Kuo-Ning Chiang¹, Chan-Yen Chou², Chung-Jung Wu², Chao-Jen Huang², Ming-Chih Yew²

The International Conference on Computational & Experimental Engineering and Sciences, Vol.9, No.3, pp. 130-142, 2009, DOI:10.3970/icces.2009.009.130

Abstract An atomic-level analytical solution, together with a modified Morse potential, has been developed to estimate temperature-dependent thermal expansion coefficients (CTE) and elastic characteristics of bulk metals. In this study, inter-atomic forces are considered as a set of anharmonic oscillator networks which can be described by Morse potential, while the material properties can be defined by these inter-atomic forces; when temperature increases, the vibration of the anharmonic oscillator causes the phenomenon of temperature-dependent material properties. The results of analysis showed that the original Morse potential can give a reasonable prediction of the thermal expansion coefficients and elastic constants of metals at… More >

Kuo-Ning Chiang¹, Chan-Yen Chou², Chung-Jung Wu²,Chao-Jen Huang², Ming-Chih Yew²

CMES-Computer Modeling in Engineering & Sciences, Vol.37, No.1, pp. 85-96, 2008, DOI:10.3970/cmes.2008.037.085

Abstract An atomic-level analytical solution, together with a modified Morse potential, has been developed to estimate temperature-dependent thermal expansion coefficients (CTE) and elastic characteristics of bulk metals. In this study, inter-atomic forces are considered as a set of anharmonic oscillator networks which can be described by Morse potential, while the material properties can be defined by these inter-atomic forces; when temperature increases, the vibration of the anharmonic oscillator causes the phenomenon of temperature-dependent material properties. The results of analysis showed that the original Morse potential can give a reasonable prediction of the thermal expansion coefficients and elastic constants of metals at… More >