| 1 |
Study of Sedimentation in Jet Fuels Due to Watering Using Methods of Molecular Mechanics
Oreshenkov AV
Chemistry and Technology of Fuels and Oils, 56(5), 763, 2020 |
| 2 |
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 |
| 3 |
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 |
| 4 |
Polymer rheology predictions from first principles using the slip-link model
Becerra D, Cordoba A, Katzarova M, Andreev M, Venerus DC, Schieber JD
Journal of Rheology, 64(5), 1035, 2020 |
| 5 |
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 |
| 6 |
Reactive Molecular Dynamics Study on the Effect of H2O on the Thermal Decomposition of Ammonium Dinitramide
Zeng T, Yang RJ, Li DH, Li JM, Guo XY, Luo P
Propellants Explosives Pyrotechnics, 45(10), 1590, 2020 |
| 7 |
Reactive Molecular Dynamics Study on the Effect of H2O on the Thermal Decomposition of Ammonium Dinitramide
Zeng T, Yang RJ, Li DH, Li JM, Guo XY, Luo P
Propellants Explosives Pyrotechnics, 45(10), 1590, 2020 |
| 8 |
Effect of grain boundaries on the interfacial behaviour of graphene-polyethylene nanocomposite
Verma A, Parashar A, Packirisamy M
Applied Surface Science, 470, 1085, 2019 |
| 9 |
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 |
| 10 |
Energy analysis of a surfactant micelle's deformation by coarse-grained molecular dynamics simulations
Zhou WJ, Liu F, Liu DJ, Chen F, Wei JJ
Chemical Engineering Science, 202, 138, 2019 |
