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AN AB INITIO INVESTIGATION OF THE EFFECT OF Co, Ru, W, Ta ON THE STABILITY AND ELECTRONIC PROPERTIES OF Ni-BASE SINGLE CRYSTAL SUPERALLOYS 期刊论文
DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES, 2020, 卷号: 15, 期号: 4, 页码: 1215-1226
Authors:  Liu, J.;  Du, X.;  Li, J.
Favorite  |  View/Download：77/0  |  Submit date：2021/03/15
Site occupancy  Ab initio calculations  Ni-based single crystal superalloys  Electronic structure  
Enhanced magnetic properties and thermal stability of highly ordered epsilon-Fe3N1+x (-0.12 <= x <=-0.01) nanoparticles 期刊论文
NANOSCALE, 2020, 卷号: 12, 期号: 19, 页码: 10834-10841
Authors:  Li, Yong;  Pan, Desheng;  Zhou, Yangtao;  Kuang, Qifeng;  Wang, Chinwei;  Li, Bing;  Zhang, Bingsen;  Park, Jihoon;  Li, Da;  Choi, Chuljin;  Zhang, Zhidong
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Potassium-Induced Phase Stability Enables Stable and Efficient Wide-Bandgap Perovskite Solar Cells 期刊论文
SOLAR RRL, 2020, 卷号: 4, 期号: 7, 页码: 10
Authors:  Wang, Lipeng;  Wang, Gaoxiang;  Yan, Zheng;  Qiu, Jianhang;  Jia, Chunxu;  Zhang, Weimin;  Zhen, Chao;  Xu, Chuan;  Tai, Kaiping;  Jiang, Xin;  Yang, Shihe
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defect passivation  phase segregation  potassium incorporation  wide-bandgap perovskite solar cells  
Potassium-Induced Phase Stability Enables Stable and Efficient Wide-Bandgap Perovskite Solar Cells 期刊论文
SOLAR RRL, 2020, 页码: 10
Authors:  Wang, Lipeng;  Wang, Gaoxiang;  Yan, Zheng;  Qiu, Jianhang;  Jia, Chunxu;  Zhang, Weimin;  Zhen, Chao;  Xu, Chuan;  Tai, Kaiping;  Jiang, Xin;  Yang, Shihe
Favorite  |  View/Download：64/0  |  Submit date：2021/02/02
defect passivation  phase segregation  potassium incorporation  wide-bandgap perovskite solar cells  
On the abnormal fast diffusion of solute atoms in alpha-Ti: A first-principles investigation 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 740, 页码: 156-166
Authors:  Zhang, LJ;  Chen, ZY;  Hu, QM;  Yang, R;  Hu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
Favorite  |  View/Download：107/0  |  Submit date：2018/06/05
Grain-boundary Segregation  Austenitic Stainless-steel  Total-energy Calculations  Augmented-wave Method  Elastic Band Method  Alloying Elements  Self-diffusion  Impurity Diffusion  1st Principles  Saddle-points  
Structure of Bergman-type W-TiZrNi approximants to quasicrystal, analyzed by lattice inversion method 期刊论文
Journal of Physics-Condensed Matter, 2014, 卷号: 26, 期号: 31
Authors:  H. Huang;  D. Q. Meng;  X. C. Lai;  T. W. Liu;  Y. Long;  Q. M. Hu
Favorite  |  View/Download：116/0  |  Submit date：2015/01/14
W-tizrni Approximant  Lattice Inversion  Site Preference  Phase  Stability  Ti-zr-ni  Molecular-dynamics Simulation  Interatomic Potentials  Atomistic Simulation  Site Preference  Transition  Stability  Hydrogen  Program  Storage  
Synthesis and Crystal Structure of (R)-1-acetyl-6-(2-chloro-4-fluorophenyl)-4-methyl-N-((R)-1-phenylethyl)-2-(2,4,6-trifluorophenyl)-1,6-dihydropyrimidine-5-carboxamide 期刊论文
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2013, 卷号: 32, 期号: 7, 页码: 989-992
Authors:  Yang XiuYan;  Zhao GuoMing;  Yang ShiYing;  Li Song
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INHIBITION  HAPs  crystal structure  synthesis  
Strengthening of gamma-TiAl-Nb by short-range ordering of point defects 期刊论文
Intermetallics, 2011, 卷号: 19, 期号: 6, 页码: 793-796
Authors:  Y. J. Li;  Q. M. Hu;  D. S. Xu;  R. Yang
Adobe PDF(297Kb)  |  Favorite  |  View/Download：66/0  |  Submit date：2012/04/13
Titanium Aluminide  Point Defect Complex  First-principles Calculation  Solid-solution Strengthening  Titanium Aluminides  Solid-solutions  Alloys  Al  
The formation of stacking fault tetrahedra in Al and Cu II. SFT growth by successive absorption of vacancies generated by dipole annihilation (vol 59, pg 10, 2011) 期刊论文
Acta Materialia, 2011, 卷号: 59, 期号: 6, 页码: 2563-2563
Authors:  H. Wang;  D. S. Xu;  R. Yang;  P. Veyssiere
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Understanding corrosion inhibition mechanisms-experimental and theoretical approach 期刊论文
Rsc Advances, 2011, 卷号: 1, 期号: 5, 页码: 866-873
Authors:  E. E. Oguzie;  Y. Li;  S. G. Wang;  F. H. Wang
Adobe PDF(859Kb)  |  Favorite  |  View/Download：55/0  |  Submit date：2012/04/13
Universal Force-field  Mild-steel Corrosion  Molecular-structure  Organic-compounds  Sulfuric-acid  Carbon-steel  Simulation  Copper  Iron  Dft