Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Grigory A., Smirnov"'
Publikováno v:
Metals, Vol 13, Iss 6, p 1096 (2023)
Iron is the major element of the Earth’s core and the cores of Earth-like exoplanets. The crystal structure of iron, the major component of the Earth’s solid inner core (IC), is unknown under the high pressures (P) (3.3–3.6 Mbar) and temperatur
Externí odkaz:
https://doaj.org/article/9755310655fb41548a195e3c7496bdd0
Publikováno v:
ХХI век: Техносферная безопасность, Vol 3 (2019)
Externí odkaz:
https://doaj.org/article/d8c06cd04865448d9fa5285b845fc7a0
Publikováno v:
Physical Review B. 104
The crystal structure of iron, the major component of the Earth's inner core (IC), is unknown under the IC high pressure (P) (3.3--3.6 Mbar) and temperature (T) (5000--7000 K). Experimental and theoretical data on the phase diagram of iron at these e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95b2628e5e0aaef70da9dfafaf466715
https://doi.org/10.1103/physrevb.104.104103
https://doi.org/10.1103/physrevb.104.104103
Autor:
Ekaterina Dlinnova, Dmitry Makagon, Nikolay Kondratyuk, Mikhail Khalilov, Grigory S. Smirnov, Vladimir V. Stegailov, Alexei Simonov, Alexander Semenov, A. V. Timofeev, Timur Z. Ismagilov
Publikováno v:
The International Journal of High Performance Computing Applications. 33:507-521
In this article, we describe the Desmos supercomputer that consists of 32 hybrid nodes connected by a low-latency high-bandwidth Angara interconnect with torus topology. This supercomputer is aimed at cost-effective classical molecular dynamics calcu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e348b839e21f8325694b3c1a0caab24e
https://doi.org/10.1177/1094342019826667
https://doi.org/10.1177/1094342019826667
Autor:
Grigory S. Smirnov
Publikováno v:
Physical Review B. 102
Anomalous diffusion in some bcc metals is the long-standing topic in material science. In this work, I obtain the temperature dependence of the self-diffusion coefficient in bcc titanium directly from molecular dynamics (MD) calculation. MD simulatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::57613697b96f058bfb48577874e2deb6
https://doi.org/10.1103/physrevb.102.184110
https://doi.org/10.1103/physrevb.102.184110
Publikováno v:
Lobachevskii Journal of Mathematics. 38:974-977
The density functional theory (DFT) is a research tool of the highest importance for electronic structure calculations. It is often the only affordable method for ab initio calculations of complex materials. The pseudopotential approach allows reduci
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::23316d06cd5cd6425282a04b01cdb0c7
https://doi.org/10.1134/s199508021705033x
https://doi.org/10.1134/s199508021705033x
Publikováno v:
ХХI век: Техносферная безопасность, Vol 3 (2019)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8b5822a4acd29c2e49ec1de4d790dad
https://doaj.org/article/d8c06cd04865448d9fa5285b845fc7a0
https://doaj.org/article/d8c06cd04865448d9fa5285b845fc7a0
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 31(23)
[Formula: see text]-U is a high temperature body-centred cubic (bcc) phase of uranium which is mechanically unstable at T = 0 K. The point defect properties in pure bcc uranium are not sufficiently well studied. In this work we use classical molecula
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f1a6ec1510f06cba7d5d2412849506bf
https://pubmed.ncbi.nlm.nih.gov/30849770
https://pubmed.ncbi.nlm.nih.gov/30849770
Publikováno v:
Mathematical Models and Computer Simulations. 8:734-743
High performance computing hardware is developed faster than the algorithms for fundamental mathematical models such as classical molecular dynamics are adapted. A wide variety of choice makes it necessary to determine clear criteria based on the com
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::96a445f7dac640ef905f46a116d30204
https://doi.org/10.1134/s2070048216060156
https://doi.org/10.1134/s2070048216060156
Publikováno v:
Concurrency and Computation: Practice and Experience. 31
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2420d0ef36fda1ad92260b2aa6379c42
https://doi.org/10.1002/cpe.5136
https://doi.org/10.1002/cpe.5136