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Atomistic Insights on Surface Quality Control via Annealing Process in AlGaN Thin Film Growth 期刊论文
NANOMATERIALS, 2023, 卷号: 13, 期号: 8, 页码: 1382./通讯作者：Chen, XJ, Cao, Q
作者:  Peng Q(彭庆);  Ma ZW(马知未);  Cai, Shixian;  Zhao S(赵帅);  Chen, Xiaojia;  Cao, Qiang
Adobe PDF(2490Kb)  |  收藏  |  浏览/下载：94/22  |  提交时间：2023/06/15
AlGaN thin film  molecular dynamics simulations  laser annealing  atomistic structure  
Predicting the components and types of kerogen in shale by combining machine learning with NMR spectra 期刊论文
FUEL, 2021, 卷号: 290, 页码: 10./通讯作者：Zhao, Ya-Pu
作者:  Kang DL(康东亮);  Wang XH(王晓荷);  Zheng XJ(郑晓骄);  Zhao YP(赵亚溥)
Adobe PDF(5174Kb)  |  收藏  |  浏览/下载：505/192  |  提交时间：2021/03/30
Machine learning  Kerogen and shale  Molecular structure  High-throughput prediction  NMR spectra datasets  
A molecular dynamics simulation on the oxidation of core-shell aluminum nanoparticles in oxygen and water environments 会议论文
12th Asia-Pacific Conference on Combustion, ASPACC 2019, Fukuoka, Japan, July 1, 2019 - July 5, 2019
作者:  Chu QZ;  Liao LJ(廖丽涓);  Shi BL;  Luo KH;  Wang NF
浏览  |  Adobe PDF(850Kb)  |  收藏  |  浏览/下载：265/66  |  提交时间：2019/11/20
Aluminum nanoparticles  Concentration distributions  Heat and mass transfer process  Heat transfer efficiency  Molecular dynamics simulations  Oxidation mechanisms  Particle temperature  Structure evolution  
Study on failure mechanism of Cu-polyethylene-Cu sandwich structure by molecular dynamics simulation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 154, 页码: 315-324
作者:  Meng CY(孟昶宇);  Liao LJ(廖丽涓);  Huang CG(黄晨光)
浏览  |  Adobe PDF(3952Kb)  |  收藏  |  浏览/下载：473/175  |  提交时间：2018/10/30
Failure Mechanism  Sandwich Structure  Molecular Dynamics  Thickness-dependence  Micro-void Nucleation  Dihedral Distribution  
Structural Basis for Differences in Dynamics Induced by Leu Versus Ile Residues in the CD Loop of Kir Channels 期刊论文
MOLECULAR NEUROBIOLOGY, 2016, 卷号: 53, 期号: 9, 页码: 5948-5961
作者:  Lv SQ(吕守芹);  An HL;  Zhang HL;  Long M(龙勉);  Long, M (reprint author), Chinese Acad Sci, Inst Mech, Ctr Biomech & Bioengn, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(6158Kb)  |  收藏  |  浏览/下载：297/98  |  提交时间：2016/12/08
Inward-rectifier Potassiumchannel  Molecular Dynamicssimulations  Conformationalchange  Patchclamp  Structure-function Relationship  
Smaller critical size and enhanced strength by nano-laminated structure in nickel 期刊论文
Computational Materials Science, 2015, 卷号: 110, 页码: 83-90
作者:  Wang W;  Yuan FP(袁福平);  Wu XL(武晓雷);  Yuan, FP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(5161Kb)  |  收藏  |  浏览/下载：410/150  |  提交时间：2016/01/07
Molecular Dynamics  Dislocations  Grain Boundaries  Laminated Structure  Equiaxed Grain Structure  
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：989/276  |  提交时间：2013/06/27
Copper Thin Film  Deposition And Growth  Molecular Dynamics  Crystalline Structure And Orientation  
Mechanics of rolling of nanoribbon on tube and sphere 期刊论文
NANOSCALE, 2013, 卷号: 5, 期号: 12, 页码: 5450-5455
作者:  Yin QF(殷其放);  Shi XH(施兴华);  Shi XH
Adobe PDF(600Kb)  |  收藏  |  浏览/下载：1509/475  |  提交时间：2013/06/27
Graphene  Molecular Structure  Nanostructures  Phase Diagrams  Van Der Waals Forces  Carbon Nanotubes (Cnt)  Graphene Nanoribbon (Gnr)  Molecular Simulations  Van Der Waals Interaction  
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：945/233  |  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：1603/598  |  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