@Article{cmes.2008.037.085,
AUTHOR = {Kuo-Ning  Chiang, Chan-Yen  Chou, Chung-Jung  Wu,Chao-Jen Huang, Ming-Chih  Yew},
TITLE = {Analytical Solution for Estimation of Temperature-Dependent Material Properties of Metals Using Modified Morse Potential},
JOURNAL = {Computer Modeling in Engineering \& Sciences},
VOLUME = {37},
YEAR = {2008},
NUMBER = {1},
PAGES = {85--96},
URL = {http://www.techscience.com/CMES/v37n1/26745},
ISSN = {1526-1506},
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.},
DOI = {10.3970/cmes.2008.037.085}
}