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浏览/检索结果: 共11条，第1-10条 帮助 限定条件 学科主题：Materials Science, Multidisciplinary     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 Physical properties and radiation tolerance of high-entropy pyrochlores Gd-2(Ti0.25Zr0.25Sn0.25Hf0.25)(2)O-7 and individual pyrochlores Gd2X2O7 (X=Ti, Zr, Sn, Hf) from first principles calculations 期刊论文 SCRIPTA MATERIALIA, 2022, 卷号: 220, 页码: 114898 作者:  Liu, Chenguang;  Peng Q(彭庆);  Shi, Tan;  Gao, Fei;  Li, Yuhong 收藏  |  浏览/下载：15/0  |  提交时间：2022/10/23 First principles  High entropy pyrochlore  Radiation tolerance  Physical properties   On the abnormal fast diffusion of solute atoms in alpha-Ti: A first-principles investigation 期刊论文 JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 740, 页码: 156-166 作者:  Zhang, LJ;  Chen, ZY;  Hu, QM;  Yang, R;  Hu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China. 收藏  |  浏览/下载：44/0  |  提交时间：2018/06/05 Grain-boundary Segregation  Austenitic Stainless-steel  Total-energy Calculations  Augmented-wave Method  Elastic Band Method  Alloying Elements  Self-diffusion  Impurity Diffusion  1st Principles  Saddle-points   The cluster-plus-glue-atom models of solid solution CuNi alloys: A first-principles study 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 143, 页码: 439-445 作者:  Lu, J;  Ma, SY;  Wang, XX;  Wang, SQ;  Ma, SY (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：38/0  |  提交时间：2018/06/05 Molecular-dynamics Simulation  Quasi-random Structures  Bulk Metallic Glasses  Composition Formulas  Ni Alloys  Approximation   Mapping deformation mechanisms in lamellar titanium aluminide 期刊论文 ACTA MATERIALIA, 2018, 卷号: 144, 页码: 835-843 作者:  Ji, ZW;  Lu, S;  Hu, QM;  Kim, D;  Yang, R 收藏  |  浏览/下载：163/0  |  提交时间：2018/06/05 Polysynthetically Twinned Crystals  Ordered Intermetallic Alloys  Total-energy Calculations  Stacking-fault Energies  Augmented-wave Method  Single-crystals  Temperature-dependence  Plastic-deformation  Yield-stress  Tial Alloys   Role of the X and n factors in ion-irradiation induced phase transformations of M(n+1)AX(n) phases 期刊论文 ACTA MATERIALIA, 2018, 卷号: 144, 页码: 432-446 作者:  Wang, CX;  Yang, TF;  Tracy, CL;  Xiao, JR;  Liu, SS 收藏  |  浏览/下载：33/0  |  提交时间：2018/06/05 Augmented-wave Method  Max Phases  Structural Transitions  Electronic-structure  Damage Evolution  Ti3alc2  Ti2alc  Ti3sic2  Ceramics  Ti4aln3   Elastic properties of high entropy alloys by MaxEnt approach 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 142, 页码: 332-337 作者:  Zheng, SM;  Feng, WQ;  Wang, SQ;  Zheng, SM (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：14/0  |  提交时间：2018/06/05 Mechanical-properties  Design   Vacancy formation enthalpies of high-entropy FeCoCrNi alloy via first-principles calculations and possible implications to its superior radiation tolerance 期刊论文 JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 2, 页码: 355-364 作者:  Chen, WL;  Ding, XY;  Feng, YC;  Liu, XJ;  Liu, K 收藏  |  浏览/下载：33/0  |  提交时间：2018/06/05 Total-energy Calculations  Solid-solution Alloys  Augmented-wave Method  Mechanical-properties  Single-phase  Multiprincipal Elements  Compressive Properties  Multicomponent Alloys  Wear-resistance  Basis-set   Tunable Catalytic Performance of Single Pt Atom on Doped Graphene in Direct Dehydrogenation of Propane by Rational Doping: A Density Functional Theory Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 3, 页码: 1570-1576 作者:  Sun, XY;  Han, P;  Li, B;  Zhao, Z;  Zhao, Z (reprint author), Shenyang Normal Univ, Inst Catalysis Energy & Environm, Coll Chem & Chem Engn, Shenyang 110034, Liaoning, Peoples R China. 收藏  |  浏览/下载：29/0  |  提交时间：2018/06/05 h Bond Activation  Nanostructured Carbon Catalysts  Total-energy Calculations  Augmented-wave Method  Heterogeneous Catalysis  1st Principles  Basis-set  Platinum  Reactivity  Surfaces   The electronic and mechanical properties of tetragonal YB2C as explored by first-principles methods 期刊论文 ELSEVIER SCIENCE SA, 2017, 卷号: 726, 页码: 173-178 作者:  Ma, Huannan;  Mi, Guofa;  Cheng, Xiyue;  Liu, Chen;  Li, Dianzhong 收藏  |  浏览/下载：220/0  |  提交时间：2018/01/10 Layered Rare Earth Borocarbide  Electronic Structure  Ideal Strength  First-principle Calculations   Atomic self-diffusion anisotropy of HCP metals from first-principles calculations 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 128, 页码: 236-242 Zhang, Lian-Ji; Spiridonova, Tatiana I.; Kulkova, Svetlana E.; Yang, Rui; Hu, Qing-Miao 收藏  |  浏览/下载：20/0  |  提交时间：2017/08/17 Atomic diffusion  HCP metals  First-principles calculations