An atomistic simulation method combining molecular dynamics with finite element technique
β Scribed by H.A. Wu; G.R. Liu; X. Han; X.X. Wang
- Book ID
- 108088624
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 156 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0960-0779
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
A method is presented to interpolate the potential energy function for a part of a system consisting of a few degrees of freedom, such as a molecule Ε½ . in solution. The method is based on a modified finite element FE interpolation scheme. The aim is to save computer time when expensive methods such
Analysis of a variety of dynamic phenomena requires simultaneous resolution at both atomistic and continuum length scales. A combined molecular dynamics and finite element method approach, which we discuss in this paper, allows us to find the balance between the necessary level of detail and computa