Call for Papers : Volume 15, Issue 11, November 2024, Open Access; Impact Factor; Peer Reviewed Journal; Fast Publication

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Using generalized anharmonic – correlated einstein model in xafs theory for calculation the thermodynamic parameters and cumulants of dopant bcc crystals

A new procedure for calculation and analysics of X-ray absorption fine structure (XAFS) cumulants of mixed body center cubic (bcc) crystals has been derived based on quantum statistical theory with generalized anharmonic correlated Einstein model. This study has formulated the expressions that are describing asymmetric component for dopant bcc crystals such as the first cumulant or net thermal expansion, the second cumulant or mean square relative displacement (MSRD), the third cumulant, and thermodynamic parameters including the anharmonic effects contributions of body center cubic crystals have been doped with Einstein frequency, Einstein temperature, and thermal expansion coefficient constant. Numerical results for pure Iron (Fe) and pure Molybdenium (Mo), and Fe doped by Mo (FeMo) are found to be good agreement with experimental.

Author: 
Dr. Nguyen Ba Duc
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