Molecular Dynamics Study of a Thermal Expansion Coefficient: Ti Bulk with an Elastic Minimum Image Method
Yakup Hundur1, Rainer Hippler2, Ziya B. Güvenc3
1Department of Physics, Istanbul Technical University, Ayazaga, Istanbul, TR-34469 Turkey
2Institut für Physik, Ernst-Moritz-Arndt-Universität Greifswald, DomstraBe 10a, D-17487 Greifswald, Germany
3Electronic and Communication Engineering, Cankaya University, Balgat, Ankara, TR-06530 Turkey
Molecular Dynamics Study of a Thermal Expansion Coefficient: Ti Bulk with an Elastic Minimum Image Method
Yakup Hundur1;Rainer Hippler2;Ziya B. Güvenc3
1Department of Physics, Istanbul Technical University, Ayazaga, Istanbul, TR-34469 Turkey
2Institut für Physik, Ernst-Moritz-Arndt-Universität Greifswald, DomstraBe 10a, D-17487 Greifswald, Germany
3Electronic and Communication Engineering, Cankaya University, Balgat, Ankara, TR-06530 Turkey
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.
Yakup Hundur;Rainer Hippler;Ziya B. Güvenc. Molecular Dynamics Study of a Thermal Expansion Coefficient: Ti Bulk with an Elastic Minimum Image Method[J]. 中国物理快报, 2006, 23(5): 1068-1071.
Yakup Hundur, Rainer Hippler, Ziya B. Güvenc. Molecular Dynamics Study of a Thermal Expansion Coefficient: Ti Bulk with an Elastic Minimum Image Method. Chin. Phys. Lett., 2006, 23(5): 1068-1071.
2006, Vol. 23 
