TY - EJOU
AU - Chiang, Kuo-Ning
AU - Chou, Chan-Yen
AU - Wu, Chung-Jung
AU - Huang, Chao-Jen
AU - Yew, Ming-Chih
TI - Analytical Solution for Estimation of Temperature-Dependent Material Properties of Metals Using Modified Morse Potential
T2 - Computer Modeling in Engineering \& Sciences
PY - 2008
VL - 37
IS - 1
SN - 1526-1506
AB - 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.
KW - CTE
KW - Elastic constant
KW - Morse potential
DO - 10.3970/cmes.2008.037.085