?
Calculation of viscosities of branched alkanes from 0.1 to 1000 MPa by molecular dynamics methods using COMPASS force field
Fluid Phase Equilibria. 2019. Vol. 498. P. 151–159.
Shear viscosity is one of the key subjects of molecular modeling studies since this quality is used in the development of lubricants. In this paper, we use molecular dynamics methods to predict viscosity dependence on pressure up to 1000 MPa for 2,2,4-trimethylhexane. The COMPASS class II force field is used to determine atomic interactions in the model. The shear viscosity is calculated using Green-Kubo and Müller-Plathe methods. To achieve the convergence of the Green-Kubo integral, the time decomposition method is used. The approach is validated by 2,2,4-trimethylpentane for which experimental data are available. The calculated 2,2,4-trimethylhexane viscosity coefficient dependence is fit by Tait-like equation and does not show super-Arrhenius behavior. The Tait fit matches the experiment produced by Scott Bair for the pressures up to 500 MPa within the accuracy of the methods.
Priority areas:
IT and mathematics
Language:
English
Publication based on the results of:
Pilé I., Shchur L., Deng Y., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 Article 014101
We investigate the spatial overlap of successive spin configurations in Markov chain Monte Carlo simulations using the local Metropolis algorithm and the Swendsen-Wang and Wolff cluster algorithms. We examine the dynamics of these algorithms for models in different universality classes: Ising model, Potts model with three components, and four-state Potts model. The overlap of two ...
Added: July 6, 2026
М.: Наука и технологии, 2026.
«Телекоммуникации» ежемесячный рецензируемый производственный, информационно-аналитический и учебно-методический журнал выходит в свет с июля 2000 г.
Для руководителей и работников промышленности, научно-исследовательских и проектно-конструкторских институтов, высших учебных заведений, аспирантов и студентов, а также для специалистов, разрабатывающих, выпускающих и эксплуатирующих средства телекоммуникаций.
Новости разработок и производства, прогнозы развития, защита информации, Нормативные, справочные, аналитические и учебно-методические материалы.
Переход к глобальному информационному ...
Added: July 4, 2026
МФТИ, 2025.
абота редакции научного журнала «Труды Московского физико-технического института» (кратко «Труды МФТИ»), редакционной коллегии и редакционного совета осуществляется в соответствии с Положением, утвержденным ректором института. В состав редакционной коллегии входят руководители института, факультетов, институтских и факультетских кафедр. Главный редактор журнала —президент МФТИ, член-корр. РАН Кудрявцев Н.Н.
Журнал «Труды МФТИ» входит в базу данных РИНЦ (Российский Индекс Научного Цитирования) и доступен в электронной ...
Added: July 4, 2026
Hualin M., Jie Z., Jerome Y. et al., Journal of Internet Technology 2026 Vol. 27 No. 3 P. 367–382
In open, interference-prone scenarios, the scarcity of precisely annotated signal samples limits the application of deep learning–based modulation identification, which generally relies on extensive labeled data for stability. Relation Networks, as an emerging class of deep learning models, exhibit rapid convergence in few-shot learning tasks. Motivated by the fast convergence property of relation-based learning and ...
Added: July 3, 2026
Osipov D., Информационно-управляющие системы 2026 № 3 С. 49–62
Introduction: In many communication systems under construction and those to be created power control and channel estimation techniques developed for the previous generation communication systems fail to provide desired precision. One way to solve this problem is to use order-statistics-based reception techniques that do not need channel estimation or power control. To ensure the desired ...
Added: July 3, 2026
Bobkov G. A., Bobkov G. A., Bobkova I. V. et al., Journal of Superconductivity and Novel Magnetism 2025 Vol. 38 Article 239
In recent years, a number of studies have predicted the emergence of a nontrivial proximity effect in superconductor/antiferromagnet (S/AF) heterostructures. This effect is of considerable interest for the efficient integration of antiferromagnetic materials into the fields of superconducting spintronics and electronics. A key element of this proximity effect is the Néel triplet correlations, initially predicted ...
Added: July 2, 2026
Bakurskiy S. V., Skryabina O. V., Ruzhickiy V. I. et al., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 113 P. 134509-1–134509-10
The miniaturization of superconducting electronics demands precise control over quasiparticle dynamics at the nanoscale. Understanding and controlling quasiparticle dynamics is essential for advancing superconducting electronics, particularly as device dimensions approach the nanoscale. Here we present direct experimental evidence for the quasiparticle-to-supercurrent conversion in planar SN-N-NS Josephson nanobridges with submicron electrodes. By employing a versatile measurement ...
Added: July 2, 2026
Polevoy K. B., Bakurskiy S. V., Ruzhickiy V. I. et al., Physical Review Applied 2026 Vol. 25 P. 024030-1–024030-12
We present a comprehensive study of planar Nb-Al-Nb Josephson junctions with submicrometer dimen sions (L ≈ 100 nm, active area of approximately 5 × 104 nm2), where the intrinsic superconductivity of the aluminum weak link plays a crucial role in enhancing device performance. Through a combi nation of theoretical modeling and experimental characterization, we demonstrate ...
Added: July 2, 2026
Springer, 2026.
This book presents established and new research on the close connections between graph games and systems of logic, particularly existing and newly designed modal logics. The volume utilizes two graph games – the sabotage game and the hide-and-seek game – to demonstrate the natural interplay between designing new graph games and exploring new kinds of ...
Added: June 30, 2026
Netherlands: ScienceDirect, 2025.
No ...
Added: June 28, 2026
Seidel A., Weske M., Montali M. et al., Information Systems 2026 Vol. 141 Article 102728
Business process management employs process models and event logs to represent the behavior of the information systems under study. Traditional case-centric notions consider the order of activities and events in isolated process instances. The emerging field of object-centric processes challenges this assumption by putting objects in the center. Object-centric process mining and modeling approaches identify ...
Added: June 27, 2026
IEEE, 2024.
A.S. Popov Russian Science and Technical Society with support from V. A. Trapeznikov Institute of Control Sciences, V.A. Kotelnikov Institute of Radio Engineering and Electronics, Autex Ltd. is leading the ХХVIII International Conference «Digital Signal Processing and its Applications — DSPA-2024» ...
Added: June 27, 2026
Ivchenko A., Дворкович А. В., Телекоммуникации 2020 Т. 12 С. 2–11
Dynamic Adaptive Streaming over HTTP (DASH) technology powers most multimedia services. Its specific features (re-buffering, quality switching, etc.) necessitate the development of specialized methods for assessing user subjective quality of experience (QoE) based on objective parameters. This article examines the impact of various metrics on QoE and presents assessment models with Spearman correlation coefficients up ...
Added: June 27, 2026
Gadzhimirzaev S., Хельвас А. В., 2023 3rd International Conference on Innovative Research in Applied Science, Engineering and Technology (IRASET) Mohammedia, Morocco 2023 P. 1–6
The article proposes the architecture for eventdriven Emergency Operation Center with Machine Vision Component. Sources of information are analyzed and approaches to machine vision events for tactical situations detection and estimation are discussed. Messages from Machine Vision Components are converted to Common Alerting Protocol and processed by Operation Center environment for tactical situations recognition. ...
Added: June 26, 2026
Gadzhimirzaev S., Хельвас А. В., Компьютерные исследования и моделирование 2022 Т. 14 № 6 С. 1255–1268
This work contains a description of the results of modeling the process of maintaining the readiness of a section of the road network under strikes of with specified parameters. A one-dimensional section of road up to 40 km long with a total number of strikes up to 100 during the work of the brigade is ...
Added: June 26, 2026
Gadzhimirzaev S., Хельвас А. В., Лукьянченко П. П., Computer Research and Modeling 2023 Vol. 15 No. 1 P. 129–140
In this article we propose a new approach to the analysis of econometric industry parameters for the industry consolidation level. The research is based on the simple industry automatic control model. The state of the industry is measured by quarterly obtained econometric parameters from each industry’s company provided by the tax control regulator. An approach ...
Added: June 26, 2026
Gadzhimirzaev S., Хельвас А. В., International Frequency Sensor Association (IFSA) Publishing, 19-21 February 2025 Granada, Spain 2025 P. 172–176
The paper presents models for an innovative fully robotic warehouse for storing boxed goods. A discrete multiagent simulation of the movement of shuttles in a warehouse for a given sequence of pallet shipments has been implemented. Different strategies for placement of boxes in various areas of a warehouse are evaluated, as well as optimal routing ...
Added: June 26, 2026
Medvedev M., Journal of Chemical Theory and Computation 2026 Vol. 22 No. 9
Density functional theory (DFT) is the workhorse of modern reactions and materials modeling. While the exact functional remains unknown, many approximations to it have been constructed either by hand-crafting functional forms to satisfy exact constraints or by machine learning. In this work, we show how both of these approaches can be fused to build both ...
Added: June 26, 2026
Никонов В. Д., Никитин С. С., Патракеев М. В., Ionics 2025 Vol. 31 No. 1 P. 675–687
Modification of perovskite-type oxides is an effective way to develop functional materials with advanced properties. The effects of cerium introduction into the A sublattice of La0.5Sr0.5FeO3−δ and variation of La:Sr ratio on the defect structure and charge transfer characteristics were studied in this work. The LaxSr0.85−xCe0.15FeO3−δ oxides were found to be single-phase with cubic (x = 0.1) and orthorhombic ...
Added: June 26, 2026
Piontkovski D., / Series arXiv "math". 2026.
A noncommutative projective variety is defined, following Artin and Zhang, by a graded coherent algebra 𝐴. The category of coherent sheaves is then the quotient qgr(𝐴) of the category of finitely presented graded modules by the subcategory of torsion modules. We consider the categorical and polynomial entropies of the Serre twist, that is, of the ...
Added: June 23, 2026
Piontkovski D., / Series arXiv "math". 2025.
If a symmetric multilinear algebra is weakly nil, then it is Engel. This result may be regarded as an infinite-dimensional analogue of the well-known Jacobian theorem, which states that if a polynomial mapping has a polynomial inverse, then its Jacobian matrix is invertible. This refines a theorem of Gerstenhaber and partially answers a question posed ...
Added: June 23, 2026
Shipilov F., Barnyakov A., Ivanov A. et al., / Series Physics "arxiv.org". 2026.
A fast simulation of the detector response is a vital task in high-energy physics (HEP). Traditional Monte-Carlo methods form the backbone of modern particle physics simulation software but are computationally expensive. We present a machine-learning-based approach to fast simulation of the Focusing Aerogel Ring Imaging Cherenkov (FARICH) detector response. Given a particle track and momentum, ...
Added: May 19, 2026
Khnkoian G., Galigerov V., Grishichkin Y. et al., , in: Parallel Computational Technologies, 19th International Conference, PCT 2025, Moscow, Russia, April 8–10, 2025, Revised Selected Papers. (CCIS, volume 2891)Vol. 2891.: Springer, 2026. P. 532–545.
This work presents atomic-scale modeling of the perturbed flow of a Lennard-Jones fluid in a quasi-two-dimensional system containing one billion atoms. A statistically stationary flow regime corresponding to a Reynolds number of Re ≈ 1000 has been achieved, the flow structure has been analyzed, and the energy spectrum of velocities has been calculated. The results ...
Added: May 19, 2026
Derkacheva A., Sakirkina M., Kraev G. et al., /. 2026.
Comprehensive data on natural hazards and their consequences are crucial for effective for risk assessment, adaptation planning, and emergency response. However, many countries face challenges with fragmented, inconsistent, and inaccessible data, particularly regarding local-scale events. To address this data gap in Russia, we developed an end-to-end processing pipeline that scrapes news from various online sources, ...
Added: April 28, 2026