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The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function

H. Mangelli et al · Vasyl Stefanyk Carpathian National University · 2020

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Author / responsible party
H. Mangelli et al
Publisher
Vasyl Stefanyk Carpathian National University
Year
2020
ISSN
1729-4428
ISSN
1729-4428
Language
English

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The bulk modulus is one of the most important characteristic features of solids. Accordingly, we have developed a statistical-mechanical treatment based on an equation which enables us to calculate the bulk modulus for solids with the minimum manifold of input data. In our model, a conjunction between Gruneisen parameter and canonical partition function has been established. We have found out that the volume dependency of Gruneisen parameter is critical in estimating bulk modulus. The result for hexagonal closed- packed (hcp) iron is very good and commensurate with the best measurements. This framework can be extended to the other elemental solids or a variety of compounds.

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APA 7

al, H. M. E. (2020). The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function. https://doi.org/10.15330/pcss.21.1.61-67

MLA

al, H. Mangelli et. "The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function." 2020. https://doi.org/10.15330/pcss.21.1.61-67.

Chicago

al, H. Mangelli et. 2020. "The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function.". https://doi.org/10.15330/pcss.21.1.61-67.

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al, H. M. E. 2020, The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function, Vasyl Stefanyk Carpathian National University, available at: https://doi.org/10.15330/pcss.21.1.61-67 [Accessed 7 Aug. 2026].

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Title
The First Principle Approach in Estimating Bulk Modulus Based on Explicit Expression of Canonical Partition Function
Author / contributors
H. Mangelli et al
Publisher
Vasyl Stefanyk Carpathian National University
Publication year
2020
ISSN
1729-4428
ISSN
1729-4428
Language
English

Subjects

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bulk modulus; canonical partition function; density; gruneisen parameter; statistical mechanics
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