Behavior of System Temperature of ZnO under the Effect of Pressure a Molecular Dynamics Prediction

Author(s): Yahia Chergui

 Zinc oxide is a promising semiconductor, due to the chemical bonds; they are between covalent and ionic liaisons. This bonding plays a dramatic role in thermodynamic properties, under extended pressure and temperature. In this work, we analyze the behavior of the effect of pressure on the system temperature of ZnO wurtzite structure; we have been investigated equilibrium parallel molecular dynamics technique and dlpoly_4 software, using RAVEN supercomputer of Cardiff University(UK), to simulate the evolution in time of system temperature and its equilibrium time in isothermal and isobaric ensemble. Our system contains 2916 atoms of ZnO wurtzite type, under the ranges of pressure 0-200(GPa) and temperature 300-3000(K), where the interatomic interactions are modeled by Buckingham and Coulomb potential for short and longrange interactions respectively. Due to the lack of information about the effect of pressure on system temperature, under previous conditions, our results are still a prediction, which needs experimental confirmation in future. The thermodynamic behavior of ZnO has huge importance in nanoscale and macroscale, especially in medicine, pharmacy and geophysics fields. It not only preserves its internal energy but multiplies it, at the expense of sucking in the energy of the environment. Thus the acceleration process turns to generation process . Because of the technical generation of this accelerating field is very complicated for now, it is necessary to imitate it using our well-known Electromagnetic field. The secret is in very unique shape of the input ( to the antenna ) electrical signal. It is imitated the accelerating signal using the well-known Electromagnetic field, that sucks the free cross vortices from the environment. 

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