Search Results - "Lebedeva, Irina"

Two Phases with Different Domain Wall Networks and a Reentrant Phase Transition in Bilayer Graphene under Strain by Lebedeva, Irina V, Popov, Andrey M

“…The analytical two-chain Frenkel-Kontorova model is used to describe domain wall networks in bilayer graphene upon biaxial stretching of one of the layers. We…”
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Energetics of atomic scale structure changes in graphene by Skowron, Stephen T, Lebedeva, Irina V, Popov, Andrey M, Bichoutskaia, Elena

“…The presence of defects in graphene has an essential influence on its physical and chemical properties. The formation, behaviour and healing of defects are…”
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Elastic constants of graphene: Comparison of empirical potentials and DFT calculations by Lebedeva, Irina V., Minkin, Alexander S., Popov, Andrey M., Knizhnik, Andrey A.

“…The capacity of popular classical interatomic potentials to describe elastic properties of graphene is tested. The Tersoff potential, Brenner reactive…”
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Healing of a Hole in a Carbon Nanotube under Electron Irradiation in High-Resolution Transmission Electron Microscopy by Lebedeva, Irina V, Popov, Andrey M, Knizhnik, Andrey A

“…Healing of a hole in a carbon nanotube under electron irradiation in high-resolution transmission electron microscopy at room temperature is demonstrated using…”
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Resource-Efficient Multicast URLLC Service in 5G Systems by Krasilov, Artem, Lebedeva, Irina, Yusupov, Ruslan, Khorov, Evgeny

“…Many emerging applications, such as factory automation, electric power distribution, and intelligent transportation systems, require multicast Ultra-Reliable…”
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Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride by Lebedeva, Irina V., Lebedev, Alexander V., Popov, Andrey M., Knizhnik, Andrey A.

“…[Display omitted] •Common vdW-functionals fail for some properties related to interlayer interaction.•PBE-D3(BJ) is the best for ground-state stackings of…”
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Energetics and Structure of Domain Wall Networks in Minimally Twisted Bilayer Graphene under Strain by Lebedeva, Irina V, Popov, Andrey M

“…The parameters of the triangular domain wall network in bilayer graphene with a simultaneously twisted and biaxially stretched bottom layer are studied using…”
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Sensitive and specific fluorescent probes for functional analysis of the three major types of mammalian ABC transporters by Lebedeva, Irina V, Pande, Praveen, Patton, Wayne F

“…An underlying mechanism for multi drug resistance (MDR) is up-regulation of the transmembrane ATP-binding cassette (ABC) transporter proteins. ABC transporters…”
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Robust icephobic coating based on the spiky fluorinated Al2O3 particles by Starostin, Anton, Strelnikov, Vladimir, Valtsifer, Viktor, Lebedeva, Irina, Legchenkova, Irina, Bormashenko, Edward

“…Omniphobic and icephobic twin-scale surfaces based on the “urchin”-like fluorinated Al 2 O 3 particles are presented. Combined effect of hierarchical…”
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Long triple carbon chains formation by heat treatment of graphene nanoribbon: Molecular dynamics study with revised Brenner potential by Sinitsa, Alexander S., Lebedeva, Irina V., Popov, Andrey M., Knizhnik, Andrey A.

“…The method for production of atomic chains by heating of graphene nanoribbons (GNRs) is proposed and studied by molecular dynamics simulations. The Brenner…”
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Molecular Dynamics Study of sp-Defect Migration in Odd Fullerene: Possible Role in Synthesis of Abundant Isomers of Fullerenes by Sinitsa, Alexander S, Lebedeva, Irina V, Polynskaya, Yulia G, Popov, Andrey M, Knizhnik, Andrey A

“…To explain a recent experiment showing the role of odd fullerenes in formation of abundant fullerene isomers a reactive molecular dynamics (MD) study has been…”
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Personalized facial beauty assessment: a meta-learning approach by Lebedeva, Irina, Ying, Fangli, Guo, Yi

“…Automatic facial beauty assessment has recently attracted a growing interest and achieved impressive results. However, despite the obvious subjectivity of…”
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Optimal model of semi-infinite graphene for ab initio calculations of reactions at graphene edges by the example of zigzag edge reconstruction by Polynskaya, Yulia G., Lebedeva, Irina V., Knizhnik, Andrey A., Popov, Andrey M.

“…[Display omitted] •Nanoribbon used to model semi-infinite graphene should consist of at least 6 rows.•Distance between periodic images of defects should exceed…”
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Mesenchymal Chemotaxis Requires Selective Inactivation of Myosin II at the Leading Edge via a Noncanonical PLCγ/PKCα Pathway by Asokan, Sreeja B., Johnson, Heath E., Rahman, Anisur, King, Samantha J., Rotty, Jeremy D., Lebedeva, Irina P., Haugh, Jason M., Bear, James E.

“…Chemotaxis, migration toward soluble chemical cues, is critical for processes such as wound healing and immune surveillance and is exhibited by various cell…”
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Reconstruction of Zigzag Graphene Edges: Energetics, Kinetics, and Residual Defects by Polynskaya, Yulia G., Lebedeva, Irina V., Knizhnik, Andrey A., Popov, Andrey M.

“…Ab initio calculations are performed to study consecutive reconstruction of a zigzag graphene edge. According to the obtained energy profile along the reaction…”
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Structural and functional alterations in different types of delusions across schizophrenia spectrum: A systematic review by Dudina, Anastasiia N., Tomyshev, Alexander S., Ilina, Ekaterina V., Romanov, Dmitriy V., Lebedeva, Irina S.

“…Despite the high clinical role of delusions as a transnosological psychopathological phenomenon, the number of experimental studies on the different types of…”
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Multiscale modeling strategy to solve fullerene formation mystery by Popov, Andrey M., Lebedeva, Irina V., Vyrko, Sergey A., Poklonski, Nikolai A.

“…Since fullerene formation occurs under conditions where direct observation of atomic-scale reactions is not possible, modeling is the only way to reveal…”
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Executive control of language in schizophrenia patients with history of auditory verbal hallucinations: A neuropsychological and resting-state fMRI study by Panikratova, Yana R, Lebedeva, Irina S, Akhutina, Tatiana V, Tikhonov, Denis V, Kaleda, Vasilii G, Vlasova, Roza M

“…As demonstrated by a plethora of studies, compromised executive functions (EF) and language are implicated in mechanisms of auditory verbal hallucinations…”
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Modular implementation of the linear- and cubic-scaling orbital minimization methods in electronic structure codes using atomic orbitals by Lebedeva, Irina V, García, Alberto, Artacho, Emilio, Ordejón, Pablo

“…We present a code modularization approach to design efficient and massively parallel cubic- and linear-scaling solvers for electronic structure calculations…”
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Transformation of Amorphous Carbon Clusters to Fullerenes by Sinitsa, Alexander S, Lebedeva, Irina V, Popov, Andrey M, Knizhnik, Andrey A

“…Transformation of amorphous carbon clusters into fullerenes under high temperature is studied using molecular dynamics simulations at microsecond times. On the…”
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