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Optics Virtual 2020

Yahia Chergui

Yahia Chergui, Speaker at Yahia Chergui: Speaker for Optics Conference
Badji Mokhtar University, Algeria
Title : Effect of isobaric and isothermal ensemble on ZnO bonds a computational prediction


Parallel molecular dynamics becomes today a powerful tool for computational calculations for material sciences, due to its speed and nanoscale of space and time. In this prediction we will use the RAVEN supercomputer of Cardiff University (UK) and the software of dl_poly_4 to find the behavior of bond length of ZnO wurtzite type of 2916 atoms (1458 atoms of Zn+2 and 1458 atoms of O-2). Our system will be effected by thermal and isobaric system in the range of 0-200GPa and 300- 3000K of pressure and temperatures respectively. In this work we search to study the effect of pressure and temperature on the bond length of chemical liaison between each two atoms Zn-Zn, Zn-O, and O-O. Although no more data under previous conditions of pressure and temperature, our results are in agreement with available data. These information have a great important in technology and nanotechnology because permit us to know the behavior of ZnO bond length in nanoscale which effect on the macroscopic properties of this material.


Yahia CHERGUI is an assistant Professor in Electrical & Electronics Engineering Institute, Boumerdes Algeria. He has completed his PhD from Badji Mokhtar University in Annaba, Algeria. He did all his PhD work in Cardiff University in UK. His research field is Physics(condensed matter, and soft matter simulation by molecular dynamics). He has many published articles and international conferences. He has been serving as a referee with condensed matter journal (IOP), Energy journal (Elsevier), and  American Journal of Modern Physics.