| 1 |
Exploring the internal structure of soot particles using nanoindentation: A reactive molecular dynamics study
Pascazio L, Martin JW, Bowal K, Akroyd J, Kraft M
Combustion and Flame, 219, 45, 2020 |
| 2 |
Electric field effects on hydrogen/methane oxidation: A reactive force field based molecular dynamics study
Sun FZ, Zeng WL
International Journal of Hydrogen Energy, 45(39), 20194, 2020 |
| 3 |
Structural features of sodium silicate glasses from reactive force field-based molecular dynamics simulations
Deng L, Urata S, Takimoto Y, Miyajima T, Hahn SH, van Duin ACT, Du JC
Journal of the American Ceramic Society, 103(3), 1600, 2020 |
| 4 |
Effect of grain boundaries on the interfacial behaviour of graphene-polyethylene nanocomposite
Verma A, Parashar A, Packirisamy M
Applied Surface Science, 470, 1085, 2019 |
| 5 |
Elucidating the role of extended surface defects at Fe surfaces on CO adsorption and dissociation
Chakrabarty A, Bentria E, Omotayo SA, Bouhali O, Mousseau N, Becquart CS, El Mellouhi F
Applied Surface Science, 491, 792, 2019 |
| 6 |
Pyrolysis of binary fuel mixtures at supercritical conditions: A ReaxFF molecular dynamics study
Ashraf C, Shabnam S, Jain A, Xuan Y, van Duin ACT
Fuel, 235, 194, 2019 |
| 7 |
Ethanol oxidation with high water content: A reactive molecular dynamics simulation study
Feng MY, Jiang XZ, Zeng WL, Luo KH, Hellier P
Fuel, 235, 515, 2019 |
| 8 |
Molecular dynamics simulation of sodium aluminosilicate glass structures and glass surface-water reactions using the reactive force field (ReaxFF)
Dongol R, Wang L, Cormack AN, Sundaram SK
Applied Surface Science, 439, 1103, 2018 |
| 9 |
ReaxFF simulations of petroleum coke sulfur removal mechanisms during pyrolysis and combustion
Zhong QF, Mao QY, Xiao J, van Duin ACT, Mathews JP
Combustion and Flame, 198, 146, 2018 |
| 10 |
Study of pyrolysis of brown coal and gasification of coal-water slurry using the ReaxFF reactive force field
Zhou ZJ, Guo LZ, Chen LP, Shan SQ, Wang ZH
International Journal of Energy Research, 42(7), 2465, 2018 |
