نتایج جستجو برای: solid state reaction

تعداد نتایج: 1378548  

Journal: :The Journal of chemical physics 2014
Penghao Xiao Daniel Sheppard Jutta Rogal Graeme Henkelman

The dimer method is a minimum mode following algorithm for finding saddle points on a potential energy surface of atomic systems. Here, the dimer method is extended to include the cell degrees of freedom for periodic solid-state systems. Using this method, reaction pathways of solid-solid phase transitions can be determined without having to specify the final state structure or reaction mechani...

Journal: :Journal of the Ceramic Association, Japan 1970

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