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First-principles study of thermodynamic properties and solubility of aluminum-rare-earth intermetallics 期刊论文
Computational Materials Science, 2014, 卷号: 90, 页码: 56-60
Authors:  X. D. Zhang;  S. Q. Wang
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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
Authors:  X. Y. Cheng;  X. Q. Chen;  D. Z. Li;  Y. Y. Li
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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
Authors:  H. Y. Niu;  X. Q. Chen;  W. J. Ren;  Q. Zhu;  A. R. Oganov;  D. Z. Li;  Y. Y. Li
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First-principles study of ground-state properties of U2Mo 期刊论文
Physical Chemistry Chemical Physics, 2014, 卷号: 16, 期号: 48, 页码: 26974-26982
Authors:  X. Wang;  X. Y. Cheng;  Y. T. Zhang;  R. H. Li;  W. W. Xing;  P. C. Zhang;  X. Q. Chen
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The microstructure, stability, and elastic properties of 14H long-period stacking-ordered phase in Mg-Zn-Y alloys: a first-principles study 期刊论文
Journal of Materials Science, 2014, 卷号: 49, 期号: 2, 页码: 737-748
Authors:  S. Y. Ma;  L. M. Liu;  S. Q. Wang
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Selective Hydrogenation of Cinnamaldehyde to Cinnamal Alcohol over Platinum/Graphene Catalysts 期刊论文
Chemcatchem, 2014, 卷号: 6, 期号: 11, 页码: 3246-3253
Authors:  X. W. Ji;  X. Y. Niu;  B. Li;  Q. Han;  F. L. Yuan;  F. Zaera;  Y. J. Zhu;  H. G. Fu
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Surface Structural Reconstruction for Optical Response in Iodine-Modified TiO2 Photocatalyst System 期刊论文
Journal of Physical Chemistry C, 2014, 卷号: 118, 期号: 25, 页码: 13726-13732
Authors:  L. J. Zhang;  J. Zhou;  J. Li;  G. Liu;  X. Lin;  B. H. Mao;  R. D. Liu;  S. Zhang;  J. Q. Wang
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Atomic-scale configurations of synchroshear-induced deformation twins in the ionic MnS crystal 期刊论文
Scientific Reports, 2014, 卷号: 4
Authors:  Y. T. Zhou;  Y. B. Xue;  D. Chen;  Y. J. Wang;  B. Zhang;  X. L. Ma
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Revisit of the relationship between the elastic properties and sound velocities at high pressures 期刊论文
Journal of Applied Physics, 2014, 卷号: 116, 期号: 10
Authors:  C. J. Wang;  S. K. Xiang;  J. B. Gu;  X. Y. Kuang;  Y. Yu;  X. Z. Yan;  H. Y. Chen
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Molecular dynamics simulations of influence of Re on lattice trapping and fracture stress of cracks in Ni 期刊论文
Computational Materials Science, 2014, 卷号: 83, 页码: 196-206
Authors:  Z. G. Liu;  C. Y. Wang;  T. Yu
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