검색결과 : 94건
| No. | Article |
|---|---|
| 1 |
Functionalized graphene sheet as a dispersible fuel additive for catalytic decomposition of methylcyclohexane Sim HS, Yetter RA, Hong S, van Duin ACT, Dabbs DM, Aksay IA Combustion and Flame, 217, 212, 2020 |
| 2 |
Simulating the Geological Fate of Terrestrial Organic Matter: Lignin vs Cellulose Atmani L, Valdenaire PL, Pellenq RJM, Bichara C, Van Damme H, van Duin ACT, Ulm FJ, Leyssale JM Energy & Fuels, 34(2), 1537, 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 |
Searching for correlations between vibrational spectral features and structural parameters of silicate glass network Liu HS, Hahn SH, Ren MG, Thiruvillamalai M, Gross TM, Du JC, van Duin ACT, Kim SH Journal of the American Ceramic Society, 103(6), 3575, 2020 |
| 5 |
Atomistic understanding of surface wear process of sodium silicate glass in dry versus humid environments Hahn SH, Liu HS, Kim SH, van Duin ACT Journal of the American Ceramic Society, 103(5), 3060, 2020 |
| 6 |
Atomically thin half-van der Waals metals enabled by confinement heteroepitaxy Briggs N, Bersch B, Wang YX, Jiang J, Koch RJ, Nayir N, Wang K, Kolmer M, Ko W, Duran AD, Subramanian S, Dong CY, Shallenberger J, Fu MM, Zou Q, Chuang YW, Gai Z, Li AP, Bostwick A, Jozwiak C, Chang CZ, Rotenberg E, Zhu J, van Duin ACT, Crespi V, Robinson JA Nature Materials, 19(6), 637, 2020 |
| 7 |
Reductive Gaseous (H-2/NH3) Desulfurization and Gasification of High-Sulfur Petroleum Coke via Reactive Force Field Molecular Dynamics Simulations Zhong QF, Zhang Y, Shabnam S, Xiao J, van Duin ACT, Mathews JP Energy & Fuels, 33(9), 8065, 2019 |
| 8 |
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 |
| 9 |
Development of the ReaxFF Reactive Force Field for Inherent Point Defects in the Si/Silica System Nayir N, van Duin ACT, Erkoc S Journal of Physical Chemistry A, 123(19), 4303, 2019 |
| 10 |
Development of the ReaxFF Methodology for Electrolyte-Water Systems Fedkin MV, Shin YK, Dasgupta N, Yeon J, Zhang WW, van Duin D, van Duin ACT, Mori K, Fujiwara A, Machida M, Nakamura H, Okumura M Journal of Physical Chemistry A, 123(10), 2125, 2019 |