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THE UNIQUE PROPERTIES OF THE SOLID-LIKE CONFINED LIQUID FILMS: A LARGE SCALE MOLECULAR DYNAMICS SIMULATION APPROACH
王奉超(Wang FC); 赵亚溥(Zhao YP); Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
Source PublicationActa Mechanica Solida Sinica
2011
Volume24Issue:2Pages:101-116
ISSN0894-9166
AbstractThe properties of the confined liquid are dramatically different from those of the bulk state, which were reviewed in the present work. We performed large-scale molecular dynamics simulations and full-atom nonequilibrium molecular dynamics simulations to investigate the shear response of the confined simple liquid as well as the n-hexaclecane ultrathin films. The shear viscosity of the confined simple liquid increases with the decrease of the film thickness. Apart from the well-known ordered structure, the confined n-hexadecane exhibited a transition from 7 layers to 6 in our simulations while undergoing an increasing shear velocity. Various slip regimes of the confined n-hexadecane were obtained. Viscosity coefficients of individual layers were examined and the results revealed that the local viscosity coefficient varies with the distance from the wall. The individual n-hexadecane layers showed the shear-thinning behaviors which can be correlated with the occurrence of the slip. This study aimed at elucidating the detailed shear response of the confined liquid and may be used in the design and application of micro- and nano-devices.
KeywordConfined Liquid Solid-like Shear-thinning Slip Large Scale Molecular Dynamics Simulation Thin-films Rheological Properties Solvation Forces Surfaces Slip Hexadecane Shear Flow Solidification Transitions
Subject AreaMaterials Science ; Mechanics
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Indexed BySCI ; EI
Language英语
WOS IDWOS:000291294500001
WOS KeywordTHIN-FILMS ; RHEOLOGICAL PROPERTIES ; SOLVATION FORCES ; SURFACES ; SLIP ; HEXADECANE ; SHEAR ; FLOW ; SOLIDIFICATION ; TRANSITIONS
WOS Research AreaMaterials Science ; Mechanics
WOS SubjectMaterials Science, Multidisciplinary ; Mechanics
Funding OrganizationProject supported by the National Natural Science Foundation of China (NSFC, Nos. 60936001 and 11072244), the National Basic Research Program of China (973 Program, No. 2007CB310500) and the Shanghai Supercomputer Center.
DepartmentLNM纳/微系统力学与物理力学
ClassificationQ4
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Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/44935
Collection非线性力学国家重点实验室
Corresponding AuthorZhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Wang FC,Zhao YP,Zhao, YP . THE UNIQUE PROPERTIES OF THE SOLID-LIKE CONFINED LIQUID FILMS: A LARGE SCALE MOLECULAR DYNAMICS SIMULATION APPROACH[J]. Acta Mechanica Solida Sinica,2011,24(2):101-116.
APA 王奉超,赵亚溥,&Zhao, YP .(2011).THE UNIQUE PROPERTIES OF THE SOLID-LIKE CONFINED LIQUID FILMS: A LARGE SCALE MOLECULAR DYNAMICS SIMULATION APPROACH.Acta Mechanica Solida Sinica,24(2),101-116.
MLA 王奉超,et al."THE UNIQUE PROPERTIES OF THE SOLID-LIKE CONFINED LIQUID FILMS: A LARGE SCALE MOLECULAR DYNAMICS SIMULATION APPROACH".Acta Mechanica Solida Sinica 24.2(2011):101-116.
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