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Migration behavior of tellurium in bcc iron against typical alloying elements: A first-principles study 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 181, 页码: -
Authors:  Zhang, ZD;  Ren, CL;  Tan, ML;  Yang, YQ;  Yin, YR;  Wang, CY;  Han, H;  Huai, P
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INITIO MOLECULAR-DYNAMICS  SOLVENT SELF-DIFFUSION  AB-INITIO  ALPHA-IRON  FE  VACANCIES  NICKEL  ENERGY  DIFFUSIVITIES  TRANSITION  
Sample spinning to mitigate polarization artifact and interstitial-vacancy imbalance in ion-beam irradiation 期刊论文
NPJ COMPUTATIONAL MATERIALS, 2020, 卷号: 6, 期号: 1, 页码: -
Authors:  Ren, CL;  Yang, Y;  Li, YG;  Huai, P;  Zhu, ZY;  Li, J
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CHARGED-PARTICLE  CHALLENGES  FE  
Ion beam irradiation of ABO(4) compounds with the fergusonite, monazite, scheelite, and zircon structures 期刊论文
JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2020, 卷号: 103, 期号: 10, 页码: 5502-5514
Authors:  de los Reyes, M;  Aughterson, RD;  Gregg, DJ;  Middleburgh, SC;  Zaluzec, NJ;  Huai, P;  Ren, CL;  Lumpkin, GR
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CRYSTAL-STRUCTURE  NEUTRON-DIFFRACTION  RADIATION-DAMAGE  TEMPERATURE  TRANSFORMATION  PYROCHLORE  PHASE  AMORPHIZATION  TRANSITIONS  REFINEMENT  
First-principles study of helium behavior in nickel with noble gas incorporation 期刊论文
JOURNAL OF APPLIED PHYSICS, 2020, 卷号: 127, 期号: 17, 页码: -
Authors:  Liao, LX;  Zhang, X;  Ren, CL;  Zhang, ZD;  Huang, HF;  Ma, GH;  Huai, P
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ION  IRRADIATION  EVOLUTION  MICROSTRUCTURE  ALLOY  
Direct Synthesis of Semimetal Phthalocyanines on a Surface with Insights into Interfacial Properties 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 卷号: 124, 期号: 15, 页码: 8247-8256
Authors:  Hu, JB;  Strand, FS;  Chellappan, RK;  Zhang, ZD;  Shen, KC;  Hu, JP;  Ji, GW;  Huai, P;  Huang, H;  Wang, P;  Li, ZS;  Jiang, Z;  Wells, JW;  Song, F
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RAY PHOTOELECTRON-SPECTROSCOPY  COBALT PHTHALOCYANINE  IRON PHTHALOCYANINE  BISMUTH  PORPHYRINS  AG(111)  COORDINATION  METALATION  MOLECULES  EXCHANGE  
Impact of dislocations and dislocation substructures on molten salt corrosion of alloys under plasticity-imparting conditions 期刊论文
CORROSION SCIENCE, 2020, 卷号: 176, 页码: -
Authors:  Muransky, O;  Karatchevtseva, I;  Danon, AE;  Holmes, R;  Huai, P;  Zhang, ZM
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Theoretical prediction of radiation-enhanced diffusion behavior in nickel under self-ion irradiation 期刊论文
NUCLEAR SCIENCE AND TECHNIQUES, 2020, 卷号: 31, 期号: 9, 页码: -
Authors:  Chen, XY;  Wen, AL;  Ren, CL;  Wang, CB;  Zhang, W;  Huang, HF;  Chen, ZW;  Huai, P
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Ab initio investigation of pressure-induced structural transitions and electronic evolution of Th3N4 期刊论文
HIGH PRESSURE RESEARCH, 2020, 卷号: 40, 期号: 2, 页码: 267-282
Authors:  Zhang, Y;  Guo, YL;  Liao, ZG;  Liu, CD;  Huai, P;  Zhu, ZY;  Ke, XZ
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TOTAL-ENERGY CALCULATIONS  EQUATION-OF-STATE  CRYSTAL-STRUCTURE  SOFT-MODE  PHASE  FUNCTIONALS  STABILITY  OXIDATION  NITRIDE  
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