6533b873fe1ef96bd12d5f4f

RESEARCH PRODUCT

Molecular Dynamics Computer Simulation of Cooling Rate Effects in a Lennard-Jones Glass

Kurt BinderKatharina VollmayrWalter Kob

subject

Molecular dynamicsMaterials scienceCooling rateCoordination numberThermodynamicsBinary numberCoupling (piping)Function (mathematics)ResidualRadial distribution function

description

We present the results of a molecular dynamics computer simulation of a binary Lennard-Jones mixture. We simulate a quench of the system from a liquid state at high temperatures to a glass state at zero temperature by coupling the system to a heat bath that has a temperature that decreases linearly (with slope -γ) with time. We investigate how the residual density of the system varies as a function of the cooling rate γ and rationalize our results by means of the dependence of the coordination number of the particles on the cooling rate.

yearjournalcountryeditionlanguage
1995-01-01
https://doi.org/10.1007/978-3-642-79991-4_12