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