COMPUTER 'EXPERIMENTS' ON LENNARD-JONES MOLECULES. I. THERMODYNAMICAL PROPERTIES.

Abstract

It is shown, using Rahman's work (Phys. Rev. v136 pA405 1964) as a starting point, how it is possible to integrate the equations of matrix of about a thousand particles in a relatively easy way. The first application of this tool is the thermodynamic study of a fluid composed of atoms interacting through a Lennard-Jones potential. The result of this study is the overall agreement between the results thus obtained and the thermodynamics of real Argon. It is then to be hoped that a two-body potential can fit the experimental data with a large degree of success.

Document Details

Document Type
Technical Report
Publication Date
Jul 13, 1966
Accession Number
AD0660568

Entities

People

  • Loup Verlet

Organizations

  • Yeshiva University

Tags

DTIC Thesaurus Topics

  • Agreements
  • Computers
  • Cooperation
  • Equations
  • Equations Of State
  • Experimental Data
  • Gas Laws
  • Ideal Gas Law
  • Mathematics
  • Molecules
  • Particles
  • Scientific Laws
  • Thermodynamics

Fields of Study

  • Physics

Readers

  • Materials Science and Engineering.
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.
  • Systems Analysis and Design