Effects of temperature and point defects on the stability of C15 Laves phase in iron: A molecular dynamics investigation

Wang Hao^{1, 2}, Gao Ning^{3, †}, Lü Guang-Hong¹, Yao Zhong-Wen^{2, ‡}

(color online) Young’s and shear moduli of a perfect C15 Laves phase structure at different temperatures, calculated by A04^[20] and M07^[13,17] potentials. The enlarged drawing shows the local error bars of temperature-dependent modulus.