Username:
kumagai

Title:
Dr.

First Name:
Tomohisa

Last Name:
Kumagai

Published Name:
Tomohisa Kumagai

OpenKIM User ID:
bd60bce7-3503-4782-afa4-26ec2e69707a

Email:
kumagai@criepi.denken.or.jp

Institution:
Central Research Institute of Electric Power Industry

Department:
Materials Science Laboratory

Country:
JP

Website:
https://criepi.denken.or.jp

Biography:


Description of Work:
Charge transfer potential for silica 
Modified Tersoff potential for silicon 
Tersoff potential for Si-B 
EAM potential for Zr-Ni 
generalized EAM potential for Ru 
Screened Tersoff potential for carbon 
Morse potential for silicon clathrate 
Bond-order potential for Fe-Cr-C

Materials
silica 
silicon 
boron in silicon 
Zr-Ni metallic glass 
Ru 
amorphous carbon 
silicon clathrate 
Chromium carbide in iron

Bibliography
T. Kumagai, S. Hara, S. Izumi, S. Sakai, “Development of a bond-order type interatomic potential for Si-B systems”, Modeling and Simulation in Materials Science and Engineering, Vol. 14, pp.S29-S37 (2006). 
T. Kumagai, S. Izumi, S. Hara, S. Sakai ,"Development of bond-order potentials that can reproduce the elastic constants and melting point of silicon for classical molecular dynamics simulation", Computational Materials Science,Vol.39, pp.457-464(2007) 
T. Kumagai, S. Izumi, S. Hara, S. Sakai ,"Development of bond-order potentials that can reproduce the elastic constants and melting point of silicon for classical molecular dynamics simulation", Computational Materials Science,Vol.39, pp.457-464(2007). 
T. Kumagai, D. Nikkuni, S. Hara, S. Izumi, S. Sakai ,"Development of interatomic potential for Zr-Ni amorphous systems", Materials Transactions,Vol.48, pp.1313-1321(2007). 
T. Kumagai, S. Hara, J. Choi, S. Izumi, T. Kato ,"Development of empirical bond-order-type interatomic potential for amorphous carbon structures", Journal of Applied Physics,Vol.105article number64310 (2009). 
S. Hara, T. Kumagai, S. Izumi, S. Sakai, "Multiscale analysis on the onset of nanoindentation-induced delamination: Effect of high-modulus Ru overlayer", Acta Materialia,Vol.57, pp.4209-4216(2009). 
T. Kumagai, K. Nakamura, S. Yamada, T. Ohnuma, "Simple bond-order-type interatomic potential for an intermixed Fe-Cr-C system of metallic and covalent bondings in heat-resistant ferritic steels", Journal of Applied Physics, Vol.116, article number 4904447 (2014). 
M. Arai, Y. Takahashi, T. Kumagai, "Determination of high-temperature elastoplastic properties of welded joints by indentation test", Materials at High Temperatures, Vol. 32, pp.475-482 (2015). 
T. Kumagai, K. Nakamura, S. Yamada, T. Ohnuma, "Effects of guest atomic species on the lattice thermal conductivity of type-I silicon clathrate studied via classical molecular dynamics", Journal of Chemical Physics, Vol.145, article number 64702 (2016). 



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Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000


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