Multiple phase transition path and saddle point search in computer aided nano design

Multiple phase transition path and saddle point search in computer aided nano design

Functional materials with controllable phase transitions have been widely used in devices for information storage (e.g. hard-disk, CD-ROM, memory) and energy storage (e.g. battery, shape memory alloy). One of the important issues to design such materials is to realize the desirable phase transition...

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Bibliographic Details
Main Author: He, Lijuan
Other Authors: Wang, Yan
Format: Others
Language:en_US
Published: Georgia Institute of Technology 2015
Subjects:
Saddle point
Reaction path
Density functional theory
Uncertainty
Online Access:http://hdl.handle.net/1853/53967

Internet

http://hdl.handle.net/1853/53967

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