Open Access

ABSTRACT

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 TsingHua University, 101 Sec. 2, Kuang-Fu Rd., Hsinchu. Taiwan 300, R. O. C.
2 Research assistant. Advanced Microsystem Packaging and Nano-Mechanics Research Laboratory, Power Mechanical Engineering Dept., National TsingHua University, Taiwan

The International Conference on Computational & Experimental Engineering and Sciences 2009, 9(3), 130-142. https://doi.org/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 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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