Molecular dynamics study of the elastic moduli of FCC nanofilm

분자동역학을 이용한 FCC 나노박막의 탄성계수 연구

In this paper, elastic properties such as Young's modulus and Poisson's ratio of various transition metal nanofilms are calculated for the {100} and {110} surfaces by using molecular dynamics simulation. A new method using $3^{rd}$ order elastic constants and least square method is presented for the calculation of elastic constants. We also introduce analytical method of calculating elastic constants for EAM potential and it's results as the reference value to be compared with the simulation results.