Search Results - "Sukhomlinov, Sergey V"

Interatomic potentials: achievements and challenges by Müser, Martin H., Sukhomlinov, Sergey V., Pastewka, Lars

“…Interatomic potentials approximate the potential energy of atoms as a function of their coordinates. Their main application is the effective simulation of…”
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Stress Anisotropy Severely Affects Zinc Phosphate Network Formation by Sukhomlinov, Sergey V., Müser, Martin H.

“…Using density-functional theory based simulations, we study how initially disconnected zinc phosphate molecules respond to different externally imposed…”
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Faradaic Quantized Capacitance as an Ideal Pseudocapacitive Mechanism by Foong, Yee Wei, Hossain, Md Sazzad, Sukhomlinov, Sergey V, Bevan, Kirk H

“…In this work, we provide a theoretical analysis of quantized capacitance (also referred to as solvated Coulomb blockade) as a pseudocapacitive energy storage…”
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Mechanochemical Ionization: Differentiating Pressure-, Shear-, and Temperature-Induced Reactions in a Model Phosphate by Sukhomlinov, Sergey V., Kickelbick, Guido, Müser, Martin H.

“…Using density-functional theory-based molecular dynamics simulations, we study stress and temperature-induced chemical reactions in bulk systems containing…”
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Computation of Charge Distribution and Electrostatic Potential in Silicates with the Use of Chemical Potential Equalization Models by Verstraelen, Toon, Sukhomlinov, Sergey V, Van Speybroeck, Veronique, Waroquier, Michel, Smirnov, Konstantin S

“…New parameters for the electronegativity equalization model (EEM) and the split-charge equilibration (SQE) model are calibrated for silicate materials, based…”
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Anomalous system-size dependence of properties at the fragile-to-strong transition in a bulk-metallic-glass forming melt by Sukhomlinov, Sergey V., Müser, Martin H.

“…•The fragile-to-strong transition (FST) of a bulk metallic glass former is simulated.•Experimentally observed features are reproduced.•The FST is sharper for…”
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Vibrational spectrum of reidite ZrSiO4 from first principles by Smirnov, M., Sukhomlinov, S., Smirnov, K.S.

“…Structure, energetic characteristics, and the vibrational spectrum of reidite (ZrSiO4 polymorph isostructural with sheelite) were studied by periodic…”
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Cold self-lubrication of sliding ice by Atila, Achraf, Sukhomlinov, Sergey V, Müser, Martin H

“…The low kinetic friction between ice and numerous counterbodies is commonly attributed to an interfacial water layer, which is believed to originate from…”
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Brittleness of metallic glasses dictated by their state at the fragile-to-strong transition temperature by Atila, Achraf, Sukhomlinov, Sergey V, Honecker, Marc J, Müser, Martin H

“…The effect of cooling on the brittleness of glasses in general, and bulk metallic glasses (BMGs) in particular, is usually studied with continuously varying…”
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Interatomic potentials: Achievements and challenges by Muser, Martin H, Sukhomlinov, Sergey V, Pastewka, Lars

“…Advances in Physics: X, 8, 2093129 (2023) Interatomic potentials approximate the potential energy of atoms as a function of their coordinates. Their main…”
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Vibrational spectrum of reidite ZrSiO 4 from first principles by Smirnov, Mikhail B., Sukhomlinov, Sergey V., Smirnov, Konstantin S.

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