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Computational materials discovery: the case of the W-B system 期刊论文
Acta Crystallographica Section C-Crystal Structure Communications, 2014, 卷号: 70, 页码: 85-U50
作者:  X. Y. Cheng;  X. Q. Chen;  D. Z. Li;  Y. Y. Li
收藏  |  浏览/下载:176/0  |  提交时间:2014/04/18
Computational Materials Discovery  Crystal Structure  Tungsten Borides  Phase Stabilities  Mechanical Properties  Density Functional Theory  Variable-compositional Evolutionary Search  Crystal-structure Prediction  Initio Molecular-dynamics  Total-energy  Calculations  Transition-metal Borides  Augmented-wave Method  Tungsten  Tetraboride  Mechanical-properties  Superhard Materials  Solid-solutions  Single-crystal  
Variable-composition structural optimization and experimental verification of MnB3 and MnB4 期刊论文
Physical Chemistry Chemical Physics, 2014, 卷号: 16, 期号: 30, 页码: 15866-15873
作者:  H. Y. Niu;  X. Q. Chen;  W. J. Ren;  Q. Zhu;  A. R. Oganov;  D. Z. Li;  Y. Y. Li
收藏  |  浏览/下载:112/0  |  提交时间:2015/01/14
Crystal-structure Prediction  Superhard Rhenium Diboride  Total-energy  Calculations  Wave Basis-set  Tungsten Tetraboride  Metal Borides  1st-principles  Search  Boron  Principles  
Interstitial-boron solution strengthened WB3+x 期刊论文
Applied Physics Letters, 2013, 卷号: 103, 期号: 17
作者:  X. Y. Cheng;  W. Zhang;  X. Q. Chen;  H. Y. Niu;  P. T. Liu;  K. Du;  G. Liu;  D. Z. Li;  H. M. Cheng;  H. Q. Ye;  Y. Y. Li
收藏  |  浏览/下载:135/0  |  提交时间:2013/12/24
Superhard Rhenium Diboride  Tungsten Tetraboride  Metal Borides  Pressure  Principles  Search  Energy  Hard  
Preparation and characterization of superhard AlB2-type WB2 nanocomposite coatings 期刊论文
Physica Status Solidi a-Applications and Materials Science, 2013, 卷号: 210, 期号: 6, 页码: 1221-1227
作者:  C. L. Jiang;  Z. L. Pei;  Y. M. Liu;  J. Q. Xiao;  J. Gong;  C. Sun
收藏  |  浏览/下载:197/0  |  提交时间:2013/12/24
Hardness  Magnetron Sputtering  Metastable Phases  Superhard Coatings  Wb2  Tungsten Tetraboride  Rhenium Diboride  Phase-transition  Metal Borides  Pressure  System  
Determination of the thermal properties of AlB2-type WB2 期刊论文
Applied Surface Science, 2013, 卷号: 288, 页码: 324-330
作者:  C. L. Jiang;  Z. L. Pei;  Y. M. Liu;  H. Lei;  J. Gong;  C. Sun
收藏  |  浏览/下载:123/0  |  提交时间:2013/12/24
Alb2-type Wb2  In-situ X-ray Diffraction  Quasi-harmonic Debye  Approximation  Thermal Expansion  Melting Point  Heat Capacity  Superhard Rhenium Diboride  Tungsten Tetraboride  Borides  Approximation  Stability  Crystals  Model  State