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电场、应力和电荷态对Ti_2CO_2电子性质调控的理论研究 期刊论文
无机材料学报, 2020, 卷号: 35, 期号: 01, 页码: 73-80
Authors:  王昌英;  路宇畅;  任翠兰;  王刚;  怀平
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第一性原理  Ti2CO2  电场  应力  电荷态  电子性质  
VaspCZ:一个提高效率的VASP计算辅助程序 期刊论文
核技术, 2020, 卷号: 43, 期号: 03, 页码: 34-40
Authors:  张正德;  谈蒙露;  任翠兰;  怀平
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第一性原理  VASP  辅助程序  电子结构计算  过渡态计算  
Size Effects on the Mechanical Properties of Nanoporous Graphene Networks 期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2019, 卷号: 29, 期号: 19, 页码: —
Authors:  Tang, DM;  Ren, CL;  Zhang, L;  Tao, Y;  Zhang, P;  Lv, W;  Jia, XL;  Jiang, XJ;  Zhou, GM;  Ohmura, T;  Huai, P;  Li, F;  Bando, Y;  Golberg, D;  Yang, QH
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MULTIWALLED CARBON NANOTUBES  MICROPILLAR COMPRESSION  VOLUMETRIC CAPACITANCE  BRITTLE TRANSITION  LIQUID-CRYSTALS  STRENGTH  OXIDE  DEFORMATION  FIBERS  DUCTILITY  
First-principles study on the mechanical properties of M2CT2 (M = Ti, Zr, Hf; T = O, F, OH) MXenes 期刊论文
NUCLEAR SCIENCE AND TECHNIQUES, 2019, 卷号: 30, 期号: 11, 页码: -
Authors:  Lu, YC;  Ren, CL;  Wang, CY;  Yin, YR;  Han, H;  Zhang, W;  Huai, P
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Transition-metal Carbide  Electronic-properties  Elastic Properties  Strength  Defects  Anode  
上海软X射线自由电子激光装置 期刊论文
中国激光, 2019, 卷号: 46, 期号: 01, 页码: 33-42
Authors:  赵振堂;  王东;  殷立新;  顾强;  方国平;  谷鸣;  冷用斌;  周巧根;  刘波;  唐传祥;  黄文会;  刘志;  江怀东;  翁祖谦
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激光技术  自由电子激光  软X射线  相干光源  
Elastic, mechanical, electronic, and defective properties of Zr-Al-C nanolaminates from first principles 期刊论文
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2018, 卷号: 101, 期号: 2, 页码: 756-772
Authors:  Wang, CY;  Han, H;  Zhao, YY;  Zhang, W;  Guo, YL;  Ren, CL;  Zeng, GL;  Huang, Q;  Huai, P
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Crystal-structure  Max-phase  Layered Carbides  1st-principles  Zr3al3c5  Ti3sic2  Zr2al3c4  Temperature  Hf  Predictions  
A First-Principles Study on the Vibrational and Electronic Properties of Zr-C MXenes 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2018, 卷号: 69, 期号: 3, 页码: 336-342
Authors:  Wang, CY;  Guo, YL;  Zhao, YY;  Zeng, GL;  Zhang, W;  Ren, CL;  Han, H;  Huai, P
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1st Principles  Stability  Tho2  
First-principle atomistic thermodynamic study on the early-stage corrosion of NiCr alloy under fluoride salt environment 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 45, 页码: 28832-28839
Authors:  Yin, YR;  Ren, CL;  Han, H;  Dai, JX;  Wang, H;  Huai, P;  Zhu, ZY
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SURFACE SEGREGATION  ADSORPTION  CHLORINE  ENERGY  MOISTURE  CU(111)  POINTS  
First-principles study on structural, mechanical and electronic properties of thorium dichalcogenides under high pressure 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 508, 期号: -, 页码: 147-153
Authors:  Guo, YL;  Chen, JC;  Wang, CY;  Jiao, ZY;  Ke, XZ;  Huai, P
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TOTAL-ENERGY CALCULATIONS  AUGMENTED-WAVE METHOD  AB-INITIO  BASIS-SET  STABILITY  PHASE  TRANSITION  PARAMETERS  CARBIDE  STATE  
Theoretical study of fluorine-induced surface segregation of Cr in non-passivated Ni-based alloys 期刊论文
JOURNAL OF APPLIED PHYSICS, 2018, 卷号: 124, 期号: 13, 页码: -
Authors:  Yin, YR;  Ren, CL;  Han, H;  So, KP;  Ye, XX;  Zhang, X;  Huai, P;  Zhu, ZY
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FLINAK SALT ENVIRONMENTS  AUGMENTED-WAVE METHOD  CORROSION  ENERGY  ADSORPTION  OXIDATION  MOISTURE  BEHAVIOR  METALS  SYSTEM