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Ab initio study of dynamical properties of U-Nb alloy melt* 期刊论文
CHINESE PHYSICS B, 2021, 卷号: 30, 期号: 12, 页码: 8
作者:  Shi, Yong-Peng;  Liu, Ming-Feng;  Chen, Yun;  Mo, Wen-Lin;  Li, Dian-Zhong;  Fa, Tao;  Bai, Bin;  Wang, Xiao-Lin;  Chen, Xing-Qiu
收藏  |  浏览/下载：96/0  |  提交时间：2022/07/01
U-Nb alloy melt  dynamical properties  ab initio study  
First-principles investigations on structural stability, mechanical, and thermodynamic properties of LaT2Al20 (T = Ti, V, Cr, Nb, and Ta) intermetallic cage compounds 期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 12
作者:  Quan Shanyu;  Zhang Xudong;  Liu Cong;  Jiang Wei
收藏  |  浏览/下载：109/0  |  提交时间：2021/02/02
MAGNETIC-PROPERTIES  CRYSTAL-STRUCTURE  PRECIPITATION KINETICS  THERMAL-PROPERTIES  ELASTIC PROPERTIES  PHASE-STABILITY  AB-INITIO  ZR  SC  ALLOYS  LaT2Al20 intermetallics  mechanical properties  anisotropic properties  dynamical and thermodynamic properties  first-principles calculations  
Softening of hydroxyapatite by vacancies: A first principles investigation 期刊论文
Materials Science & Engineering C-Materials for Biological Applications, 2013, 卷号: 33, 期号: 3, 页码: 1109-1115
作者:  J. P. Sun;  Y. Song;  G. W. Wen;  Y. Wang;  R. Yang
收藏  |  浏览/下载：213/0  |  提交时间：2013/12/24
Elastic Properties  Vacancy  Hydroxyapatite  First-principles  Calcium-phosphate Coatings  Coated Acetabular Cups  Augmented-wave  Method  Nonstoichiometric Apatite  Dynamical Properties  Powder  Diffraction  Elastic Properties  Aqueous-solution  Bioceramics  Crystals  
Studies on thermodynamic properties of III-V compounds by first-principles response-function calculation 期刊论文
Physica Status Solidi B-Basic Solid State Physics, Physica Status Solidi B-Basic Solid State Physics, 2009, 2009, 卷号: 246, 246, 期号: 7, 页码: 1618-1627, 1618-1627
作者:  S. Q. Wang
Adobe PDF(1027Kb)  |  收藏  |  浏览/下载：99/0  |  提交时间：2012/04/13
Ab-initio Calculation  Ab-initio Calculation  Bond-charge Model  Bond-charge Model  Space Gaussian  Space Gaussian  Pseudopotentials  Pseudopotentials  Temperature Thermal-expansion  Temperature Thermal-expansion  Lattice-dynamical  Lattice-dynamical  Properties  Properties  Pressure Dependences  Pressure Dependences  Gruneisen Parameters  Gruneisen Parameters  Phonon  Phonon  Dispersions  Dispersions  Elastic Properties  Elastic Properties  Electron-gas  Electron-gas  
Ab initio investigation of the pressure dependences of phonon and dielectric properties for III-V semiconductors 期刊论文
Journal of Physics-Condensed Matter, 2005, 卷号: 17, 期号: 28, 页码: 4475-4488
作者:  S. Q. Wang;  H. Q. Ye
收藏  |  浏览/下载：60/0  |  提交时间：2012/04/14
Lattice-dynamical Properties  Functional Perturbation-theory  Bond-orbital Model  Effective Charges  Lonsdaleite Phases  Raman-scattering  Force-constants  1st-principles  Crystals  Diamond