Nishith Das

Profile Information

Degree: PhD(Sep, 2008, Tohoku University)

J-GLOBAL ID: 201801018483117021
researchmap Member ID: B000347003

Papers

Effects of Sc on corrosion and stress corrosion cracking behavior of Sc modified 304L austenitic steel in high temperature water environment

X. Zhong, J. Xu, N. Das, T. Shoji

Proceedings of the 30th ICONE, Paper No. 1882, May, 2023 Peer-reviewed
Improved Al-Mg alloy surface segregation predictions with a machine learning atomistic potential

Christopher M. Andolina, Jacob G. Wright, Nishith Das, Wissam A. Saidi

Physical Review Materials, 5(8), Aug 24, 2021 Peer-reviewed
Interaction and diffusion of atomic oxygen in monovacancy-containing Cr- and Ti-doped nickel structures

Nishith Kumar Das, Tetsuo Shoji, Takeharu Nishizumi, Taishi Fukuoka, Takeshi Sugahara, Ryota Sasaki, Tadashi Tatsuki, Hideki Yuya, Keisuke Ito, Kimihisa Sakima …

Physica B: Condensed Matter, 582, Apr, 2020 Peer-reviewed
Aging degradation characteristics and long-term performance of structural materials for energy conversion systems

Xiangyu Zhong, Zihao Wang, Fethi Hamdani, Jian Xu, Nishith Kumar Das, Yoichi Takeda, Tetsuo Shoji

Corrosion, 75(3) 254-266, Mar, 2020 Peer-reviewed
Adsorption and diffusion of H and O on an Ni(1 1 1) surface containing different amounts of Cr

Nishith Kumar Das, Tetsuo Shoji

Applied Surface Science, 445 217-228, Jul 1, 2018 Peer-reviewed
Development of Ultra-high Purity (UHP) Fe-Based Alloys with High Creep and Oxidation Resistance for A-USC Technology

Fethi Hamdani, Nishith K. Das, Tetsuo Shoji

Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science, 49(6) 2373-2383, Jun 1, 2018 Peer-reviewed
First-principles calculations of hydrogen interactions with nickel containing a monovacancy and divacancies

Nishith K. Das, Tetsuo Shoji, Takeharu Nishizumi, Taishi Fukuoka, Takeshi Sugawara, Ryouta Sasaki, Tadashi Tatsuki, Hideki Yuya, Keisuku Ito, Kimihisa Sakima …

Materials Research Express, 4(7), Jul, 2017 Peer-reviewed
Effects of Cr-doping on the adsorption and dissociation of S, SO, and SO<inf>2</inf> on Ni(111) surfaces

Nishith K. Das, Wissam A. Saidi

Journal of Chemical Physics, 146(15), Apr, 2017 Peer-reviewed
FIRST-PRINCIPLES STUDY OF ATOMIC HYDROGEN AND OXYGEN ADSORPTION ON DOPED-IRON NANOCLUSTERS

Nishith K. Das, T. Shoji

PROCEEDINGS OF THE 24TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING, 2016, VOL 1, 2016 Peer-reviewed
Density functional theory study of the effect of helium clusters on tritium-containing palladium lattices

N. K. Das, N. H. De Leeuw

Journal of Physics Condensed Matter, 27(47), Oct 13, 2015 Peer-reviewed
The effect of helium nano-bubbles on the structures stability and electronic properties of palladium tritides: A density functional theory study

N. K. Das, K. Rigby, N. H. De Leeuw

Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 470(2171), Nov 8, 2014 Peer-reviewed
Proactive materials degradation management (PMDM) and long-term operation

T. Shoji, Y. Takeda, J. Kuniya, P. Ford, P. Sco, N. K. Das

Proceedings of the 16th International Conference on Environmental Degradation of Materials in Nuclear Power Systems-Water Reactors, Aug, 2013 Peer-reviewedLast author
Early stage oxidation of Ni-Cr binary alloy (111), (110) and (100) surfaces: A combined density functional and quantum chemical molecular dynamics study

Nishith Kumar Das, Tetsuo Shoji

Corrosion Science, 73 18-31, Aug, 2013 Peer-reviewed
Early stage oxidation initiation at different grain boundaries of fcc Fe-Cr binary alloy: A computational chemistry study

Nishith Kumar Das, Tetsuo Shoji

Oxidation of Metals, 79(3-4) 429-441, Apr, 2013 Peer-reviewed
An atomic study of hydrogen effect on the early stage oxidation of transition metal surfaces

Nishith Kumar Das, Tetsuo Shoji

International Journal of Hydrogen Energy, 38(3) 1644-1656, Feb 6, 2013 Peer-reviewed
A first-principles study of structure, orbital interactions and atomic oxygen and OH adsorption on Mo-, Sc- and Y-doped nickel bimetallic clusters

Nishith Kumar Das, Tetsuo Shoji

Journal of Alloys and Compounds, 580 37-54, 2013 Peer-reviewed
Geometry, orbital interaction, and oxygen chemisorption properties of chromium-doped nickel clusters

Nishith K. Das, Tetsuo Shoji

Journal of Physical Chemistry C, 116(24) 13353-13367, Jun 21, 2012 Peer-reviewed
A density functional study of atomic oxygen and water molecule adsorption on Ni(1 1 1) and chromium-substituted Ni(1 1 1) surfaces

Nishith Kumar Das, Tetsuo Shoji

Applied Surface Science, 258(1) 442-447, Oct 15, 2011 Peer-reviewed
A fundamental study of an Fe-Cr(111) binary alloy-metal oxide(110)-water interfaces

Nishith Kumar Das, Tetsuo Shoji

NACE - International Corrosion Conference Series, 2011 Peer-reviewed
An atomistic study of oxidation initiation on different kinds of Fcc Fe-Cr binary alloy surfaces

N. K. Das, T. Shoji

AIST Steel Properties and Applications Conference Proceedings - Combined with MS and T'11, Materials Science and Technology 2011, 2 701-708, 2011 Peer-reviewed

Presentations

Understanding the mechanism of hydrogen-accelerated oxidation in nickel-based alloys: A combined DFT and tight-binding QCMD study

N. K. Das, T. Shoji

International Symposium on Material Service Performance in Nuclear Power Plants, Shanghai Invited
A density functional theory study of the effect of helium clusters on defect-containing palladium tritides

N. K. Das, N.H. de Leeuw

12th Europhysical Conference on Defects in Insulating Materials
Computational chemistry approaches to predicting localized corrosion at the alloy/water interfaces

N.K. Das

USTB, Beijing, China, Jun 14, 2014 Invited
Chromium concentration effect on an alloy surface stability and oxidation initiation

N. K. Das, T. Shoji

Joint International Conference on Supercomputing in Nuclear Applications and Monte Carlo 2013
A theoretical study of the interaction of water with the Cr2O3(110) and Fe2O3(110) surfaces

N.K. Das, T. Shoji

EUROCORR 2011
Proactive Materials Degradation Management of Nuclear Power Plants – Tohoku Approach

N.K. Das

American International University-Bangladesh, Bangladesh, Apr 6, 2011 Invited
Environmentally assisted cracking – Scope and Asian activities

N.K. Das

Atomic Energy Commission of Bangladesh, Bangladesh, Dec 31, 2009 Invited
Quantum chemical molecular dynamics study of strain effect on metal and oxide interface interaction at high temperature

N.K. Das, K. Suzuki, Y. Takeda, K. Ogawa, T. Shoji

EUROCORR 2008

Academic Activities

Corrosion Science, Applied Surface Science, Journal Alloys and Compound, Materials Chemistry and Physics, Journal of Physics, Journal of Nuclear Materials, Frontiers in Materials

Peer review

2008

Media Coverage

Computational Science: its contribution to economy

The Daily Star, Bangladesh, Sep, 2013 Newspaper, magazine

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