拠点研究員のプロフィール
2014年10月にCMSIに着任した拠点研究員を紹介します。
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Swastibarata Bhattacharyya
Materials Science Division Researcher
Department of Physics, Yokohama National University
I did my masters in physics from Indian Institute of Technology Guwahati. I received my PhD in the field of material science from Indian Institute of Science,Bangalore. At present, I am working on first principles mapping onto phase field model at Department of Physics, Yokohama National University, Japan
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Motivation for applying for the position
To learn development of first principles based theory and code that will be used to study materials properties.
Mission/Role
Phase field methods are very effective in studying the evolution of microstructures in various materials. We want to bridge this empirical method to the first principles based atomistic methods.
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Ambition
To learn and contribute to the first-principles allelectron mixed basis program TOMBO.
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Sankar Kumar
Deb Nath
Materials Science Division Researcher
Institute for Materials Research, Tohoku University
I obtained Ph.D. from the department of Mechanical Engineering, Bangladesh Universityof Engineering and Technology, Dhaka, Bangladesh on the mechanics of composit materials.Majored in multi-scale modelling in mechanics of solids and liquids, atomistic simulations of physics and chemistry related problems. Currently I am working on the phase field modelling of Cu, Al and Cu-Al alloys using molecular dynamics simulation.
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Motivation for applying for the position
Dendrite structures are formed during the solidification of pureand alloy materials due to the anisotropy of the phase change of the solid-liquid interface. Detailed investigation of the physical and thermodynamic properties of the solid liquid interface are needed by the atomistic approach like molecular dynamic simulations to study the anisotropy of the solid-liquid interface during solidification using the large scale phase field modelling.
Mission/Role
The anisotropy of the solid-liquid interfacial properties of Cu, Al and Cu-Al alloys such as kinetic coefficient, melting point, interfacial free energy etc. will be determined from the project.
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Ambition
My aim is to investigate the thermodynamic properties of the solid-liquid interface of Cu, Al and Cu-Al alloys.
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Sergi
Ruiz-Barragan
Molecular Science
Division Researcher
Japan Atomic Energy Agency
Graduated in Chemistry at University of Girona and received the Doctorate in the same university with a exited states and non-stationary processes thesis. Current research with path integrals and QM/MM Molecular dynamics in Shiga's group at JAEA .
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Motivation for applying for the position
Develop new methods for studying dynamics. Chemist is not a static science and I think that we need to understand correctly the movement of atoms and molecules to improve the reaction and obtain greener ways to produce some products.
Mission/Role
To improve the path integral code for QM/MM and use it for study some reactions with the solvent for understand the temperature and the isotope effects in reactions.
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Ambition
Provide a new program for doing molecular dynamics and path integrals at the same time that I improve my conception of the molecular movement.
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