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Insight into patina formed on beryllium-bronze after 29 years of exposure in an industrial environment and DFT research 期刊论文
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2024, 卷号: 31, 页码: 3801-3811
作者:  Liu, Yuwei;  Xing, Chenzhi;  Yu, Guocai;  Wang, Chuan;  Cao, Gongwang;  Cao, Shuo;  Wang, Zhenyao
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Beryllium-bronze  EIS  Polarization  XPS  Atmospheric corrosion  DFT  
Distribution of Be in a Ti-Based Bulk Metallic Glass Composite Containing B-Ti 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2017, 卷号: 33, 期号: 7, 页码: 708-711
作者:  Zhang, L.;  Li, W. Q.;  Zhu, Z. W.;  Fu, H. M.;  Li, H.;  Li, Z. K.;  Zhang, H. W.;  Wang, A. M.;  Zhang, H. F.;  Zhang, HF (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载：171/0  |  提交时间：2017/08/17
Bulk Metallic Glass (Bmg)  Metallic Glass Composite  Beryllium  Quasi-equilibrium  
Tensile Fractograph Analysis of Polycrystalline Beryllium with Different Elongations at Room Temperature 期刊论文
RARE METAL MATERIALS AND ENGINEERING, 2016, 卷号: 45, 期号: 3, 页码: 656-661
作者:  Xu Demei;  Li Feng;  Wang Zhanhong;  Zhong Jingming;  Li Zhinian;  Qin Gaowu
收藏  |  浏览/下载：101/0  |  提交时间：2021/02/02
FRACTURE-TOUGHNESS  polycrystalline beryllium  elongation  quasi-cleavage fracture  fiber zone  radiation zone  
Equilibrium geometries, stabilities, and electronic properties of the cationic AunBe+ (n=1-8) clusters: comparison with pure gold clusters 期刊论文
Journal of Molecular Modeling, 2012, 卷号: 18, 期号: 8, 页码: 3553-3562
作者:  P. Shao;  X. Y. Kuang;  Y. R. Zhao;  Y. F. Li;  S. J. Wang
收藏  |  浏览/下载：114/0  |  提交时间：2013/02/05
Aunbe++ Cluster  Density Functional Method  Geometrical Configuration  Ground-state  Beryllium Dimer  Co Oxidation  Transition  Chemistry  Polarizabilities  Au-n(+)  Atoms  Be-2  Cs  
Theoretical investigations of the EPR parameters and local structure for Cu2+in BeO 期刊论文
Radiation Effects and Defects in Solids, 2009, 卷号: 164, 期号: 2, 页码: 118-124
作者:  H. M. Zhang;  S. Y. Wu;  X. F. Wang;  Y. X. Hu;  L. L. Li
Adobe PDF(115Kb)  |  收藏  |  浏览/下载：63/0  |  提交时间：2012/04/13
Electron Paramagnetic Resonance  Defect Structures  Crystal Fields And  Spin Hamiltonians  Cu2++  Beo  Electron-paramagnetic-resonance  Atomic Screening Constants  Beryllium-oxide  3d Impurities  Scf Functions  Crystals  Luminescence  Excitation  Semiconductors  Spectra  
Phase transition and elastic properties of BeO under pressure from first-principles calculations 期刊论文
Physica B-Condensed Matter, 2009, 卷号: 404, 期号: 14-15, 页码: 1940-1946
作者:  B. R. Yu;  J. W. Yang;  H. Z. Guo;  G. F. Ji;  X. R. Chen
Adobe PDF(277Kb)  |  收藏  |  浏览/下载：84/0  |  提交时间：2012/04/13
First-principles Calculations  Phase Transitions  Elastic Properties  Beo  Beryllium-oxide  Single-crystal  Thermodynamic Properties  Electronic-properties  Theoretical Hardness  Superhard Materials  Hexagonal Beo  Boron-nitride  Ground-state  Stability  
First-principles calculations for electronic and optical properties of the zinc-blende structured BeS compound under pressure 期刊论文
Chinese Physics B, 2009, 卷号: 18, 期号: 10, 页码: 4443-4448
作者:  H. Yang;  J. Chang;  Z. Li;  X. R. Chen
Adobe PDF(858Kb)  |  收藏  |  浏览/下载：140/0  |  提交时间：2012/04/13
Density Functional Theory  Electronic Structure  Optical Properties  High Pressure  Bes  Beryllium Chalcogenides Bes  Ground-state Properties  Phase-transition  Band-structure  Ab-initio  Thermodynamic Properties  Elastic Properties  Bete  Approximation  Constants  
Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 23, 页码: 12
作者:  Hu, Chao-Hao;  Oganov, A. R.;  Wang, Y. M.;  Zhou, H. Y.;  Lyakhov, A.;  Hafner, J.
收藏  |  浏览/下载：100/0  |  提交时间：2021/02/02
ab initio calculations  beryllium compounds  crystal structure  density functional theory  desorption  energy gap  enthalpy  ground states  heat of formation  high-pressure solid-state phase transformations  hydrogen storage  lithium compounds  space groups  
Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 23, 页码: 12
作者:  Hu, Chao-Hao;  Oganov, A. R.;  Wang, Y. M.;  Zhou, H. Y.;  Lyakhov, A.;  Hafner, J.
收藏  |  浏览/下载：83/0  |  提交时间：2021/02/02
ab initio calculations  beryllium compounds  crystal structure  density functional theory  desorption  energy gap  enthalpy  ground states  heat of formation  high-pressure solid-state phase transformations  hydrogen storage  lithium compounds  space groups  
Crystal structure prediction of LiBeH(3) using ab initio total-energy calculations and evolutionary simulations 期刊论文
Journal of Chemical Physics, 2008, 卷号: 129, 期号: 23
作者:  C. H. Hu;  A. R. Oganov;  Y. M. Wang;  H. Y. Zhou;  A. Lyakhov;  J. Hafner
Adobe PDF(813Kb)  |  收藏  |  浏览/下载：84/0  |  提交时间：2012/04/13
Ab Initio Calculations  Beryllium Compounds  Crystal Structure  Density  Functional Theory  Desorption  Energy Gap  Enthalpy  Ground States  Heat  Of Formation  High-pressure Solid-state Phase Transformations  Hydrogen  Storage  Lithium Compounds  Space Groups  Hydrogen-storage Materials  Density-functional Calculations  Lithium-beryllium Hydrides  Augmented-wave Method  Light-metal Hydrides  Electronic-structure  Aluminum Hydrides  Phase-transition  Stability  Csmgh3