Density of states and the velocity autocorrelation function derived from quench studies
- 15 March 1981
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 74 (6) , 3532-3534
- https://doi.org/10.1063/1.441508
Abstract
We show how, for a harmonic solid, the density of normal mode states and the velocity autocorrelation function can be found by analyzing the temperature of the solid after its kinetic energy has been abruptly quenched. In a molecular dynamics simulation of an interacting Lennard-Jones system we show what happens to these results as the solid is made anharmonic and how, in the liquid state, these techniques can be used to study the role of anharmonicity in the velocity autocorrelation function.Keywords
This publication has 2 references indexed in Scilit:
- Quench echoes in molecular dynamics--A new phonon spectroscopySolid State Communications, 1980
- Molecular dynamics study of an amorphous Lennard-Jones system at low temperatureThe Journal of Chemical Physics, 1976