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Aditya Dilip Lele
Aditya Dilip Lele
Outros nomesAditya Lele
Associate Research Scholar, Princeton University
E-mail confirmado em princeton.edu
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Depolymerization of plastics by means of electrified spatiotemporal heating
Q Dong, AD Lele, X Zhao, S Li, S Cheng, Y Wang, M Cui, M Guo, ...
Nature 616 (7957), 488-494, 2023
542023
ReaxFF molecular dynamics study on pyrolysis of bicyclic compounds for aviation fuel
A Lele, H Kwon, K Ganeshan, Y Xuan, ACT van Duin
Fuel 297, 120724, 2021
492021
ReaxFF-based molecular dynamics study of bio-derived polycyclic alkanes as potential alternative jet fuels
H Kwon, A Lele, J Zhu, CS McEnally, LD Pfefferle, Y Xuan, ACT van Duin
Fuel 279, 118548, 2020
462020
Autoignition studies of Liquefied Natural Gas (LNG) in a shock tube and a rapid compression machine
SK Vallabhuni, AD Lele, V Patel, A Lucassen, K Moshammer, M AlAbbad, ...
Fuel 232, 423-430, 2018
352018
Experimental and chemical kinetic modeling investigation of methyl butanoate as a component of biodiesel surrogate
AD Lele, SK Vallabhuni, K Moshammer, RX Fernandes, A Krishnasamy, ...
Combustion and Flame 197, 49-64, 2018
212018
A reactive molecular dynamics study of the effects of an electric field on n-dodecane combustion
E Kritikos, A Lele, ACT van Duin, A Giusti
Combustion and Flame 244, 112238, 2022
182022
Methanol oxidation up to 100 atm in a supercritical pressure jet-stirred reactor
Z Wang, H Zhao, C Yan, Y Lin, AD Lele, W Xu, B Rotavera, AW Jasper, ...
Proceedings of the Combustion Institute 39 (1), 445-453, 2023
122023
ReaxFF Force Field Development for Gas-Phase hBN Nanostructure Synthesis
A Lele, P Krstic, ACT Van Duin
The Journal of Physical Chemistry A 126 (4), 568-582, 2022
122022
Atomistic-Scale Simulations on Graphene Bending Near a Copper Surface
M Kowalik, MJ Hossain, A Lele, W Zhu, R Banerjee, T Granzier-Nakajima, ...
Catalysts 11 (2), 208, 2021
102021
Surrogates for biodiesel: review and challenges
AD Lele, K Anand, K Narayanaswamy
Biofuels: Technology, Challenges and Prospects, 177-199, 2017
102017
On the Origin of Nonclassical Ripples in Draped Graphene Nanosheets: Implications for Straintronics
R Banerjee, T Granzier-Nakajima, A Lele, JA Schulze, MJ Hossain, W Zhu, ...
ACS Applied Nano Materials 5 (8), 10829-10838, 2022
42022
Experimental and Modeling Investigation of NO Formation Mechanism for Biodiesel and Its Blend with Methanol
A Lele, K Soni, K Narayanaswamy, A Krishnasamy
SAE Technical Paper, 2019
42019
A stable atmospheric-pressure plasma for extreme-temperature synthesis.
H Xie, N Liu, Q Zhang, H Zhong, L Guo, X Zhao, D Li, S Liu, Z Huang, ...
Nature 623 (7989), 964-971, 2023
32023
Assessment of the impact of reactor residence time distribution on non-equilibrium product selectivity of polypropylene pyrolysis using reactive molecular dynamics simulations
AD Lele, Y Ju
Fuel 338, 127328, 2023
32023
Atomistic insight into the effects of electrostatic fields on hydrocarbon reaction kinetics
EM Kritikos, A Lele, ACT Van Duin, A Giusti
The Journal of Chemical Physics 158 (5), 2023
22023
Modelling the effect of surface charging on plasma synthesis of ammonia using DFT
AD Lele, Y Xu, Y Ju
Physical Chemistry Chemical Physics 26 (12), 9453-9461, 2024
12024
Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data
Z Shi, AD Lele, AW Jasper, SJ Klippenstein, Y Ju
The Journal of Physical Chemistry A, 2024
2024
Quasi-classical Trajectory Calculation of Rate Constants Using Ab-initio Trained Machine Learning Force Field (aML-MD)
Z Shi, A Lele, A Jasper, S Klippenstein, Y Ju
AIAA SCITECH 2024 Forum, 0797, 2024
2024
Study of Reaction Driven Processes Using Molecular Dynamics: Applications of Reaxff for Combustion Chemistry and Material Synthesis
AD Lele
The Pennsylvania State University, 2021
2021
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Artigos 1–19