Dr. Viorel Chihaia: Computer Modeling of Materials and Radiation, CETAL, Wednesday, 9 May 2018, 11:00 am
Wednesday, 9 May 2018, 11:00 am
CETAL, Seminar Room
Title: “Computer Modeling of Materials and Radiation”
Lecturer: Dr. Viorel Chihaia – Institute of Physical Chemistry “Ilie Murgulescu”, Romanian Academy.
Abstract: The experimental and theoretical investigations have clarified many aspects of the materials irradiation, but the development of numerical methods and the increase of the computing power allow a better understanding of the interaction mechanisms by combined experimental - theoretical - simulation approaches.
In this discussion I present the main principles of the particle-based (by static and dynamics calculations based on quantum, classical and coarse-graining interactions) and field-based (by discretization of the partial differential equations) methods capable to characterize the behavior and properties of materials, the computing and analysis techniques, and how they can be adapted to investigate the radiation effects on materials. Most attention is given to how this simulation and analysis methods are applied rather than how they are developed. The effects of the irradiation on the structural, dynamic and thermodynamic properties of the materials are considered.