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Factors affecting eutectic Si modification in Al-Si hypoeutectic alloy with the addition of Na, Sr, Eu and Yb 期刊论文
MATERIALS LETTERS, 2022, 卷号: 308, 页码: 3
作者:  Zhang, Lili;  Ji, Zong-wei;  Zhao, Jiuzhou;  He, Jie;  Jiang, Hongxiang
收藏  |  浏览/下载：163/0  |  提交时间：2022/01/27
Modification  Interaction energy parameter  Heat for formation  Interfacial energy  Solidification  Metals and alloys  
First-principles study of dopant stability and related optical properties in CdSiP2 crystal 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 802, 页码: 310-317
作者:  Wang, Ci;  Zhang, Jian;  Hu, Qingmiao;  Tao, Xutang
收藏  |  浏览/下载：122/0  |  提交时间：2021/02/02
First-principles calculations  CdSiP2  Doping defects  Formation energy  Optical property  
First-principles study of dopant stability and related optical properties in CdSiP2 crystal 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 802, 页码: 310-317
作者:  Wang, Ci;  Zhang, Jian;  Hu, Qingmiao;  Tao, Xutang
收藏  |  浏览/下载：134/0  |  提交时间：2021/02/02
First-principles calculations  CdSiP2  Doping defects  Formation energy  Optical property  
Study on Ni-Doped Anatase by First Principle Method 期刊论文
CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2017, 卷号: 33, 期号: 1, 页码: 41-48
作者:  Yu Zhi-Qing;  Wang Xun;  Tian Ang;  Liu Yan-Xia;  Yang He;  Xue Xiang-Xin;  Xue, XX (reprint author), Northeastern Univ, Sch Met, Shenyang 110819, Peoples R China.;  Xue, XX (reprint author), Key Lab Liaoning Prov Recycling Sci Met Resources, Shenyang 110819, Peoples R China.
收藏  |  浏览/下载：160/0  |  提交时间：2017/08/17
Ni-doping  The First Principles Method  Electronic Structures  Formation Energy  
First-principles calculations of crystal and electronic structures and thermodynamic stabilities of La-Ni-H, La-Ni-Al-H and La-Ni-Al-Mn-H hydrogen storage compounds 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2016, 卷号: 41, 期号: 28, 页码: 12194-12204
作者:  Liu, GL;  Chen, DM;  Wang, YM;  Yang, K;  Wang, YM (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China.
收藏  |  浏览/下载：117/0  |  提交时间：2016/12/28
Formation Energy  Stability  Bonding Interactions  Thermodynamic Properties  
Methane Dissociation on Li-, Na-, K-, and Cu-Doped Flat and Stepped CaO(001) 期刊论文
Journal of Physical Chemistry C, 2013, 卷号: 117, 期号: 14, 页码: 7114-7122
作者:  X. Y. Sun;  B. Li;  H. Metiu
收藏  |  浏览/下载：112/0  |  提交时间：2013/12/24
Evans-polanyi Relation  Minimum Energy Paths  Initio Molecular-dynamics  Transition-metal Surfaces  Oxygen-vacancy Formation  Finding  Saddle-points  Augmented-wave Method  Elastic Band Method  Co Oxidation  Heterogeneous Catalysis  
First-principles Study of Point Defects in Stoichiometric and Non-stoichiometric Y4Al2O9 期刊论文
Journal of Materials Science & Technology, 2013, 卷号: 29, 期号: 12, 页码: 1161-1165
作者:  Z. Li;  B. Liu;  J. M. Wang;  L. C. Sun;  J. Y. Wang;  Y. C. Zhou;  Z. J. Hu
收藏  |  浏览/下载：102/0  |  提交时间：2014/02/19
Ternary Y-al-o Oxide  Defect Formation Energy  Chemical Potential  Mechanical-properties  Elastic Stiffness  Phase-transition  Crystals  Photoluminescence  Luminescence  Simulation  Ceramics  Oxides  Yag  
Significance of stacking fault energy on microstructural evolution in Cu and Cu-Al alloys processed by high-pressure torsion 期刊论文
Philosophical Magazine, Philosophical Magazine, 2011, 2011, 卷号: 91, 91, 期号: 25, 页码: 3307-3326, 3307-3326
作者:  X. H. An;  Q. Y. Lin;  S. D. Wu;  Z. F. Zhang;  R. B. Figueiredo;  N. Gao;  T. G. Langdon
Adobe PDF(3551Kb)  |  收藏  |  浏览/下载：134/0  |  提交时间：2012/04/13
Copper  Copper  Cu-al Alloys  Cu-al Alloys  Stacking Fault Energy  Stacking Fault Energy  High-pressure Torsion  High-pressure Torsion  Hardness  Hardness  Homogeneity  Homogeneity  Severe Plastic-deformation  Severe Plastic-deformation  Centered-cubic Metals  Centered-cubic Metals  Grain-refinement  Grain-refinement  Mechanical-properties  Mechanical-properties  Nanostructure Formation  Nanostructure Formation  Structural Refinement  Structural Refinement  Aluminum-alloy  Aluminum-alloy  Shear Strain  Shear Strain  Pure Metals  Pure Metals  Copper  Copper  
Microstructural evolution and shear fracture of Cu-16 at.% Al alloy induced by equal channel angular pressing 期刊论文
Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing, 2010, 卷号: 527, 期号: 16-17, 页码: 4510-4514
作者:  X. H. An;  Q. Y. Lin;  S. D. Wu;  Z. F. Zhang
Adobe PDF(1544Kb)  |  收藏  |  浏览/下载：88/0  |  提交时间：2012/04/13
Cu-al Alloys  Stacking Fault Energy (Sfe)  Equal Channel Angular  Pressing (Ecap)  Microstructure  Shear Band  Stacking-fault Energy  High-pressure Torsion  Mechanical-properties  Room-temperature  Nanostructure Formation  Plastic-deformation  Single-crystal  Grain-size  Metals  Copper  
Influence of Nb doping on oxidation resistance of gamma-TiAl: A first principles study 期刊论文
Acta Physica Sinica, 2009, 卷号: 58, 期号: 6, 页码: S224-S229
作者:  H. Li;  S. Q. Wang;  H. Q. Ye
Adobe PDF(1045Kb)  |  收藏  |  浏览/下载：151/0  |  提交时间：2012/04/13
Gamma-tial  High Temperature Oxidation  Nb Doping  Formation Energy  Intermetallic Alloys  Isothermal Oxidation  Ion-implantation  Behavior  Surface  Temperature  Coatings  Elements  1st-principles  900-degrees-c