Zobrazeno 1 - 10
of 286
pro vyhledávání: '"A V, Balachandran"'
Autor:
S. Mallika, B. Revathi, V. Balachandran, Natarajan Elangovan, Ling Shing Wong, Saminathan Kayarohanam, Natarajan Arumugam, Sinouvassane Djearamane
Publikováno v:
Journal of King Saud University: Science, Vol 36, Iss 11, Pp 103574- (2024)
The study investigated the structure, spectroscopy, and chemical reactivity of 2′,4′-dichloroacetophenone using DFT and Hartree-Fock (HF) methods. The B3LYP and LC DFT (CAM-B3LYP) methods were applied to a 6–311++G (d, p) basis set combination.
Externí odkaz:
https://doaj.org/article/1314cedb20f04820b51ee5b285cc71b5
Autor:
Tao Liu, Camelia M. Selcu, Binbin Wang, Núria Bagués, Po-Kuan Wu, Timothy Q. Hartnett, Shuyu Cheng, Denis Pelekhov, Roland A. Bennett, Joseph Perry Corbett, Jacob R. Repicky, Brendan McCullian, P. Chris Hammel, Jay A. Gupta, Mohit Randeria, Prasanna V. Balachandran, David W. McComb, Roland K. Kawakami
Publikováno v:
Communications Physics, Vol 6, Iss 1, Pp 1-7 (2023)
Abstract Creating materials that do not exist in nature can lead to breakthroughs in science and technology. Magnetic skyrmions are topological excitations that have attracted great attention recently for their potential applications in low power, ul
Externí odkaz:
https://doaj.org/article/5382026ac9da4d9899f5a847071e08b5
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-15 (2022)
Abstract We demonstrate the capabilities of two model-agnostic local post-hoc model interpretability methods, namely breakDown (BD) and shapley (SHAP), to explain the predictions of a black-box classification learning model that establishes a quantit
Externí odkaz:
https://doaj.org/article/ab8174eadc1b4fecbbff96abe52f51de
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-12 (2022)
Abstract There is intense interest in uncovering design rules that govern the formation of various structural phases as a function of chemical composition in multi-principal element alloys (MPEAs). In this paper, we develop a machine learning (ML) ap
Externí odkaz:
https://doaj.org/article/5015ccddcae443579659f79b9b62480a
Publikováno v:
AIP Advances, Vol 12, Iss 4, Pp 045012-045012-6 (2022)
Y2SiO5 is one of the promising environmental barrier coating (EBC) materials that protect the gas turbine engine components from unfavorable reactions at higher temperatures. The Y2SiO5 compound forms in the monoclinic crystal structure (C2/c space g
Externí odkaz:
https://doaj.org/article/1ee3c263787b4b5babeccd25f133822e
Publikováno v:
JPhys Energy, Vol 5, Iss 2, p 024019 (2023)
Rare-earth-free magnetostructural MnNiSi-based solid solutions are considered as promising candidates for solid-state cooling applications. In this paper, we use density functional theory calculations to study the energetics, variations in atomic dis
Externí odkaz:
https://doaj.org/article/900d8c2c6e3e45708142e2e1a226a1b2
Autor:
N. Shanmugapriya, V. Balachandran, B. Revathi, B. Narayana, Vinutha V. Salian, K. Vanasundari, C. Sivakumar
Publikováno v:
Heliyon, Vol 7, Iss 7, Pp e07634- (2021)
The research received a great deal of worldwide attention due to the nature of interpretation before the experimental process. Based on the systematic process the structure of thiazole -pyrazole compound 4-[{2-[3-(4-chlorophenyl)-5-(4-propan-2-yl) ph
Externí odkaz:
https://doaj.org/article/fd9aa3e3d67b48d0b0fc809837fe4509
Publikováno v:
AIP Advances, Vol 11, Iss 1, Pp 015334-015334-6 (2021)
Ferrimagnetic alloy thin films that exhibit perpendicular (out-of-plane) magnetic anisotropy (PMA) with low saturation magnetization, such as GdCo and Mn4N, were predicted to be favorable for hosting small Néel skyrmions for room temperature applica
Externí odkaz:
https://doaj.org/article/2cbf0cf821be433dab2948536f63590e
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-9 (2018)
Experimental search for high-temperature ferroelectric perovskites is challenging due to the vast chemical space and lack of predictive guidelines. Here the authors demonstrate a two-step machine learning approach to sequentially guide experiments in
Externí odkaz:
https://doaj.org/article/cc660229b2ca4dd09848e4c55c3589a5
Publikováno v:
MRS Bulletin. 47:1120-1127
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c540793ef4c0ced7e6c4f69dedc8c36a
https://doi.org/10.1557/s43577-022-00455-7
https://doi.org/10.1557/s43577-022-00455-7