Molecular Dynamics Simulations of Nanoparticle Interactions with a Planar Wall:Does Shape Matter?

作     者：Andreas Fuchs David Kauzlaric Andreas Greiner Sauro Succi Jan.G.Korvink 

作者机构：Laboratory for SimulationDepartment of Microsystems Engineering(IMTEK)University of FreiburgGeorges-Kohler-Allee 10379110 FreiburgGermany School of Soft Matter ResearchFreiburg Institute for Advanced StudiesUniversity of FreiburgAlbertstr.1979104 FreiburgGermany Istituto Applicazioni CalcoloCNRvia dei Taurini 900185RomaItaly 

出 版 物：《Communications in Computational Physics》 (计算物理通讯（英文）)

年 卷 期：2013年第13卷第3期

页      面：900-915页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0702[理学-物理学] 

基　　金：funding by the DFG via SFB499 by the University of Freiburg through the German Excellence Initiative 

主　　题：Molecular dynamics simulation nanoparticle hydrodynamic interaction 

摘      要：We investigate the hydrodynamic interactions of spherical colloidal nano particles and nano tetrahedra near a planar wall by means of molecular dynamics(MD)simulations of rigid particles within an all-atom *** both spherical and nano-tetrahedral particles,we find that the parallel and perpendicular components of the local diffusion coefficient and viscosity,show good agreement with hydrodynamic theory of Fax´en and *** provides further evidence that low perturbations from sphericality of a nanoparticle’s shape has little influence on its local diffusive behaviour,and that for this particular case,the continuum theory fluid dynamics is valid even down to molecular scales.