Temperature Dependent Elastic Constants (TDECs) and Thermodynamic Properties of B19 TiZr; Shape Memory Alloy (SMAs)

Job W. Wafula, George S. Manyali and John W. Makokha
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Job W. Wafula: Department of Science, Technology and Engineering, Kibabii University, 1699-50200, Bungoma, Kenya,
George S. Manyali: Computational and Theoretical Physics (CTheP), Department of Physical Sciences, Kaimosi Friends University College, 385-50309, Kaimosi, Kenya
John W. Makokha: Department of Science, Technology and Engineering, Kibabii University, 1699-50200, Bungoma, Kenya

International Journal of Research and Innovation in Applied Science, 2020, vol. 5, issue 8, 117-122

Abstract: We report temperature dependent elastic constants (TDECs) and thermodynamic properties of B19 TiZr Shape Memory Alloy (SMAs) computed by Quasi-static approximations (QSA) as implemented in thermo_pw code. B19 TiZr is mechanically and dynamically stable at zero pressure with lattice parameter of 3.110 Ã… and 1.578 for a and the ratio a/c respectively. The first-principles calculations were performed within quantum ESPRESSO code.

Date: 2020
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Persistent link: https://EconPapers.repec.org/RePEc:bjf:journl:v:5:y:2020:i:8:p:117-122

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