A Study of the Thermal Properties of a One Dimensional Lennard-Jones System
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چکیده
In this study, the behavior of a one dimensional (1D) Lennard-Jones (LJ) system is simulated. As part of this research, a special purpose computer program was designed, coded, and tested. In both the model and the program calculations, energy and momentum are conserved. The modeling assumes constant pressure throughout each simulation, although several different pressures are modeled. The simulation yields the specific heat and the compressibility of the system, and eventually will be able to calculate heat conductivity. The model also reveals a gradual phase change when the temperature becomes high enough to break bonds in the system, allowing the particles to escape the two-particle potential energy well. An increase in the specific heat is seen as the bonds between the system particles are broken. At sufficiently high temperatures the compressibility appears to approach a value proportional to the inverse pressure of the simulation.
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