Hierarchical modeling of diffusive transport through nanochannels by coupling molecular dynamics with finite element method

Journal of Computational Physics

Volumn 230, Issue 14, 2011, Pages 5722-5731

  Ziemys, A ^a   Kojic, M ^a,b   Milosevic, M ^b   Kojic, N ^c   Hussain, F ^a,d   Ferrari, M ^a   Grattoni, A ^a  

^a HOUSTON METHODIST RESEARCH INSTITUTE   (United States)

^b R and D Center for Bioengineering   (Serbia)

^c Tufts University   (United States)

^d UNIVERSITY OF HOUSTON   (United States)

Author keywords

Diffusion; Finite element method; Molecular dynamics; Prediction; Transport

Indexed keywords

COMPUTATION THEORY; CONTINUUM MECHANICS; FINITE ELEMENT METHOD; MOLECULAR DYNAMICS; NANOFLUIDICS;

CLASSICAL CONTINUUM THEORY; DIFFUSIVE TRANSPORT; HIERARCHICAL MODEL; INTERFACE EFFECT; MASS RELEASE; MODELING APPROACH; MODELING TRANSPORT; NANO CHANNELS; SCALING SCHEMES; TRANSPORT;

DIFFUSION;

EID: 79955734175     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2011.03.054     Document Type: Article

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