Open Access

ARTICLE

Analytical Solution for Estimation of Temperature-Dependent Material Properties of Metals Using Modified Morse Potential

by Kuo-Ning Chiang¹, Chan-Yen Chou², Chung-Jung Wu², Ming-Chih Yew²

1 Corresponding author. Advanced Microsystem Packaging and Nano-Mechanics Research Laboratory, Power Mechanical Engineering Dept., National Tsing-Hua University, 101 Sec. 2, Kuang-FuRd., Hsinchu. Taiwan 300, R. O. C.
2 Research assistant. Advanced Microsystem Packaging and Nano-Mechanics Research Laboratory, Power Mechanical Engineering Dept., National Tsing-Hua University, Taiwan.

Computer Modeling in Engineering & Sciences 2008, 37(1), 85-96. https://doi.org/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 room temperature; however, it has difficulties in giving an accurate result at low and high temperatures. Therefore, to overcome the deficiency, a temperature-dependent modified Morse potential is developed and validated with various metals.

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Keywords

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