| Early stage SCC initiation analysis of fcc Fe–Cr–Ni ternary alloy at 288 C: A quantum chemical molecular dynamics approach NK Das, K Suzuki, K Ogawa, T Shoji Corrosion Science 51 (4), 908-913, 2009 | 84 | 2009 |
| A density functional study of atomic oxygen and water molecule adsorption on Ni (1 1 1) and chromium-substituted Ni (1 1 1) surfaces NK Das, T Shoji Applied Surface Science 258 (1), 442-447, 2011 | 70 | 2011 |
| Quantum chemical molecular dynamics study of stress corrosion cracking behavior for fcc Fe and Fe–Cr surfaces NK Das, K Suzuki, Y Takeda, K Ogawa, T Shoji Corrosion Science 50 (6), 1701-1706, 2008 | 61 | 2008 |
| Early stage oxidation of Ni–Cr binary alloy (1 1 1),(1 1 0) and (1 0 0) surfaces: a combined density functional and quantum chemical molecular dynamics study NK Das, T Shoji Corrosion science 73, 18-31, 2013 | 52 | 2013 |
| An atomic study of hydrogen effect on the early stage oxidation of transition metal surfaces NK Das, T Shoji International journal of hydrogen energy 38 (3), 1644-1656, 2013 | 37 | 2013 |
| Improved Al-Mg alloy surface segregation predictions with a machine learning atomistic potential CM Andolina, JG Wright, N Das, WA Saidi Physical Review Materials 5 (8), 083804, 2021 | 29 | 2021 |
| A fundamental study of Fe–Cr binary alloy–oxide film interfaces at 288° C by computational chemistry calculations NK Das, T Shoji, Y Takeda Corrosion science 52 (7), 2349-2352, 2010 | 29 | 2010 |
| A multiscale modelling study of Ni–Cr crack tip initial stage oxidation at different stress intensities NK Das, I Tirtom, T Shoji Materials Chemistry and Physics 122 (2-3), 336-342, 2010 | 23 | 2010 |
| Adsorption and diffusion of H and O on an Ni (1 1 1) surface containing different amounts of Cr NK Das, T Shoji Applied Surface Science 445, 217-228, 2018 | 20 | 2018 |
| Early stage oxidation initiation at different grain boundaries of fcc Fe–Cr binary alloy: A computational chemistry study NK Das, T Shoji Oxidation of metals 79, 429-441, 2013 | 19 | 2013 |
| Geometry, orbital interaction, and oxygen chemisorption properties of chromium-doped nickel clusters NK Das, T Shoji The Journal of Physical Chemistry C 116 (24), 13353-13367, 2012 | 17 | 2012 |
| A first-principles study of structure, orbital interactions and atomic oxygen and OH adsorption on Mo-, Sc-and Y-doped nickel bimetallic clusters NK Das, T Shoji Journal of alloys and compounds 580, 37-54, 2013 | 12 | 2013 |
| First-principles calculations of hydrogen interactions with nickel containing a monovacancy and divacancies NK Das, T Shoji, T Nishizumi, T Fukuoka, T Sugawara, R Sasaki, ... Materials Research Express 4 (7), 076505, 2017 | 7 | 2017 |
| Density functional theory study of the effect of helium clusters on tritium-containing palladium lattices NK Das, NH De Leeuw Journal of Physics: Condensed Matter 27 (47), 475002, 2015 | 7 | 2015 |
| Modeling stress corrosion cracking growth rates based upon the effect of stress/strain on crack tip interface degradation and oxidation reaction kinetics T Shoji, Z Lu, NK Das, H Murakami, Y Takeda, T Ismail ASME Pressure Vessels and Piping Conference 43697, 1081-1100, 2009 | 7 | 2009 |
| Effects of Cr-doping on the adsorption and dissociation of S, SO, and SO2 on Ni (111) surfaces NK Das, WA Saidi The Journal of Chemical Physics 146 (15), 2017 | 5 | 2017 |
| The effect of helium nano-bubbles on the structures stability and electronic properties of palladium tritides: a density functional theory study NK Das, K Rigby, NH de Leeuw Proceedings of the Royal Society A: Mathematical, Physical and Engineering …, 2014 | 5 | 2014 |
| Modeling stress corrosion crack growth rates based upon the effect of stress/strain on crack tip interface degradation and oxidation reaction kinetics T Shoji, ZP Lu, NK Das, H Murakami, Y Takeda, T Ismail ASME Pressure Vessels and Piping Division Conference, ASME, Paper No …, 2009 | 5 | 2009 |
| Fundamental mechanistic study of stress corrosion cracking: quantum chemical molecular dynamics approach NK Das 東北大学, 2008 | 4 | 2008 |
| Multiscale modeling approach to stress corrosion cracking I Tirtom, NK Das, K Suzuki, K Ogawa, T Shoji Proceedings of the 2008 International Congress on Advances in Nuclear Power …, 2008 | 3 | 2008 |
