Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Subodh C Tiwari"'
Autor:
Liqiu Yang, Subodh C. Tiwari, Shogo Fukushima, Fuyuki Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta, Paulo S. Branicio
Publikováno v:
The Journal of Physical Chemistry Letters. 13:10230-10236
Nonadiabatic quantum molecular dynamics is used to investigate the evolution of GeTe photoexcited states. Results reveal a photoexcitation-induced picosecond nonthermal path for the loss of long-range order. A valence electron excitation threshold of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1264edb367c07c814d8a3475a3908966
https://doi.org/10.1021/acs.jpclett.2c02448
https://doi.org/10.1021/acs.jpclett.2c02448
Autor:
Emily J. Gurniak, Subodh C. Tiwari, Sungwook Hong, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Paulo S. Branicio
Publikováno v:
The Journal of chemical physics. 157(4)
Aramid fibers composed of poly( p-phenylene terephthalamide) (PPTA) polymers are attractive materials due to their high strength, low weight, and high shock resilience. Even though they have widely been utilized as a basic ingredient in Kevlar, Twaro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::88466ccafceb6347666e0bc7ea5d9d08
https://pubmed.ncbi.nlm.nih.gov/35922358
https://pubmed.ncbi.nlm.nih.gov/35922358
Autor:
Aravind, Krishnamoorthy, Subodh C, Tiwari, Aiichiro, Nakano, Rajiv K, Kalia, Priya, Vashishta
Publikováno v:
Nanotechnology. 32(49)
Scandium-doped aluminum nitride, Al
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::52dc03627b64e6e64bc193e7c6b875cd
https://pubmed.ncbi.nlm.nih.gov/34433137
https://pubmed.ncbi.nlm.nih.gov/34433137
Autor:
Subodh C, Tiwari, Rajiv K, Kalia, Aiichiro, Nakano, Fuyuki, Shimojo, Priya, Vashishta, Paulo S, Branicio
Publikováno v:
The journal of physical chemistry letters. 11(23)
Phase-change materials are of great interest for low-power high-throughput storage devices in next-generation neuromorphic computing technologies. Their operation is based on the contrasting properties of their amorphous and crystalline phases, which
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::a74a8bae801d3505324d71c1600002fa
https://pubmed.ncbi.nlm.nih.gov/33210918
https://pubmed.ncbi.nlm.nih.gov/33210918
Autor:
Seong Soon, Jo, Akshay, Singh, Liqiu, Yang, Subodh C, Tiwari, Sungwook, Hong, Aravind, Krishnamoorthy, Maria Gabriela, Sales, Sean M, Oliver, Joshua, Fox, Randal L, Cavalero, David W, Snyder, Patrick M, Vora, Stephen J, McDonnell, Priya, Vashishta, Rajiv K, Kalia, Aiichiro, Nakano, R, Jaramillo
Publikováno v:
Nano letters. 20(12)
A thorough understanding of native oxides is essential for designing semiconductor devices. Here, we report a study of the rate and mechanisms of spontaneous oxidation of bulk single crystals of ZrS
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::ab986281e31123c8be0573dd87e51cd3
https://pubmed.ncbi.nlm.nih.gov/33180506
https://pubmed.ncbi.nlm.nih.gov/33180506
Autor:
Subodh C. Tiwari, Rajiv K. Kalia, Pankaj Rajak, Ken-ichi Nomura, Kuang Liu, Aravind Krishnamoorthy, Aiichiro Nakano, Priya Vashishta
Publikováno v:
IPDPS Workshops
Neural network molecular dynamics (NNMD) simulations could revolutionize atomistic modeling of materials with quantum-mechanical accuracy at a fraction of computational cost. However, popular NNMD frameworks are generally implemented for a single com
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f1341c5c74b9dfe7925b43ac4ece9988
https://doi.org/10.1109/ipdpsw50202.2020.00167
https://doi.org/10.1109/ipdpsw50202.2020.00167
Autor:
Jing Ning, J. C. Martinez, Jamo Momand, Heng Zhang, Subodh C. Tiwari, Fuyuki Shimojo, Aiichiro Nakano, Rajiv K. Kalia, Priya Vashishta, Paulo S. Branicio, Bart J. Kooi, Robert E. Simpson
Publikováno v:
SSRN Electronic Journal.
High quality van der Waals chalcogenides are important for phase change data storage, thermoelectrics, and spintronics. Using a combination of statistical design of experiments and density functional theory, we clarify how the out-of-equilibrium van
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b35201cfcf5485cabe21fbd6c7278f1
https://doi.org/10.2139/ssrn.3610487
https://doi.org/10.2139/ssrn.3610487
Publikováno v:
Journal of Chemical Sciences. 124:327-332
Constrained molecular dynamics is used to calculate the potentials of mean force for the exo and endo dissociation of 2-norbornyl chlorides in two solvents, namely water and dimethyl sulphoxide (DMSO). The gas phase potential energy curves for the 2-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b78ea3dc6d8abe6802bb73393db6cbdf
https://doi.org/10.1007/s12039-012-0232-6
https://doi.org/10.1007/s12039-012-0232-6