NVT-Molecular Dynamics Model
Molecular dynamics simulation created in Java
Molecular dynamics simulation created in Java
Software Specs
Publisher:............ Fernando Silva Fernandes, Filomena Freitas, Wolfgang Christian
License:............... GPL
File size:.............. 1.6 MB
Downloads:.........
Release date:...... 29 May 2013
Last update:........ 03 Nov 2014
Publisher review for NVT-Molecular Dynamics Model :
Review by: Fernando Silva Fernandes, Filomena Freitas, Wolfgang Christian
The NVT-Molecular Dynamics Model performs molecular dynamics simulations at constant temperature of 32, 108, 256 or 500 molecules interacting through the Lennard-Jones potential, in a wide range of densities and temperatures covering liquid, vapor and solid states. Thermodynamic properties, radial and speed distribution functions, velocity autocorrelation functions (vcf's) and their Fourier spectra, and mean square displacements (msd's) are calculated and displayed. Self-diffusion coefficients are worked out from the vcf's and msd's. Self space-time correlation functions (sstcf's) are estimated and compared with the Gaussian approximation. The 3D molecular motions can also be visualized. The motion equations are integrated by two methods, at user's choice: the damped-force with leap-frog Verlet's algorithm, and the
Requirements:
Java
Operating system:
Windows 8, Windows 7, Windows Vista, Windows XP, Windows 2000, Windows 98
NVT-Molecular Dynamics Model download tags:
molecular dynamics simulator thermodynamics simulation molecule simulation thermodynamics
Copyright information:
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