Finding transition states for crystalline solid-solid phase transformations

We present a method to identify transition states and minimum energy paths for martensitic solid-solid phase transformations, thereby allowing quantification of the activation energies of such transformations. Our approach is a generalization of a previous method for identifying transition states fo...

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Bibliographic Details

Published in:	Proceedings of the National Academy of Sciences - PNAS Vol. 102; no. 19; p. 6738
Main Authors:	Caspersen, Kyle J, Carter, Emily A
Format:	Journal Article
Language:	English
Published:	United States 10.05.2005
Subjects:	Algorithms Biophysics - methods Kinetics Lithium - chemistry Models, Statistical Phase Transition Pressure Software Temperature Thermodynamics
ISSN:	0027-8424
Online Access:	Get more information
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