Title
A Review Of Recent Phase Transition Simulation Methods: Saddle Point Search
Abstract
A review of saddle point search methods on a potential energy surface is presented in this paper. Finding saddle points on a complex potential energy surface is the major challenge in modeling and simulating the kinetics of first-order phase transitions. Once the saddle points have been identified and the activation energy for the transition is known, one can apply the kinetic Monte Carlo method to simulate the transition process. We consider some factors while reviewing the methods, such as whether the solution is global, the knowledge of the Hessian during the search, the capability to locate multiple saddle points and higher order saddle points, the kind of approximations used for potential energy surface, if any; and the convergence of the methods. Copyright © 2008 by ASME.
Publication Date
12-1-2008
Publication Title
Proceedings of the ASME Design Engineering Technical Conference
Volume
1
Issue
PARTS A AND B
Number of Pages
103-111
Document Type
Article; Proceedings Paper
Personal Identifier
scopus
DOI Link
https://doi.org/10.1115/DETC2008-49411
Copyright Status
Unknown
Socpus ID
81155138357 (Scopus)
Source API URL
https://api.elsevier.com/content/abstract/scopus_id/81155138357
STARS Citation
Alhat, Devendra; Lasrado, Vernet; and Wang, Yan, "A Review Of Recent Phase Transition Simulation Methods: Saddle Point Search" (2008). Scopus Export 2000s. 9538.
https://stars.library.ucf.edu/scopus2000/9538