- Countries/Regions
- FranceUnited Kingdom
- Category
- Research
- Academic Field
- Science
- Related goals of SDGs
| Keyword |
molecular dynamics method, polarizable ion model, ionic materials |
Information on Niigata University
| Name of the professor/researcher |
Norikazu Ohtori |
| Position/Faculty |
Professor, Faculty of Science |
Information on the Counterpart
| Countries/Regions |
(1)France (2)United Kingdom |
| Faculty/Institution |
(1)Department of Electrochemistry, Sorbonne University (2)Department of Materials, Oxford University |
Detailed Information/Report on Activities
In order to accurately predict the structure and properties (strength, elasticity, transport coefficient, etc.) of ionic materials such as oxide glasses and molten salts and understand their behaviors from their origin, we conduct researches using computer simulation methods. The model used is based on quantum mechanics, and by constructing analytic functions that give ions their polarizability, both the accuracy of the results and the improvement of the calculation speed are achieved. In a series of studies, we have made many achievements in the evaluation of the relationship between the composition of glasses and their structure, strength or elasticity and in the formulation of the thermal conductivity, electrical conductivity, and viscosity of molten salts.
