Predicting EXAFS signals from shock compressed iron by use of molecular dynamics simulations

Simulated EXAFS signals from ab initio models and configurational averaging of molecular dynamics (MD) data are compared for α-Fe, and configurationally averaged MD EXAFS signals are compared with experimental data for iron shock compressed to pressures above the α-ε{lunate} transition pressure. It...

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التفاصيل البيبلوغرافية
المؤلفون الرئيسيون: Higginbotham, A, Albers, R, Germann, T, Holian, B, Kadau, K, Lomdahl, P, Murphy, W, Nagler, B, Wark, J
التنسيق: Journal article
اللغة:English
منشور في: 2009