@Article{icces.2009.009.130,
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 = {The International Conference on Computational \& Experimental Engineering and Sciences},
VOLUME = {9},
YEAR = {2009},
NUMBER = {3},
PAGES = {130--142},
URL = {http://www.techscience.com/icces/v9n3/30146},
ISSN = {1933-2815},
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/icces.2009.009.130}
}