Simulating EXAFS patterns of shocked crystals

Simulating EXAFS patterns of shocked crystals

Extended X-ray absorption fine structure (EXAFS) measurements on shocked polycrystalline iron have provided further evidence for the shock induced alpha - epsilon phase transition in iron. However, recent molecular dynamics investigation of this system has suggested the presence of fcc material in t...

Полное описание

Библиографические подробности
Главные авторы: Higginbotham, A, Albers, R, Germann, T, Holian, B, Kadau, K, Lomdahl, P, Murphy, W, Nagler, B, Wark, J
Формат: Conference item
Опубликовано: 2007
Описание
Итог:Extended X-ray absorption fine structure (EXAFS) measurements on shocked polycrystalline iron have provided further evidence for the shock induced alpha - epsilon phase transition in iron. However, recent molecular dynamics investigation of this system has suggested the presence of fcc material in the shocked region. In this paper we will investigate the difficulties in simulating EXAFS signals from molecular dynamics data. We will aim to show that in the case of the shock induced a - E transition EXAFS is insensitive to the type of close packing of the product phase.

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