Zobrazeno 1 - 10
of 3 385
pro vyhledávání: '"embedded atom method"'
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 15, Pp 554-570 (2023)
Being the first part of a two-part series, published in this issue of the journal, this paper combines a brief overview of theoretical and experimental studies, as well as the results of atomistic simulations of surface melting in bulk bodies and nan
Externí odkaz:
https://doaj.org/article/111d1653ac3f408681803503db861fcc
Publikováno v:
Advances in Physics: X, Vol 8, Iss 1 (2023)
ABSTRACTInteratomic potentials approximate the potential energy of atoms as a function of their coordinates. Their main application is the effective simulation of many-atom systems. Here, we review empirical interatomic potentials designed to reprodu
Externí odkaz:
https://doaj.org/article/ba24824c464f4ef2a06970a3e1eebd10
Publikováno v:
Journal of Materials Research and Technology, Vol 24, Iss , Pp 4454-4467 (2023)
The physics-informed expression of interatomic potentials is critical to driving accurate molecular dynamics (MD) simulations while most alloy potentials neglect the electrostatic effects explicitly despite the existence of local charge non-neutralit
Externí odkaz:
https://doaj.org/article/ade729ac91614dc08eb4d92557e7141c
Autor:
I.V. Talyzin, V.M. Samsonov, S.S. Bogdanov, N.Yu.. Sdobnyakov, R.E. Grigoryev, A.V. Pervikov, I.V. Mishakov
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 14, Pp 307-320 (2022)
The paper is devoted to the substantiation and further development of the approach to the analysis of the mesoscopic and integral structure of binary metal nanoparticles from the radial distributions of the local density of the components. As an exam
Externí odkaz:
https://doaj.org/article/448260433dec4d138020bb17567d5a0d
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 14, Pp 362-370 (2022)
A comparative molecular dynamics simulation of the gas-phase synthesis of Ag nanoparticles is carried out employing two different types of many-particle potentials of the interatomic interaction: a potential corresponding to the embedded atom method
Externí odkaz:
https://doaj.org/article/ab3712ad436946bc9c3b8165ed4d08d6
Akademický článek
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Publikováno v:
Journal of Materials Research and Technology, Vol 19, Iss , Pp 1102-1110 (2022)
A semi-empirical potential in line with the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism has been improved for the Fe–Co interactions intended to reproduce the different thermal phases stability. Fundamental structural
Externí odkaz:
https://doaj.org/article/10e93822c93d49b2a6679cbf6f665d81
Publikováno v:
Nihon Kikai Gakkai ronbunshu, Vol 89, Iss 917, Pp 22-00299-22-00299 (2023)
Molecular dynamics simulations are implemented on the interaction between mode I crack in Fe single crystal and cylindrical Ni/Co/Zr/Mo obstacles, substituting Fe atoms with those elements in a periodic slab cell. The crack penetrates the Ni and Co o
Externí odkaz:
https://doaj.org/article/32555d0fe7c94ccd96be9691ed6c0f91
Akademický článek
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Autor:
Vladimir Samsonov, Alexander Romanov, Igor Talyzin, Alexander Lutsay, Dmitriy Zhigunov, Vladimir Puytov
Publikováno v:
Metals, Vol 13, Iss 7, p 1269 (2023)
Up till now, there have been extremely contradictory opinions and inadequate results concerning surface segregation in binary platinum–palladium (Pt–Pd) nanoparticles, including the problems regarding segregating components, as well as the size a
Externí odkaz:
https://doaj.org/article/33eab44a3f734b5bb1285fa8331f1091