CFD Online Logo CFD Online URL
Home > Forums > Main CFD Forum

Finite Element vs Molecular Dynamics

Register Blogs Members List Search Today's Posts Mark Forums Read

LinkBack Thread Tools Display Modes
Old   August 22, 2002, 22:01
Default Finite Element vs Molecular Dynamics
Posts: n/a
How accurate is if we simulate ' a single array of molecules on a bulk surface' with finite element analysis implemented codes?

Where do finite element analysis and molecular dynamic simulation meet?

Is there any hybrid codes available?


  Reply With Quote

Old   August 29, 2002, 11:36
Default Re: Finite Element vs Molecular Dynamics
Posts: n/a
Finite elemnt is a macro method solving continuum problems. MD is a purely microscopic simulation of LJ atoms or molecules. You question deals with the coarse-graining problem in physics, which means how can we reduce the freedom degree of the physical problems retaining all the relavant physical informations. Many mesoscopic techniques have been developed in the past ten years for example DPD (Dissipative Particle Dynamics). This is a "molecular dynamics-like" simulation, where every particle represents, let's say, a cluster of 100 LJ molecules, and the interaction between them are modelled with a conservative+disspative+stochastic force. In the case of fluids, for example, the correct Navier-Stokes solution are obtained by Chapman-Enskog expansion. On bigger scale DPD meet SPH (Smoothed Particle Hydrodynamics) which is still a "MD-like" numerical scheme but it deal with bigger scale (it is on the same level of FEM but but it has the structure of a Lagrangian particle method). I'm trying to study this problem for metals. "How can I set up few parameters of a SPH viscoelatic code, working on microscale, in order to set up resulat from MD onb nanoscale". The comparison is still under work, I'm studyng simple shear-flows, with or without fixed obstacles and comparing the viscometric functions with thoose coming from MD. If you are interesting in some references or literature tell me.
  Reply With Quote


Thread Tools
Display Modes

Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts

BB code is On
Smilies are On
[IMG] code is On
HTML code is Off
Trackbacks are On
Pingbacks are On
Refbacks are On

Similar Threads
Thread Thread Starter Forum Replies Last Post
finite volume VS finite element solomon FLUENT 4 April 3, 2015 00:10
How can be calculate a surface integral in the finite element method? HectorRedal Main CFD Forum 3 March 13, 2015 09:25
Control Volume , Finite Volume, Finite Control Volume, Finite Element Method technocrat.prakash Main CFD Forum 1 April 24, 2010 19:24
Rheolef: a C++ finite element library for solving PDE (annonce) saramito Main CFD Forum 0 October 14, 2009 04:58
finite volume VS finite element solomon Main CFD Forum 0 March 19, 2002 20:04

All times are GMT -4. The time now is 22:16.