Zobrazeno 1 - 10
of 20
pro vyhledávání: '"S. S. Akimenko"'
Publikováno v:
The Journal of Physical Chemistry C. 124:22447-22458
This study presents a method of external fields to determine thermodynamic characteristics of rigid crystalline phases in the framework of a kinetic Monte Carlo algorithm. The method is based on mo...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::250394584c766d4faaf01a144db4cff1
https://doi.org/10.1021/acs.jpcc.0c05308
https://doi.org/10.1021/acs.jpcc.0c05308
Autor:
S. S. Akimenko, A. V. Myshlyavtsev, M. D. Myshlyavtseva, V. A. Gorbunov, S. O. Podgornyi, O. S. Solovyeva
Publikováno v:
Physical review. E. 105(4-1)
A series of models for reversible filling of a triangular lattice with equilateral triangles has been developed and investigated. There are eight distinct models that vary in the set of prohibitions. In zeroth approximation, these models allow one to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a5eaf860b08ddbe00212bbba6254ad36
https://pubmed.ncbi.nlm.nih.gov/35590604
https://pubmed.ncbi.nlm.nih.gov/35590604
Publikováno v:
Adsorption. 25:555-565
In this paper, we report a simulation study of the effect of the herringbone orientational phase transition on the isosteric heat of adsorption and the heat capacity of the nitrogen adsorption monolayer on graphite surface. We use the previously prop
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45e8d6eb88fdbf96c1f5c66f4927aa80
https://doi.org/10.1007/s10450-019-00045-1
https://doi.org/10.1007/s10450-019-00045-1
Autor:
M.D. Myshlyavtseva, Vitaliy A. Gorbunov, P. V. Stishenko, Anastasiya I. Fadeeva, A. V. Myshlyavtsev, V. F. Fefelov, Galina D. Anisimova, S. S. Akimenko, Tatyana R. Kayumova
Publikováno v:
Journal of computational chemistryREFERENCES. 41(23)
We present to the scientific community the Surface Science Modeling and Simulation Toolkit (SuSMoST), which includes a number of utilities and implementations of statistical physics algorithms and models. With SuSMoST it is possible to predict or exp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::805fbff3635a2404c683d90e3e8fb11c
https://pubmed.ncbi.nlm.nih.gov/32619046
https://pubmed.ncbi.nlm.nih.gov/32619046
Publikováno v:
The Journal of Physical Chemistry C. 122:2897-2908
Orientational ordering is a well-known feature of polyatomic molecules in contact layers on solid surfaces. The majority of reported results refer to systems significantly depended on specific fluid–substrate interaction. An example is the nitrogen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::84bc88b59b7e7b215ea7b7045109b934
https://doi.org/10.1021/acs.jpcc.7b12300
https://doi.org/10.1021/acs.jpcc.7b12300
Publikováno v:
Journal of Magnetism and Magnetic Materials. 530:167929
A study of mixed spin-1/2 and spin-1 Ising model on “folded” square lattice model was carried out using the previously proposed general approach for renormalization group transformations. Considering the symmetries of the model, the study was div
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d658d6cab64ccdab54d5dd40755db6a9
https://doi.org/10.1016/j.jmmm.2021.167929
https://doi.org/10.1016/j.jmmm.2021.167929
Autor:
M.D. Myshlyavtseva, Myshlyavtsev Myshlyavtsev, V. A. Gorbunov, P. V. Stishenko, Galina D. Anisimova, Vasilii Fefelov, Tatiana Kayumova, S. S. Akimenko, Anastasiia I. Fadeeva
We offer the scientific community the Surface Science Modelling and Simulation Toolkit (SuSMoST), which includes a number of utilities and implementations of statistical physics algorithms and models. With SuSMoST one is able to predict or explain th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::da20a010af1ab672036576c2b1d5728f
https://doi.org/10.26434/chemrxiv.8068307.v1
https://doi.org/10.26434/chemrxiv.8068307.v1
Publikováno v:
Physical review. E. 100(2-1)
High accuracy and performance of the tensor renormalization group (TRG) method have been demonstrated for the model of hard disks on a triangular lattice. We considered a sequence of models with disk diameter ranging from a to 2sqrt[3]a, where a is t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0dc7a62d4f389678be361d1e042ad624
https://pubmed.ncbi.nlm.nih.gov/31574597
https://pubmed.ncbi.nlm.nih.gov/31574597
Publikováno v:
Applied Surface Science. 545:148989
In this theoretical work, we study the influence of the concentration and type of randomly distributed point defects on crystalline solid surfaces on the possibility of self-assembly and thermal stability of surface confined metal-organic networks (S
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7e0e8b454b3d815274cb8ec424765860
https://doi.org/10.1016/j.apsusc.2021.148989
https://doi.org/10.1016/j.apsusc.2021.148989
Autor:
N. S. Mitryaeva, S. S. Akimenko
Publikováno v:
Procedia Engineering. 152:689-693
In this paper the influence of multi-walled carbon nanotubes (MWCNTs) (the average outside diameter of 8 nm) in carbon black mixture (industrial carbon black N330) on the technological, physicomechanical, gasbarrier properties and visco-elastic behav
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c28327a082d436f7faba27ed29b9b2cf
https://doi.org/10.1016/j.proeng.2016.07.674
https://doi.org/10.1016/j.proeng.2016.07.674