Volume 104, Number 5, December 2013
|Number of page(s)||6|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||20 December 2013|
Elastic heterogeneity, vibrational states, and thermal conductivity across an amorphisation transition
1 Laboratory for Interdisciplinary Physics, UMR 5588, Université Grenoble 1 and CNRS 38402 Saint Martin d'Hères, France
2 INAC/SPrAM (UMR 5819 UJF, CNRS, CEA), CEA-Grenoble - 17 Rue des Martyrs, 38054 Grenoble, France
3 Institut Laue-Langevin - 6 rue Jules Horowitz, BP 156, 38042 Grenoble, France
Received: 23 August 2013
Accepted: 27 November 2013
Disordered solids exhibit unusual properties of their vibrational states and thermal conductivities. Recent progresses have well established the concept of “elastic heterogeneity”, i.e., disordered materials show spatially inhomogeneous elastic moduli. In this study, by using molecular-dynamics simulations, we gradually introduce “disorder” into a numerical system to control its modulus heterogeneity. The system starts from a perfect crystalline state, progressively transforms into an increasingly disordered crystalline state, and finally undergoes structural amorphisation. We monitor independently the elastic heterogeneity, the vibrational states, and the thermal conductivity across this transition, and show that the heterogeneity in elastic moduli is well correlated to vibrational and thermal anomalies of the disordered system.
PACS: 63.50.-x – Vibrational states in disordered systems / 65.60.+a – Thermal properties of amorphous solids and glasses: heat capacity, thermal expansion, etc. / 62.25.-g – Mechanical properties of nanoscale systems
© EPLA, 2013
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