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Exploring microstructures of metal-doped oxides via simulated Raman spectrum 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2024, 卷号: 320, 页码: 5
Authors:  Liu, Le;  Xu, Yuxing;  Su, Junchao;  Wei, Jiangtao;  Liu, Xingchen;  Peng Q(彭庆);  Chang, Jie;  Teng, Botao
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Metal-doped oxide  Global structure searching  Boltzmann distribution  Simulated Raman spectrum  Ce1-xZrxO2  Microstructure  
A comparative first-principles study on the physical properties of Gd2Zr2O7 weberite and pyrochlore 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 245, 页码: 7./通讯作者：Liu, Chenguang, Gao, Fei, Li, Yuhong
Authors:  Liu, Chenguang;  Gao, Rongrong;  Xia, Yue;  Xia, Xiaoyi;  Shi, Tan;  Peng Q(彭庆);  Gao, Fei;  Li, Yuhong
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Weberite  Pyrochlore  First principles calculations  Physical properties  
Atomistic Insights into the Irradiation Resistance of Co-Free High Entropy Alloy FeMnNiCr 期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2024, 页码: 10./通讯作者：Li, Rui, Peng, Qing
Authors:  Wang, Chunhui;  Guo, Lei;  Li, Rui;  Peng Q(彭庆)
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High entropy alloys  Displacement cascade  Irradiation defects  Molecular dynamics  
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./通讯作者：Tao, Xiaoma
Authors:  Ouyang, Yifang;  Xiong, Meiling;  Lin, Kuixin;  Zhou, Yulu;  Chen, Hongmei;  Tao, Xiaoma;  Peng Q(彭庆);  Du, Yong
Favorite  |  View/Download：92/0  |  Submit date：2024/05/27
Zr-C system  MEAM potential  Physical properties  
Femtosecond laser-induced ultrafast growth of volcanic-shaped graphene micropillars 期刊论文
SURFACES AND INTERFACES, 2024, 卷号: 48, 页码: 10./通讯作者：Cao, Qiang
Authors:  Peng, Sheng;  Zhang, Kun;  Wang, Heng;  Zou, Junjie;  Wang, Xiaoliang;  Peng Q(彭庆);  Cao, Qiang
Favorite  |  View/Download：54/0  |  Submit date：2024/06/17
Femtosecond laser  Self -growth  Volcanic -shaped micropillar  Carbonization  Solar absorption  
Microstructure evolution in 439 stainless steels under tensile: phase field simulation and experiment 期刊论文
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2024, 卷号: 32, 期号: 3, 页码: 23./通讯作者：Wang, Mingtao
Authors:  Liu, Yongbo;  Wang, Mingtao;  Liu, Qingcheng;  Jin, Jianfeng;  Peng Q(彭庆);  Zong, Yaping
Favorite  |  View/Download：184/0  |  Submit date：2024/03/11
439 stainless steel  phase field simulation  tensile stress  texture  microstructure  
Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 231, 页码: 12./通讯作者：Xie, Lu, Zhang, Yong
Authors:  Xie, Lu;  Wu, Guangda;  Liaw, Peter K.;  Wang, Wenrui;  Li, Dongyue;  Peng Q(彭庆);  Zhang, Jie;  Zhang, Yong
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High-entropy alloy  Temperature gradient  Stress distribution  Cooling rate  
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./通讯作者：Ouyang, Yifang, Peng, Qing
Authors:  Tan, Yongkang;  Tao, Xiaoma;  Ouyang, Yifang;  Peng Q(彭庆)
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Irida-graphene  Hydrogen storage  Titanium decoration  First-principles calculation  
An atomistic study on grain-size and temperature effects on mechanical properties of polycrystal CoCrFeNi high-entropy alloys 期刊论文
MATERIALS TODAY COMMUNICATIONS, 2023, 卷号: 37, 页码: 11./通讯作者：Peng, Qing, Wang, Wenrui
Authors:  Xie, Lu;  Wu, Guangda;  Peng Q(彭庆);  Liu, Junpeng;  Li, Dongyue;  Wang, Wenrui
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High-entropy alloys  Grain size  Temperature  Twinning  Phase transition  
Atomistic insights into the influence of hydrogen on crack propagation in tungsten 期刊论文
FUSION ENGINEERING AND DESIGN, 2023, 卷号: 197, 页码: 11./通讯作者：Liang, Linyun, Jin, Shuo
Authors:  Shi, Jun;  Li, Bingchen;  Li, Lei;  Liu, Yifan;  Fan, Xinyue;  Peng Q(彭庆);  Liang, Linyun;  Jin, Shuo;  Lu, Guanghong
Adobe PDF(27292Kb)  |  Favorite  |  View/Download：258/27  |  Submit date：2023/12/11
Molecular dynamics simulation  Hydrogen  Crack propagation  Plasma-facing materials  Tungsten