中文版 | English

在结果中检索

IMECH-IR

浏览/检索结果: 共8条，第1-8条 帮助

限定条件                
已选(0)清除 条数/页：   排序方式：
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
作者:  Ceng DD(曾丹丹);  Jiang JZ(蒋建政);  Liu C(刘崇);  Fan J(樊菁)
收藏  |  浏览/下载：14/0  |  提交时间：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, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:  He, Yuyang;  Gao, Caihong;  Wei, Wei;  Liu, Yun
收藏  |  浏览/下载：43/0  |  提交时间：2024/01/08
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
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
作者:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun
Adobe PDF(3228Kb)  |  收藏  |  浏览/下载：397/266  |  提交时间：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
作者:  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)  |  收藏  |  浏览/下载：859/241  |  提交时间：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
作者:  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)  |  收藏  |  浏览/下载：1118/307  |  提交时间：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
作者:  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)  |  收藏  |  浏览/下载：848/202  |  提交时间：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
作者:  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)  |  收藏  |  浏览/下载：1453/513  |  提交时间：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
作者:  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)  |  收藏  |  浏览/下载：619/174  |  提交时间：2012/04/01
Molecular-dynamics  Simulations  Systems