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conferenceseries
.com
Volume 08
Innovative Energy & Research
ISSN: 2576-1463
Advanced Energy Materials 2019
July 11-12, 2019
July 11-12, 2019 | Zurich, Switzerland
21
st
International Conference on
Advanced Energy Materials and Research
The behavior of system temperature, volume, enthalpy, and total energy of ZnO wurtzite phase under
different temperature and pressure, a molecular dynamics prediction
Y Chergui
1, 2
, T Aouaroun
2
, R Chemam
1
, L Amirouche
2
and
O Abd Elaziz
2
1
Badji Mokhtar University, Algeria
2
University M’Hamad Bougara of Boumerdes, Algeria
T
he dl_poly_4 software and Parallel Molecular Dynamics are investigated to analyze the behavior of system
temperature, volume, enthalpy, and total energy of ZnO wurtzite phase under an extended temperature and
pressure. In this work we study the effect of the temperature and pressure in the range of 300-3000K and 0-200GPa
respectively on the system temperature, volume, enthalpy, and total energy.The interatomic interaction is modeled
by the Coulomb-Buchingham pair potential, where we confirmed its validity. Our data are in agreement with some
available results due to no more work under the previous extreme conditions of pressure and tempearture. Tis work
has great importance in pharmacy, medecine, nanotechnology industry and in geophysics, but needs confirmation
in future.
yahia_chergui@yahoo.comInnov Ener Res 2019, Volume 08