Abstract
The molecular-dynamic method was used to simulate a nitrogen fluid of 256 rigid diatomic molecules interacting through a double Lennard-Jones potential. Several equilibrium structures and time-dependent properties are calculated by integration and orthogonal transformation for various values of temperature and density for the liquid phase. The orthogonal transformation is successfully introduced to give no difficulty of divergence. The orientational distribution of molecular axes and the center of mass velocity auto-correlation function are also obtained and discussed. The present analysis reveals that the velocity auto-correlation has an exponential behavior similar to that of Brownian motion described by Langevin's equation at high temperatures. Angular auto-correlation functions are obtained where the correlation is damped with time. The angular distribution and thus the orientation of molecular axis are obtained. The structure and properties of a diatomic liquid such as liquid nitrogen are not shown t...
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