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浏览/检索结果: 共13条，第1-10条 帮助 限定条件 发表日期：2020    专题：金属研究所    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 AN AB INITIO INVESTIGATION OF THE EFFECT OF Co, Ru, W, Ta ON THE STABILITY AND ELECTRONIC PROPERTIES OF Ni-BASE SINGLE CRYSTAL SUPERALLOYS 期刊论文 DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES, 2020, 卷号: 15, 期号: 4, 页码: 1215-1226 作者:  Liu, J.;  Du, X.;  Li, J. 收藏  |  浏览/下载：10/0  |  提交时间：2021/03/15 Site occupancy  Ab initio calculations  Ni-based single crystal superalloys  Electronic structure   Predicting the variation of stacking fault energy for binary Cu alloys by first-principles calculations 期刊论文 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2020, 卷号: 53, 页码: 61-65 作者:  Cai, T.;  Li, K. Q.;  Zhang, Z. J.;  Zhang, P.;  Liu, R. 收藏  |  浏览/下载：32/0  |  提交时间：2021/02/02 Cu-alloy  Deformation behavior  First-principles calculation  Stacking fault energy   First-Principles Study on Free Energy and Elastic Properties of Disordered beta-Ti1-xNbx Alloy: Comparison Between SQS and CPA 期刊论文 ACTA METALLURGICA SINICA, 2020, 卷号: 56, 期号: 9, 页码: 1304-1312 作者:  Zhang Haijun;  Qiu Shi;  Sun Zhimei;  Hu Qingmiao;  Yang Rui 收藏  |  浏览/下载：13/0  |  提交时间：2021/02/02 titanium alloy  random solid solution  special quasirandom structure  coherent potential approximation  elastic constant  first-principles calculation   The catalytic performance of metal-free defected carbon catalyst towards acetylene hydrochlorination revealed from first-principles calculation 期刊论文 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2020, 页码: 8 作者:  Ali, Sajjad;  Khan, Muhammad Baber Azam;  Khan, Said Alam;  Noora 收藏  |  浏览/下载：22/0  |  提交时间：2021/02/02 acetylene hydrochlorination  defected carbon  density functional theory  metal-free catalyst   Theoretical investigation of phonon contributions to thermal expansion coefficients for rare earth monosilicates RE2SiO5 (RE = Dy, Ho, Er, Tm, Yb and Lu) 期刊论文 JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2020, 卷号: 40, 期号: 7, 页码: 2658-2666 作者:  Li, Yiran;  Wang, Jiemin;  Wang, Jingyang 收藏  |  浏览/下载：41/0  |  提交时间：2021/02/02 Rare earth silicate  First-principles calculation  Lattice dynamics  Thermal expansion  Environmental barrier coating   New insights into formation mechanism of interfacial twin boundary omega-phase in metastable beta-Ti alloys 期刊论文 MATERIALS CHARACTERIZATION, 2020, 卷号: 164, 页码: 7 作者:  Chen, Wei;  Cao, Shuo;  Zhang, Jinyu;  Zha, You;  Hu, Qingmiao 收藏  |  浏览/下载：14/0  |  提交时间：2021/02/02 beta-Titanium alloys  omega-Precipitates  Phase transformation  Reorientation  TEM characterization  First-principles calculation   New insights into formation mechanism of interfacial twin boundary omega-phase in metastable beta-Ti alloys 期刊论文 MATERIALS CHARACTERIZATION, 2020, 卷号: 164, 页码: 7 作者:  Chen, Wei;  Cao, Shuo;  Zhang, Jinyu;  Zha, You;  Hu, Qingmiao 收藏  |  浏览/下载：6/0  |  提交时间：2021/02/02 beta-Titanium alloys  omega-Precipitates  Phase transformation  Reorientation  TEM characterization  First-principles calculation   Understanding crystallographic orientation dependent dissolution rates of 90Cu-10Ni alloy: New insights based on AFM/SKPFM measurements and coordination number/electronic structure calculations 期刊论文 CORROSION SCIENCE, 2020, 卷号: 164, 页码: 11 作者:  Ma, Aili;  Zhang, Lianji;  Engelberg, Dirk;  Hu, Qingmiao;  Guan, Shaokang 收藏  |  浏览/下载：21/0  |  提交时间：2021/02/02 Alloy  Copper  AFM  Acid corrosion   Development and application of EAM potentials for Ti, Al and Nb with enhanced planar fault energy of Ti 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 173, 页码: 12 作者:  Cheng, Chao;  Ma, Yunli;  Bao, Qili;  Wang, Xun;  Sun, Jiaxing 收藏  |  浏览/下载：13/0  |  提交时间：2021/02/02 EAM potentials  Dislocation properties  Generalized stacking fault energy  First-principles  Molecular dynamics   Anionic redox in a-(Mo3S11)(n) polymer cathode for all-solid-state Li-ion battery 期刊论文 ELECTROCHIMICA ACTA, 2020, 卷号: 332, 页码: 8 作者:  Quang Duc Truong;  Yin, Li-Chang;  Hung, Nguyen T.;  Nguyen, Duc N.;  Gambe, Yoshiyuki 收藏  |  浏览/下载：19/0  |  提交时间：2021/02/02 Lithium ion battery  Amorphous metal-polysulfides  Anionic redox  First principles calculation