Molecular dynamics study of a thermal expansion coefficient: Ti bulk with an elastic minimum image method

Yakup Hundur; Rainer Hippler; Ziya B. Güvenç

doi:10.1088/0256-307X/23/5/002

Molecular dynamics study of a thermal expansion coefficient: Ti bulk with an elastic minimum image method

Yakup Hundur^*, Rainer Hippler, Ziya B. Güvenç

^*Corresponding author for this work

Department of Physics Engineering

Research output: Contribution to journal › Article › peer-review

5 Citations (Scopus)

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.

Original language	English
Pages (from-to)	1068-1071
Number of pages	4
Journal	Chinese Physics Letters
Volume	23
Issue number	5
DOIs	https://doi.org/10.1088/0256-307X/23/5/002
Publication status	Published - 1 May 2006

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title = "Molecular dynamics study of a thermal expansion coefficient: Ti bulk with an elastic minimum image method",

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.",

author = "Yakup Hundur and Rainer Hippler and G{\"u}ven{\c c}, {Ziya B.}",

year = "2006",

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T2 - Ti bulk with an elastic minimum image method

AU - Hundur, Yakup

AU - Hippler, Rainer

AU - Güvenç, Ziya B.

PY - 2006/5/1

Y1 - 2006/5/1

N2 - 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.

AB - 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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DO - 10.1088/0256-307X/23/5/002

M3 - Article

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SN - 0256-307X

VL - 23

SP - 1068

EP - 1071

JO - Chinese Physics Letters

JF - Chinese Physics Letters

IS - 5

ER -

Molecular dynamics study of a thermal expansion coefficient: Ti bulk with an elastic minimum image method

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