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Atomistic simulations of Epoxy/Water/Aluminum systems using the ReaxFF method 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 173, 页码: 11
作者:  Soleymanibrojeni, Mohammad;  Shi, Hongwei;  Liu, Fuchun;  Han, En-Hou
收藏  |  浏览/下载:159/0  |  提交时间:2021/02/02
Radial distribution function  Water self-diffusion  Glass transition temperature  Alumina interface  Aluminum ion hydration shells  Water aluminum reaction  
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:159/0  |  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  
Deformation induced alloying in crystalline - metallic glass nano-composites 期刊论文
Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing, 2015, 卷号: 628, 页码: 269-280
作者:  W.;  Yao Guo, J.;  Jagle, E. A.;  Choi, P. P.;  Herbig, M.;  Schneider, J. M.;  Raabe, D.
收藏  |  浏览/下载:166/0  |  提交时间:2015/05/08
Deformation Induced Alloying  Multilayers  Nanocrystalline  Metallic  Glass  Shear Band  Atom Probe Tomography  Mechanical-behavior  Orientation Dependence  Specimen Preparation  Single-crystals  Self-diffusion  Length-scale  Shear Bands  Cu-ag  Copper  Multilayers  
A molecular dynamic investigation of viscosity and diffusion coefficient of nanoclusters in hydrocarbon fluids 期刊论文
Computational Materials Science, 2015, 卷号: 99, 页码: 242-246
作者:  A.;  Stair Loya, J. L.;  Jafri, A. R.;  Yang, K.;  Ren, G. G.
收藏  |  浏览/下载:137/0  |  提交时间:2015/05/08
Diffusion Coefficient  Nano-fluids  Molecular Dynamics  Viscosity  Lammps  Self-diffusion  Tribological Properties  Heat-transfer  Oil  Nanoparticles  Enhancement  Simulations  Nanofluids  Mixtures  Paraffin  
Corrosion of Binary Fe-Si Alloys in Reducing Oxidizing and Sulfidizing-Oxidizing Atmospheres at 700 A degrees C 期刊论文
Oxidation of Metals, 2014, 卷号: 81, 期号: 3-4, 页码: 477-502
作者:  L. L. Liu;  Q. Q. Guo;  C. L. Zeng;  Y. Niu
收藏  |  浏览/下载:123/0  |  提交时间:2014/04/18
Fe-si Alloys  Sulfidation  Oxidation  Si Effect  High-temperature Oxidation  Internal Oxidation  Containing Steels  Ferrous Sulfide  Self-diffusion  Iron  Carbon  600-800-degrees-c  Silicon  Oxygen  
Mechanisms of Mono-Vacancy and Oxygen Permeability in Y2SiO5 Orthosilicate Studied by First-Principles Calculations 期刊论文
Journal of the American Ceramic Society, 2012, 卷号: 95, 期号: 3, 页码: 1093-1099
作者:  B. Liu;  J. M. Wang;  F. Z. Li;  J. Y. Wang;  Y. C. Zhou
收藏  |  浏览/下载:86/0  |  提交时间:2013/02/05
Self-diffusion  Silicon-nitride  Luminescence  Laser  Defects  Simulation  Deposition  Beta-ga2o3  Stability  Sapphire  
Interfacial diffusion in Cu with a gradient nanostructured surface layer 期刊论文
Acta Materialia, 2010, 卷号: 58, 期号: 7, 页码: 2376-2386
作者:  Z. B. Wang;  K. Lu;  G. Wilde;  S. V. Divinski
Adobe PDF(775Kb)  |  收藏  |  浏览/下载:115/0  |  提交时间:2012/04/13
Nanostructured Material  Surface Mechanical Attrition Treatment  Diffusion  Grain Boundaries  Twin Boundaries  Grain-boundary Diffusion  Mechanical Attrition Treatment  Severe  Plastic-deformation  Nanocrystalline Copper  Self-diffusion  Nickel  Alloys  Bulk  Temperatures  Segregation  
Crack propagation of single crystal beta-Sn during in situ TEM straining 期刊论文
Journal of Electron Microscopy, 2010, 卷号: 59, 页码: S61-S66
作者:  P. J. Shang;  Z. Q. Liu;  D. X. Li;  J. K. Shang
收藏  |  浏览/下载:80/0  |  提交时间:2012/04/13
In Situ Tem  Straining  Single Crystal Sn  Slip System  Self-diffusion  Crack Propagation  Free Solder Alloys  Lead-free Solders  Thermal Fatigue  Behavior  Creep  Tin  Pb  Joints  Ag  Deformation  
On interdiffusion in the multicomponent beta-NiAl phase 期刊论文
Journal of Alloys and Compounds, 2009, 卷号: 481, 期号: 1-2, 页码: 326-335
作者:  H. Wei;  H. Y. Zhang;  G. C. Hou;  X. F. Sun;  M. S. Dargusch;  X. Yao;  Z. Q. Hu
Adobe PDF(2118Kb)  |  收藏  |  浏览/下载:99/0  |  提交时间:2012/04/13
Diffusion  Models  Pack Diffusion Coatings  Zero-flux Planes  Electronic-structure  Diffusion Couples  Single-phase  Bonding Characteristics  Ternary-systems  Self-diffusion  Al System  B2  Type  Coefficients  
First-principles study of vacancy formation and migration in clean and Re-doped gamma '-Ni(3)Al 期刊论文
Acta Materialia, 2009, 卷号: 57, 期号: 1, 页码: 224-231
作者:  X. Zhang;  C. Y. Wang
Adobe PDF(386Kb)  |  收藏  |  浏览/下载:82/0  |  提交时间:2012/04/13
Nickel Alloys  Bulk Diffusion  Vacancies  Ab Initio Electron Theory  Augmented-wave Method  Molecular-dynamics  Order Relaxation  Self-diffusion  Ni3al  Defect  Energies  Mechanism  Kinetics  Points