Molecular Dynamics Study of a Thermal Expansion Coefficient: Ti Bulk With an Elastic Minimum Image Method

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BRONZE

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Yes

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Abstract

Linear thermal expansion coefficient (TEC) of Ti bulk is investigated by means of molecular dynamics simulation. The elastic minimum image convention of periodic boundary conditions is introduced to allow the bulk to adjust its size according to the new fixed temperature. The TEC and the specific heat of Ti are compared to the available theoretical and experimental data.

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Keywords

FOS: Physical sciences, Physics - Atomic and Molecular Clusters, Computational Physics (physics.comp-ph), Atomic and Molecular Clusters (physics.atm-clus), Physics - Computational Physics

Fields of Science

0103 physical sciences, 01 natural sciences

Citation

Hundur, Y., Hipper, R., Güvenç, Z.B. (2006). Molecular dynamics study of a thermal expansion coefficient: Ti bulk with an elastic minimum image method. Chinese Physics Letters, 23(5), 1068-1071. http://dx.doi.org/10.1088/0256-307X/23/5/002

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5

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23

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5

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1068

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1071
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6

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