Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Sergey V. Sukhomlinov"'
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:
The Journal of Physical Chemistry C. 125:4343-4354
In this work, we provide a theoretical analysis of quantized capacitance (also referred to as solvated Coulomb blockade) as a pseudocapacitive energy storage mechanism. In particular, we examine ho...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1cb2cd438c8b2ce290eae9dee2f8331a
https://doi.org/10.1021/acs.jpcc.0c07862
https://doi.org/10.1021/acs.jpcc.0c07862
Interatomic 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 reproduce elast
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ca49341014568365012d8140f897f42
http://arxiv.org/abs/2204.09563
http://arxiv.org/abs/2204.09563
Autor:
Sergey V. Sukhomlinov, Martin H. Müser
Abstract Using density-functional theory based simulations, we study how initially disconnected zinc phosphate molecules respond to different externally imposed deformations. Hybridization changes are observed in all cases, in which the coordination
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2096707a7928dc2a1afd33d7cf3ee28
Abstract Using density-functional theory-based molecular dynamics simulations, we study stress and temperature-induced chemical reactions in bulk systems containing triphosphoric acid and zinc phosphate molecules. The nature of the products depends s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::470ecec0ff05f65c53ce924259201cf4
Autor:
Martin H. Müser, Sergey V. Sukhomlinov
Publikováno v:
Computational Materials Science. 156:129-134
As many other glass formers do, bulk-metallic-glass (BMG) forming melts undergo a fragile-to-strong transition (FST), which is accompanied by a small but noticeable peak in the specific heat c p . Because of this peak, the FST is sometimes interprete
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::99d62448f76ff7eed70f562f2aac7cc7
https://doi.org/10.1016/j.commatsci.2018.09.047
https://doi.org/10.1016/j.commatsci.2018.09.047
Autor:
Sergey V. Sukhomlinov, Martin H. Müser
Publikováno v:
Applied Surface Science Advances, Vol 6, Iss, Pp 100182-(2021)
The viscous dissipation between rigid, randomly rough indenters and linearly elastic counter bodies sliding past them is investigated using Green's function molecular dynamics. The study encompasses a variety of models differing in the height spectra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2e8972f704548f6626316b5b72fdc91d
Autor:
Sergey V. Sukhomlinov, Martin H. Müser
Publikováno v:
The Journal of chemical physics. 152(4)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f62b186b1151df6cd8dae1134e1d2b4
https://pubmed.ncbi.nlm.nih.gov/28088141
https://pubmed.ncbi.nlm.nih.gov/28088141
Autor:
Martin H. Müser, Sergey V. Sukhomlinov
Publikováno v:
The Journal of Chemical Physics. 152:194502
A mixed radial, angular three-body distribution function g3(rBC, θABC) is introduced, which allows the local atomic order to be more easily characterized in a single graph than with conventional correlation functions. It can be defined to be proport
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ac1803bfff05c466ec5e360e2d742071
https://doi.org/10.1063/5.0007964
https://doi.org/10.1063/5.0007964
Autor:
Sergey V. Sukhomlinov, Martin H. Müser
Publikováno v:
Physical Review Materials. 2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::96b07a55f6eac71bda2ffc9409b57d02
https://doi.org/10.1103/physrevmaterials.2.115604
https://doi.org/10.1103/physrevmaterials.2.115604