Search Results - "Glova, Artyom"

Computer Simulations of Deep Eutectic Solvents: Challenges, Solutions, and Perspectives by Tolmachev, Dmitry, Lukasheva, Natalia, Ramazanov, Ruslan, Nazarychev, Victor, Borzdun, Natalia, Volgin, Igor, Andreeva, Maria, Glova, Artyom, Melnikova, Sofia, Dobrovskiy, Alexey, Silber, Steven A, Larin, Sergey, de Souza, Rafael Maglia, Ribeiro, Mauro Carlos Costa, Lyulin, Sergey, Karttunen, Mikko

“…Deep eutectic solvents (DESs) are one of the most rapidly evolving types of solvents, appearing in a broad range of applications, such as nanotechnology,…”
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Toward realistic computer modeling of paraffin-based composite materials: critical assessment of atomic-scale models of paraffins by Glova, Artyom D, Volgin, Igor V, Nazarychev, Victor M, Larin, Sergey V, Lyulin, Sergey V, Gurtovenko, Andrey A

“…Paraffin-based composites represent a promising class of materials with numerous practical applications such as e.g. heat storage. Computer modeling of these…”
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Evaluation of thermal conductivity of organic phase-change materials from equilibrium and non-equilibrium computer simulations: Paraffin as a test case by Nazarychev, Victor M., Glova, Artyom D., Volgin, Igor V., Larin, Sergey V., Lyulin, Alexey V., Lyulin, Sergey V., Gurtovenko, Andrey A.

“…•Computer modeling is used to compute the thermal conductivity of paraffins.•10 force fields, 2 phase states of paraffins and 2 methods are considered.•Only…”
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Cooling-Rate Computer Simulations for the Description of Crystallization of Organic Phase-Change Materials by Nazarychev, Victor M, Glova, Artyom D, Larin, Sergey V, Lyulin, Alexey V, Lyulin, Sergey V, Gurtovenko, Andrey A

“…A molecular-level insight into phase transformations is in great demand for many molecular systems. It can be gained through computer simulations in which…”
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Scale-Dependent Miscibility of Polylactide and Polyhydroxybutyrate: Molecular Dynamics Simulations by Glova, Artyom D, Falkovich, Stanislav G, Dmitrienko, Daniil I, Lyulin, Alexey V, Larin, Sergey V, Nazarychev, Victor M, Karttunen, Mikko, Lyulin, Sergey V

“…Miscibility of polylactide (PLA) and polyhydroxybutyrate (PHB) is studied by the microsecond atomistic molecular dynamics (MD) simulations for the first time…”
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Grafted Dipolar Chains: Dipoles and Restricted Freedom Lead to Unexpected Hairpins by Glova, Artyom D, Larin, Sergey V, Nazarychev, Victor M, Karttunen, Mikko, Lyulin, Sergey V

“…We use atomistic molecular dynamics simulations to investigate the structure of oligohydroxybutyrate (OHB) and oligolactide (OLA) chains grafted onto cellulose…”
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Model Carboxyl-Containing Asphaltenes as Potential Acceptor Materials for Bulk Heterojunction Solar Cells by Borzdun, Natalia I, Ramazanov, Ruslan R, Glova, Artyom D, Larin, Sergey V, Lyulin, Sergey V

“…We put forward chemically modified asphaltenes, polycyclic aromatic byproducts of deep oil refining, for use as novel low-cost acceptor materials for bulk…”
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Influence of Asphaltene Modification on Structure of P3HT/Asphaltene Blends: Molecular Dynamics Simulations by Borzdun, Natalia, Glova, Artyom, Larin, Sergey, Lyulin, Sergey

“…Further development and commercialization of bulk heterojunction (BHJ) solar cells require the search for novel low-cost materials. The present study addresses…”
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Correction: Toward realistic computer modeling of paraffin-based composite materials: critical assessment of atomic-scale models of paraffins by Volgin, Igor V, Glova, Artyom D, Nazarychev, Victor M, Larin, Sergey V, Lyulin, Sergey V, Gurtovenko, Andrey A

“…Correction for 'Toward realistic computer modeling of paraffin-based composite materials: critical assessment of atomic-scale models of paraffins' by Artyom D…”
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Toward Predictive Molecular Dynamics Simulations of Asphaltenes in Toluene and Heptane by Glova, Artyom D, Larin, Sergey V, Nazarychev, Victor M, Kenny, Josè M, Lyulin, Alexey V, Lyulin, Sergey V

“…The conventional definition of asphaltenes is based on their solubility in toluene and their insolubility in heptane. We have utilized this definition to study…”
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Grafting-Induced Structural Ordering of Lactide Chains by Glova, Artyom D, Melnikova, Sofya D, Mercurieva, Anna A, Larin, Sergey V, Lyulin, Sergey V

“…The structure of a grafted layer of lactide chains in the "dry brush" regime immersed in a melt of chemically similar polymer was examined while varying graft…”
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Asphaltenes as novel thermal conductivity enhancers for liquid paraffin: Insight from in silico modeling by Glova, Artyom D., Nazarychev, Victor M., Larin, Sergey V., Lyulin, Alexey V., Lyulin, Sergey V., Gurtovenko, Andrey A.

“…[Display omitted] •Paraffin’s low thermal conductivity limits its use for heat storage.•Computer modeling: asphaltenes enhance thermal conductivity of a liquid…”
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Coarse‐grained A‐graft‐B model of poly(lactic acid) for molecular dynamics simulations by Glagolev, Mikhail, Glova, Artyom, Mezhenskaia, Daria, Falkovich, Stanislav, Larin, Sergey, Vasilevskaya, Valentina, Lyulin, Sergey

“…ABSTRACT A mesoscopic model of poly(lactic acid) is developed where the polymer is represented as an A‐graft‐B chain with monomer units consisting of two…”
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