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Solid solution strengthening of high-entropy alloys from first-principles study 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 121, 页码: 105-116
Authors:  Zhang, H. L.;  Cai, D. D.;  Sun, X.;  Huang, H.;  Lu, S.;  Wang, Y. Z.;  Hu, Q. M.;  Vitos, L.;  Ding, X. D.
Favorite  |  View/Download:36/0  |  Submit date:2022/07/01
Alloys  Solid solution strengthening  Hardness  Size misfit parameter  Shear modulus misfit parameter  First-principles calculations  
The surface energy and stress of metals 期刊论文
SURFACE SCIENCE, 2018, 卷号: 674, 页码: 51-68
Authors:  Lee, J. -Y.;  Punkkinen, M. P. J.;  Schonecker, S.;  Nabi, Z.;  Kadas, K.;  Zolyomi, V.;  Koo, Y. M.;  Hu, Q. -M.;  Ahuja, R.;  Johansson, B.;  Kollar, J.;  Vitos, L.;  Kwon, S. K.
Favorite  |  View/Download:38/0  |  Submit date:2021/02/02
Surface relaxation  Surface energy  Surface stress  Density-functional theory calculations  Metals  
Influence of alloying elements Nb, Zr, Sn, and oxygen on structural stability and elastic properties of the Ti2448 alloy 期刊论文
Physical Review B, 2014, 卷号: 89, 期号: 1
Authors:  J. H. Dai;  Y. Song;  W. Li;  R. Yang;  L. Vitos
Favorite  |  View/Download:71/0  |  Submit date:2014/04/18
Plastic-deformation Mechanism  Titanium-alloys  Martensitic-transformation  Biomedical Applications  Multifunctional  Alloys  Youngs Modulus  Gum Metal  Superelasticity  Strength  1st-principles  
Theoretical investigation of the omega-related phases in TiAl-Nb/Mo alloys 期刊论文
Physical Review B, 2014, 卷号: 90, 期号: 5
Authors:  Q. M. Hu;  L. Vitos;  R. Yang
Favorite  |  View/Download:43/0  |  Submit date:2015/01/14
Total-energy Calculations  Quasi-random Structures  Wave Basis-set  1st-principles Calculations  Potential Model  Stability  Metals  Transformations  Approximation  Aluminides  
Generalized stacking fault energies of alloys 期刊论文
Journal of Physics-Condensed Matter, 2014, 卷号: 26, 期号: 26
Authors:  W. Li;  S. Lu;  Q. M. Hu;  S. K. Kwon;  B. Johansson;  L. Vitos
Favorite  |  View/Download:70/0  |  Submit date:2015/01/14
Stacking Fault Energy  Random Alloy  Ab Initio  Molecular-dynamics Simulation  Austenitic Stainless-steels  Close-packed  Metals  Nanocrystalline Aluminum  Plastic-deformation  Fcc Metals  Copper  Approximation  Temperature  Nucleation  
Magnetic effect on the interfacial energy of the Ni(111)/Cr(110) interface 期刊论文
Journal of Physics-Condensed Matter, 2014, 卷号: 26, 期号: 35
Authors:  S. Lu;  H. L. Zhang;  Q. M. Hu;  M. P. J. Punkkinen;  B. Johansson;  L. Vitos
Favorite  |  View/Download:56/0  |  Submit date:2015/01/14
Ni/cr Interface  Interfacial Energy  Work Of Separation  Ab Initio  Ni-cr Alloy  Augmented-wave Method  Fcc-bcc Boundaries  Ab-initio  Crystallography  Simulation  Morphology  Metals  Misfit  Shape  
Ab initio investigation of the elastic properties of Ni3Fe 期刊论文
Physical Review B, 2013, 卷号: 88, 期号: 17
Authors:  G. S. Wang;  Q. M. Hu;  K. Kokko;  B. Johansson;  L. Vitos
Favorite  |  View/Download:66/0  |  Submit date:2014/02/19
Single-crystal Alloys  Coherent-potential Approximation  Order-disorder  Stiffness Coefficients  Configurational Order  Room-temperature  Atomic  Volume  Phase  Stability  Constants  
The effect of long-range order on the elastic properties of Cu3Au 期刊论文
Journal of Physics-Condensed Matter, 2013, 卷号: 25, 期号: 8
Authors:  G. S. Wang;  E. K. Delczeg-Czirjak;  Q. M. Hu;  K. Kokko;  B. Johansson;  L. Vitos
Favorite  |  View/Download:49/0  |  Submit date:2013/12/24
Coherent-potential Approximation  Au-cu Alloys  Mg Alloys  Constants  Energy  Metals  Gold  Transition  Pressure  Model  
The effect of Al on the 475 degrees C embrittlement of Fe-Cr alloys 期刊论文
Computational Materials Science, 2013, 卷号: 74, 页码: 101-106
Authors:  W. Li;  S. Lu;  Q. M. Hu;  H. H. Mao;  B. Johansson;  L. Vitos
Favorite  |  View/Download:48/0  |  Submit date:2013/12/24
Ab Initio  475 Degrees c Embrittlement  Stainless Steel  Interfacial  Energy  Phase Separation  Phase-separation Kinetics  Stainless-steels  System  
Magnetic ordering and physical stability of X2Mn1+xSn1-x (X = Ru, Os, Co, Rh, Ni, Pd, Cu, and Ag) Heusler alloys from a first-principles study 期刊论文
Physical Review B, 2013, 卷号: 88, 期号: 1
Authors:  C. M. Li;  Q. M. Hu;  R. Yang;  B. Johansson;  L. Vitos
Favorite  |  View/Download:53/0  |  Submit date:2013/12/24
Crystal-structure  Martensitic-transformation  Phase-transformation  Electronic-structure  Sn  Transition  Metals  Field