Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Aditya Lele"'
Autor:
Riju Banerjee, Tomotaroh Granzier-Nakajima, Aditya Lele, Jessica A. Schulze, Md Jamil Hossain, Wenbo Zhu, Lavish Pabbi, Malgorzata Kowalik, Adri C. T. van Duin, Mauricio Terrones, E. W. Hudson
Publikováno v:
ACS Applied Nano Materials. 5:10829-10838
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5583cf26a782715df7b4da6dd2ae90a4
https://doi.org/10.1021/acsanm.2c02137
https://doi.org/10.1021/acsanm.2c02137
Publikováno v:
The Journal of Physical Chemistry A. 126:568-582
Two-dimensional (2D) hexagonal boron nitride materials are isomorphs of carbon nanomaterials and hold promise for electronics applications owing to their unique properties. Despite the recent advances in synthesis, the current production capacity for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::112be1822bd3e8629234c2f9b0b0c60a
https://doi.org/10.1021/acs.jpca.1c09648
https://doi.org/10.1021/acs.jpca.1c09648
Reactive Molecular Dynamics (MD) and Density Functional Theory (DFT) computations are performed to provide insight into the effects of external electrostatic fields on hydrocarbon reaction kinetics. By comparing the results from MD and DFT, the suita
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ebd3f9c384550b68788bc3be15221f7d
http://hdl.handle.net/10044/1/101731
http://hdl.handle.net/10044/1/101731
Autor:
Aditya Lele, Yiguang Ju
Publikováno v:
Fuel. 338:127328
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0a859c163671fe4ef271dbf32b394f3e
https://doi.org/10.1016/j.fuel.2022.127328
https://doi.org/10.1016/j.fuel.2022.127328
A reactive Molecular Dynamics (MD) study of n-dodecane combustion at high temperatures under externally applied electrostatic fields is performed to investigate their effect on chemical kinetics. A local charge equilibration method is used to enable
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::106673e8992ca54ba09efba52a2274cd
http://hdl.handle.net/10044/1/98257
http://hdl.handle.net/10044/1/98257
Autor:
Jamil Hossain, Mauricio Terrones, Eric Hudson, Malgorzata Kowalik, Wenbo Zhu, Tomotaroh Granzier-Nakajima, Riju Banerjee, Adri C. T. van Duin, Aditya Lele
Publikováno v:
Catalysts, Vol 11, Iss 208, p 208 (2021)
Catalysts
Volume 11
Issue 2
Catalysts
Volume 11
Issue 2
Molecular insights into graphene-catalyst surface interactions can provide useful information for the efficient design of copper current collectors with graphitic anode interfaces. As graphene bending can affect the local electron density, it should
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af2eb979c5cc7dd4e29d73c81ef4f624
https://www.mdpi.com/2073-4344/11/2/208
https://www.mdpi.com/2073-4344/11/2/208
Autor:
Sonal K. Vallabhuni, Anand Krishnasamy, Kai Moshammer, Krithika Narayanaswamy, Aditya Lele, Ravi Fernandes
Publikováno v:
Combustion and Flame. 197:49-64
Biodiesel is a potential alternative to fossil diesel. In combustion simulations, in order to circumvent the difficulty in integrating reaction schemes for biodiesels, which are typically of a large size and not well understood, a surrogate approach
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d83e075263679114625af62a4397859c
https://doi.org/10.1016/j.combustflame.2018.06.033
https://doi.org/10.1016/j.combustflame.2018.06.033
Autor:
Aditya Lele, Ravi Fernandes, Kai Moshammer, Aamir Farooq, Vaibhav Patel, Arnas Lucassen, Mohammed AlAbbad, Sonal K. Vallabhuni
Publikováno v:
Fuel. 232:423-430
Liquefied Natural Gas (LNG) has become an increasingly important world energy resource and is a part of the European Union clean fuel strategy launched in 2013. Therefore, there are currently several ongoing measurement strategies considering quality
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d58deac98ff039241bf201444b9dfb8a
https://doi.org/10.1016/j.fuel.2018.04.168
https://doi.org/10.1016/j.fuel.2018.04.168
Publikováno v:
Fuel. 297:120724
In this paper, we investigate the initial fuel pyrolysis of four bicyclic compounds, which are potential alternative jet fuels, using ReaxFF force field based molecular dynamics (MD) simulations. These fuels can be separated into two categories, (a)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2152c2329b99d3992221edbfda123d54
https://doi.org/10.1016/j.fuel.2021.120724
https://doi.org/10.1016/j.fuel.2021.120724
Publikováno v:
SAE Technical Paper Series.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9974284cc7995e3db3aad173942f445c
https://doi.org/10.4271/2019-01-0217
https://doi.org/10.4271/2019-01-0217