuolei;  Lei, Jungang;  Wu, Yueliang
Adobe PDF(30720Kb)  |  Favorite  |  View/Download：57/4  |  Submit date：2023/09/05
satellite gravity  inertial sensor  accelerometer  calibration  gravitational wave detection