NDLI: A Review of Recent Phase Transition Simulation Methods: Saddle Point Search

Content Provider	The American Society of Mechanical Engineers (ASME) Digital Collection
Author	Alhat, Devendra Lasrado, Vernet Wang, Yan
Copyright Year	2008
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.
Sponsorship	Design Engineering Division and Computers in Engineering Division
Starting Page	103
Ending Page	111
Page Count	9
File Format	PDF
ISBN	9780791843253
DOI	10.1115/DETC2008-49411
e-ISBN	0791838315
Volume Number	Volume 1: 34th Design Automation Conference, Parts A and B
Conference Proceedings	ASME 2008 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference
Language	English
Publisher Date	2008-08-03
Publisher Place	Brooklyn, New York, USA
Access Restriction	Subscribed
Subject Keyword	Potential energy Approximation Monte carlo methods Simulation Phase transitions Modeling
Content Type	Text
Resource Type	Article

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