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第一性原理研究反位缺陷对TiAl基合金力学行为的影响 期刊论文
金属学报, 2019, 卷号: 55, 期号: 05, 页码: 673-682
Authors:  吉宗威;  卢松;  于慧;  胡青苗;  Vitos Levente;  杨锐
Favorite  |  View/Download:1/0  |  Submit date:2020/01/06
反位缺陷  TiAl基合金  广义层错能  塑性变形  
First-principles investigations of omega variant selection during athermal beta -> omega transformation of binary Ti-xMo alloy 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 155, 页码: 524-533
Authors:  Zhu, JL;  Cao, S;  Wang, YZ;  Yang, R;  Hu, QM
Favorite  |  View/Download:2/0  |  Submit date:2018/12/25
Titanium alloys  Phase transformation  Variant selection  First-principles calculation  
The surface energy and stress of metals 期刊论文
SURFACE SCIENCE, 2018, 卷号: 674, 页码: 51-68
Authors:  Lee, JY;  Punkkinen, MPJ;  Schonecker, S;  Nabi, Z;  Kadas, K;  Zolyomi, V;  Koo, YM;  Hu, QM;  Ahuja, R;  Johansson, B;  Kollar, J;  Vitos, L;  Kwon, SK
Favorite  |  View/Download:3/0  |  Submit date:2018/12/25
Surface relaxation  Surface energy  Surface stress  Density-functional theory calculations  Metals  
Influence of atomic mixing and atomic order on molar volume of the binary sigma phase 期刊论文
INTERMETALLICS, 2018, 卷号: 98, 页码: 95-105
Authors:  Liu, W;  Lu, XG;  Boulet, P;  Record, MC;  Wang, H;  Hu, QM
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Sigma phase  Molar volume  Atomic order  Order degree  Atomic mixing  EMTO-CPA  
Experimental and DFT characterization of interphase boundaries in titanium and the implications for omega-assisted alpha phase precipitation 期刊论文
ACTA MATERIALIA, 2018, 卷号: 151, 页码: 406-415
Authors:  Li, DD;  Wan, WF;  Zhu, LQ;  Jiang, Y;  Shao, SQ;  Yang, GJ;  Liu, HQ;  Yi, DQ;  Cao, S;  Hu, QM;  Liu, HQ (reprint author), Cent S Univ, Sch Mat Sci & Engn, Key Lab Nonferrous Mat MOE, Changsha 410083, Hunan, Peoples R China.
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Beta-ti Alloys  Transformations  Nucleation  Mechanism  Energy  
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
Authors:  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.
Favorite  |  View/Download:31/0  |  Submit date: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  
Influence of atomic order on the enthalpy of formation and bulk modulus of the sigma phase 期刊论文
FLUID PHASE EQUILIBRIA, 2018, 卷号: 459, 页码: 238-243
Authors:  Liu, W;  Lu, XG;  Boulet, P;  Record, MC;  Hu, QM;  Lu, XG (reprint author), Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China.;  Lu, XG (reprint author), Shanghai Univ, State Key Lab Adv Special Steel, Shanghai, Peoples R China.;  Record, MC (reprint author), Univ Toulon & Var, Aix Marseille Univ, CNRS, IM2NP, Marseille, France.
Favorite  |  View/Download:20/0  |  Submit date:2018/06/05
Close-packed Phases  Potential Model  Molar Volume  Cr Alloys  Fe-cr  Approximation  Superalloys  Systems  Ta  
Thermal vacancy formation enthalpy of random solid solutions: The FePt case 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 143, 页码: 206-211
Authors:  Luo, HB;  Hu, QM;  Du, J;  Yan, AR;  Liu, JP;  Luo, HB (reprint author), Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Key Lab Magnet Mat & Devices, Ningbo 315201, Zhejiang, Peoples R China.
Favorite  |  View/Download:15/0  |  Submit date:2018/06/05
Potential Model  Alloys  Nanoparticles  Coercivity  Transition  Energetics  Metals  Energy  
Mapping deformation mechanisms in lamellar titanium aluminide 期刊论文
ACTA MATERIALIA, 2018, 卷号: 144, 页码: 835-843
Authors:  Ji, ZW;  Lu, S;  Hu, QM;  Kim, D;  Yang, R;  Vitos, L;  Hu, QM (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.;  Lu, S (reprint author), Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
Favorite  |  View/Download:26/0  |  Submit date: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  
Strain rate-induced plasticity in bcc beta-Ti alloy single crystal micropillars containing brittle omega-precipitates 期刊论文
MATERIALS & DESIGN, 2018, 卷号: 137, 页码: 404-413
Authors:  Chen, W;  Huang, ZW;  Cao, S;  Pan, Y;  Huang, MD;  Hu, QM;  Xu, D;  Sun, QY;  Xiao, L;  Sun, J;  Huang, ZW (reprint author), Cent S Univ, State Key Lab Power Met, Changsha 410033, Hunan, Peoples R China.;  Hu, QM (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.
Favorite  |  View/Download:20/0  |  Submit date:2018/06/05
Total-energy Calculations  Wave Basis-set  Rate Sensitivity  Titanium-alloy  Biomedical Applications  Phase-transformations  Mechanical-properties  Tensile Deformation  Grain-size  Strength