Graduate School of Engineering, Division of Material Chemistry Assistant Professor
Area of expertise
Chemical physics and computational science of inorganic glasses and glass melts
(configuration entropy, structural relaxation, energy landscape, viscous flow, crystallization, thermal conduction, ionic conduction, external field-induced changes, interatomic potentials, quasi-classical molecular dynamics calculations, ab initio molecular dynamics calculations, machine learning molecular dynamics calculations)
Research Summary
We believe that a microscopic or thermodynamic understanding of the mechanism of dynamic properties in inorganic glasses and glass melts will enable more accurate prediction of macroscopic properties and lead to the improvement and development of glass functions and new manufacturing processes. The objective of this project is to discover the laws of inorganic glasses and glass melts by molecular dynamics and first-principles calculations and their experimental assessment. The following topics are in progress with the goal of understanding and controlling the relationship between non-equilibrium states, atomic arrangements, electronic states, and dynamic properties.
・Development of interatomic potentials (classical potentials and machine-learned potentials) with emphasis on reproducing the physical properties of glasses and glass melts.
・Development of molecular dynamics algorithms to accelerate relaxation near glass transitions.
・Control of physical properties of inorganic glasses by focusing on configuration entropy
・Analysis of relaxation processes below the glass transition temperature and development of a new relaxation model
・Analysis of chemical reactions in glass and glass melts and their correlation with viscous flow
・Microscopic mechanism of thermal conductivity of glass and glass melts and prediction of thermal conductivity with high accuracy.
・Microscopic understanding of glass crystallization process
・Development of a theoretical model of the Soret effect in glass melts
Languages
Japanese, English
Education
2003/4 – 2007/3 Undergraduate school of Industrial Chemistry, Kyoto University, Japan (Professor Kazuyuki Hirao)
2007/4-2009/3 Master’s course, Graduate School of Engineering, Kyoto University, Japan (Professor Kazuyuki Hirao)
2009/4-2012/3 Doctor’s course, Graduate School of Engineering, Kyoto University, Japan (Professor Kazuyuki Hirao)
2012/3 Ph.D. degree in engineering, Kyoto University, Japan
Professional career
2009/4-2012/3 Research fellow (DC1), the Japan Society for the Promotion of Science, Japan
2012/4-2013/4 Postdoctral research fellow (PD), the Japan Society for the Promotion of Science, Japan
2013/5- Assistant professor, Kyoto University, Japan
2017/7-2017/9 Visiting researcher, Alfred University, USA (Professor Alastair N. Cormack)
Award
・CerSJ 21st Century Awards: The Motoharu Kurata Award, The Ceramic Society of Japan, November, 2022.
・CerSJ Awards for advancements in ceramic science and technology, The Ceramic Society of Japan, “Soret effect in glass-forming oxide melts”, November 29, 2018.
・Academic presentation award, Meeting of the Ceramic Society of Japan (Kansai branch), ”Molecular dynamics study of the Soret effect in CaO-SiO2 glass melts”, July 14, 2017.
・The best report on laser micro-and nanotechnologies, International conference Fundamentals of Laser Assisted Micro- and Nanotechnologies, “Space-selective phase separation induced by femtosecond laser irradiation”, St. Petersburg, July 8, 2010.
・Excellent presentation award, 40th Seminar for young researcher, The Ceramic Society of Japan, “Temperature distribution under high-repetition femtosecond laser irradiation inside glass”, August 1, 2008.