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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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Detalhes bibliográficos
Main Authors: Caspersen, Kyle J., Carter, Emily A.
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2005
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1100746/
https://ncbi.nlm.nih.gov/pubmed/15863621
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0408127102
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