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Exponential relaxation of the energy and desorption dynamics of atoms colliding with a surface 期刊论文
PHYSICA SCRIPTA, 2024, 卷号: 99, 期号: 3, 页码: 10
Authors:  Ceng DD(曾丹丹);  Jiang JZ(蒋建政);  Liu C(刘崇);  Fan J(樊菁)
Favorite  |  View/Download：42/0  |  Submit date：2024/03/11
atom-surface interaction  energy relaxation  residence time  molecular dynamics  
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
Authors:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun
Adobe PDF(3228Kb)  |  Favorite  |  View/Download：443/284  |  Submit date：2023/02/03
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
Comparison of Cu thin films deposited on Si substrates with different surfaces and temperatures 期刊论文
APPLIED SURFACE SCIENCE, 2013, 卷号: 276, 页码: 417-423
Authors:  Zhang J(张俊);  Liu C(刘崇);  Fan J(樊菁);  Zhang, J (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China.
Adobe PDF(3091Kb)  |  Favorite  |  View/Download：880/250  |  Submit date：2013/06/27
Copper Thin Film  Deposition And Growth  Molecular Dynamics  Crystalline Structure And Orientation  
Molecular dynamics analysis of lattice site dependent oxygen ion diffusion in YBa2Cu3O7-delta: Exposing the origin of anisotropic oxygen diffusivity 期刊论文
SOLID STATE IONICS, 2013, 卷号: 232, 页码: 123-128
Authors:  Wang LH(王连红);  Shu YH(舒勇华);  Liu C(刘崇);  Zhang J(张俊);  Fan J(樊菁);  Fan, J (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China.
Adobe PDF(1110Kb)  |  Favorite  |  View/Download：1164/320  |  Submit date：2013/03/25
Molecular Dynamics  Oxygen  Temperature  Diffusion  Anisotropic  
Molecular dynamics simulation of deposition and growth of cu thin film on si substrate 会议论文
28th International Symposium on Rarefied Gas Dynamics (RGD), Zaragoza, SPAIN, JUL 09-13, 2012
Authors:  Zhang J(张俊);  Liu C(刘崇);  Shu YH(舒勇华);  Fan J(樊菁);  Zhang, J (reprint author), Chinese Acad Sci, State Key Lab High Temp Gas Dynam, Inst Mech, Beijing 100190, Peoples R China.
Adobe PDF(668Kb)  |  Favorite  |  View/Download：865/207  |  Submit date：2013/02/26
Thin Film Growth  Crystalline Structure And Orientation  Surface Roughness  Molecular Dynamics  Embedded-atom Method  Surfaces  Systems  Metals  
Growth and properties of Cu thin film deposited on Si(001) substrate: A molecular dynamics simulation study 期刊论文
Applied Surface Science, 2012, 卷号: 261, 期号: 15, 页码: 690-696
Authors:  Zhang J(张俊);  Liu C(刘崇);  Shu YH(舒勇华);  Fan J(樊菁);  Fan, J (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China.
Adobe PDF(1534Kb)  |  Favorite  |  View/Download：1489/537  |  Submit date：2012/12/04
Embedded-atom Method  Epitaxial-growth  Si  Molecular Dynamics Method  Systems  Surface  Si(111)  Metals  Al  Thin Film Deposition And Growth  Crystalline Structure And Orientation  Surface Roughness  
Efficient and accurate linear algebraic methods for large-scale electronic structure calculations with nonorthogonal atomic orbitals 期刊论文
Physical Review B, 2011, 卷号: 83, 期号: 16, 页码: 165103
Authors:  Teng H;  Fujiwara T;  Hoshi T;  Sogabe T;  Zhang SL;  Yamamoto S;  Teng, H (reprint author), Chinese Acad Sci, Inst Mech, Beijing 100080, Peoples R China
Adobe PDF(979Kb)  |  Favorite  |  View/Download：639/181  |  Submit date：2012/04/01
Molecular-dynamics  Simulations  Systems