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

11-23-2009

Publication Title

2008 Proceedings of the ASME International Design Engineering Technical Conferences and Computers and Information in Engineering Conference, DETC 2008

Volume

1

Issue

PART A

Number of Pages

103-111

Document Type

Article; Proceedings Paper

Personal Identifier

scopus

Socpus ID

69949112010 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/69949112010

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