The 9th International Conference on Multiscale Materials Modeling

講演情報

Symposium

M. Time- and History-Dependent Material Properties

[SY-M3] Symposium M-3

2018年10月30日(火) 09:45 〜 11:00 Room4

Chair: Thomas Franosch(University of Innsbruck, Austria)

[SY-M3] Heterogeneous thermal properties in a glass from molecular dynamics calculations

Invited

Jean-Louis BARRAT (Univ. Grenoble Alpes, France)

It is well known that elastic properties of amorphous systems are heterogeneous, leading to peculiarities in vibrational spectra and thermal properties. In this work, we investigate the heterogeneity in thermoelastic properties, and more precisely in the thermal expansion coefficient, in a model metallic glass. We find heterogeneities that are similar - in terms of length scales - to those in elastic constants. It has been suggested that such heterogeneities could be the reason for "cryogenic rejuvenation" processes observed under thermal cycling in several experiments. We investigate this hypothesis by comparing the values of the local yield stresses with the stresses generated by heterogeneities in thermal dilation.

This work was performed in collaboration with Dr Baoshuang Zhang (University Grenoble Alpes and Beijing Computational Science Research Center).