| Literature DB >> 21386577 |
O Gereben1, L Pusztai, R L McGreevy.
Abstract
A new reverse Monte Carlo (RMC) method has been developed for creating three-dimensional structures in agreement with small angle scattering data. Extensive tests, using computer generated quasi-experimental data for aggregation processes via constrained RMC and Langevin molecular dynamics, were performed. The software is capable of fitting several consecutive time frames of scattering data, and movie-like visualization of the structure (and its evolution) either during or after the simulation is also possible.Mesh:
Year: 2010 PMID: 21386577 DOI: 10.1088/0953-8984/22/40/404216
Source DB: PubMed Journal: J Phys Condens Matter ISSN: 0953-8984 Impact factor: 2.333