Keywords
Affiliated Institutions
Related Publications
Ensemble Dependence of Fluctuations with Application to Machine Computations
The standard theory of fluctuations in thermodynamic variables in various ensembles is generalized to nonthermodynamic variables: e.g., the mean-square fluctuations of the kinet...
Molecular dynamics simulations at constant pressure and/or temperature
In the molecular dynamics simulation method for fluids, the equations of motion for a collection of particles in a fixed volume are solved numerically. The energy, volume, and n...
Constant temperature molecular dynamics calculation on Lennard-Jones fluid and its application to watera)
Constant temperature molecular dynamics calculation has been carried out on Lennard-Jones liquid simulating argon. This method, proposed recently by Andersen, intends to transfo...
Studies in Molecular Dynamics. IV. The Pressure, Collision Rate, and Their Number Dependence for Hard Disks
The pressure for four, 12, and 72 hard disks determined dynamically from the virial theorem or the collision rate is shown to be identical to that determined by the Monte Carlo ...
On the calculation of specific heats, thermal pressure coefficients and compressibilities in molecular dynamics simulations
Abstract Expressions are derived for the specific heat, Cv , the thermal pressure coefficient, γ v , and the adiabatic compressibility, β S , in terms of the fluctuations of the...
Publication Info
- Year
- 1988
- Type
- article
- Volume
- 52
- Issue
- 1-2
- Pages
- 479-487
- Citations
- 9171
- Access
- Closed
External Links
Social Impact
Social media, news, blog, policy document mentions
Citation Metrics
Cite This
Identifiers
- DOI
- 10.1007/bf01016429