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Reactive molecular-dynamics study of onion-like carbon nanoparticle formation
Diamond and Related Materials. 2019. Vol. 94. P. 14–20.
Formation of carbon nanoparticles is an important type of complex non-equilibrium processes that require precise atomistic theoretical understanding. In this work, we consider the process of ultrafast cooling of pure carbon gas that results in nucleation of an onion-like fullerene. The model is based on molecular dynamics simulation with the interaction between carbon atoms described via a reactive ReaxFF model. We study the consecutive stages of fullerene-like nanoparticle formation and identify the corresponding temperature ranges. Analysis of hybridization and graphitization reveals the underlying microscopic mechanisms connected with rearrangements of dihedral angles and density changes.
Language:
English
Borovitskaya I. V., Pimenov V. N., Korshunov S. N. et al., Physics of Atomic Nuclei 2026 Vol. 89 No. 1 P. S48–S55
The effect of high-power pulsed laser radiation (LR) generated in the GOS 1001 setup in the
Q-modulated mode (with a flux power density q equal to 1 × 1014 W/m2, pulse duration t = 50 ns, and the
number of pulses N from 1 to 8 in vacuum) on the structure and microhardness of the surface of ...
Added: July 22, 2026
Korogod D., Shapeev A., Novikov I., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 No. 2 Article 024104
We present two models with explicit long-range electrostatics in the form of Coulomb interactions. Both models include point charges depending on their local atomic environments, and the second model also conserves a total charge of an atomic system. We combine the proposed long-range models with the local moment tensor potential (MTP) and demonstrate that they ...
Added: July 22, 2026
Sozykin K., Rybin N., Chertkov A. et al., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 113 No. 22 Article 224111
The global optimization of atomic clusters represents a fundamental challenge in computational chemistry and materials science due to the exponential growth of local minima with system size (i.e., the curse of dimensionality). We introduce a framework that overcomes this limitation by exploiting the low-rank structure of potential energy surfaces through tensor train (TT) decomposition. Our ...
Added: July 22, 2026
Loubenets E. R., / Series arxiv.org "quant-ph". 2026. No. 2607.18050.
In many quantum applications it is important to know whether or not a Bell nonlocal two-qudit state exhibits its nonlocality under correlation scenarios with some given numbers S1,S2≥1 of generalized quantum measurements at two sites. In the present article, we find analytically a new general locality condition sufficient for a nonseparable Werner state with a ...
Added: July 21, 2026
Parfenyev V., Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2026 Vol. 114 P. 1–11
Zermelo's navigation problem seeks the trajectory of minimal travel time between two points in a fluid flow. We address this problem for an agent -- such as a floating drone or active particle -- that is advected by a two-dimensional flow, self-propels at a fixed speed smaller than or comparable to the characteristic flow velocity, ...
Added: July 17, 2026
Михайлов И. А., Machine Learning and Knowledge Extraction 2026 Vol. 8 No. 1 Article 8
Whole-slide histology images (WSIs) can exceed 100 k × 100 k pixels, making direct pixel-level segmentation infeasible and requiring patch-level classification as a practical alternative for downstream WSI segmentation. However, most approaches either treat patches independently, ignoring spatial and biological context, or rely on deep graph models prone to oversmoothing and loss of local tissue ...
Added: July 16, 2026
Kuninets A., Malygina E., Leevik A. G. et al., Journal of Computer Virology and Hacking Techniques 2026 No. 22 Article 62
In this work, we investigate the application of Barnes–Wall lattices in post-quantum cryptographic schemes. We survey and analyze several constructions of Barnes–Wall lattices, including subgroup chains, the generalized k-ing construction, and connections with Reed-Muller codes, highlighting their equivalence over both Z[i] and Z. Building on these structural insights, we introduce a new algorithm for efficient ...
Added: July 16, 2026
Prokofev V., Zabrodin A., Proceedings of the Steklov Institute of Mathematics 2020 Vol. 309 P. 225–239
We consider solutions of the matrix Kadomtsev-Petviashvili (KP) hierarchy that are trigonometric functions of the first hierarchical time t1 = x and establish the correspondence with the spin generalization of the trigonometric Calogero-Moser system at the level of hierarchies. Namely, the evolution of poles xi and matrix residues at the poles aαibβi of the solutions with respect to the kth hierarchical time of the ...
Added: July 14, 2026
Prokofev V., Zabrodin A., Theoretical and Mathematical Physics 2021 Vol. 208 P. 1093–115
We consider solutions of the 2D Toda lattice hierarchy which are elliptic functions of the zeroth time t_0=x. It is known that their poles as functions of t_1 move as particles of the elliptic Ruijsenaars-Schneider model. The goal of this paper is to extend this correspondence to the level of hierarchies. We show that the ...
Added: July 14, 2026
Silakov D., Системный администратор 2026 № 5 С. 46–51
В предыдущей статье про Open Source в КНР [1] мы рассказали про Alibaba – крупную корпорацию, занимающую тридцатое место в рейтинге самых значимых мировых брэндов за 2025 год [2]. Место почетное, но не первое среди китайских компаний – на тринадцатом месте расположилась Tencent, разработчик WeChat и ряда других продуктов, широко используемых нашими восточными соседями. Tencent ...
Added: July 14, 2026
IEEE, 2026.
Added: July 13, 2026
Switzerland: Springer, 2026.
This volume contains the refereed proceedings of the 25th International Conference on Mathematical Optimization Theory and Operations Research (MOTOR 2026) 1 held during July 6–11 in a picturesque place near Lake Baikal, Irkutsk, Russia. The MOTOR conference is a direct successor and scientific inheritor of several prominent events on mathematical programming, combinatorial and stochastic optimization, ...
Added: July 12, 2026
Petrukhin N. S., Ruderman M. S., Monthly Notices of the Royal Astronomical Society 2026 Vol. 549 No. 4 P. 1–13
For the first time we study kink oscillations of braided coronal magnetic loops. We use the simplest model of a braided loop that consists just of two identical curved magnetic tubes. It is assumed that the plasma density is constant inside the tubes, and also in the surrounding plasma. To describe the kink oscillations we ...
Added: July 12, 2026
Шиманогов И. Н., Vyalyi M., Дискретный анализ и исследование операций 2025 Т. 32 № 4(166) С. 213–230
A well-studied class of algorithmic problems is that of regular realizability: checking the non-emptiness of the intersection of a regular language with a given language. This problem has a natural algebraic interpretation: verifying whether an element of a Boolean algebra belongs to the kernel of a certain homomorphism. This motivates the consideration of an analogous ...
Added: July 12, 2026
Surkov A., Ignatenko V., Koltcov Sergei, Computers, Materials and Continua 2026
Large language models have recently demonstrated promising capabilities in mathematical reasoning; however, their performance on tasks requiring strict symbolic manipulation, such as solving differential equations, remains limited, especially for compact models. In this work, we investigate whether activation steering combined with reinforcement learning can improve the quality of solutions generated by pretrained language models without ...
Added: July 8, 2026
Springer, 2027.
The series Lecture Notes in Computer Science (LNCS), including its subseries Lecture Notes in Artificial Intelligence (LNAI) and Lecture Notes in Bioinformatics (LNBI), has established itself as a medium for the publication of new developments in computer science and information technology research, teaching, and education. LNCS enjoys close cooperation with the computer science R & ...
Added: July 8, 2026
V.I. Voitovich, I.S. Makhov, Andryushkin V. V. et al., Journal of Luminescence 2026 Vol. 295 Article 121936
We report on a comparative study of the optical and structural properties of short-period superlattices (SPSLs) based on digital ternary InGaAs/InAlAs alloys and their counterparts with quaternary InGaAlAs barriers, both grown on InP substrates and emitting in the 1.3 μm wavelength range. The heterostructures were grown by molecular beam epitaxy and analyzed using photoluminescence spectroscopy ...
Added: July 8, 2026
Babichev A., Bobrov M., Vasil'ev A. et al., Applied Physics Letters 2026 Vol. 128 Article 241102
High-quality planar cavities with low-absorption mirrors based on Al0.2Ga0.8As/Al0.9Ga0.1As layers demonstrate continuous wave lasing at a wavelength of 956 nm. At 300 K, the threshold power density and the quality-factor at the threshold are 4.2 kW/cm2 and 6800. Increasing the pump level above two thresholds results in an enlargement in the quality-factor to at least 19 ...
Added: July 8, 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
Гущина В. А., / Series chemrxiv-2023-vpzhz-v2 "ChemRxiv". 2023.
All-inorganic perovskite CsPbBr3 and Cs4PbBr6 nanoparticles are being intensively studied due to their unique properties and wide range of applications; however, however, the nature of their optical properties is not yet fully understood due to the difficulty of synthesis of singlephase nanoparticles. In this article we describe the features of the synthesis of single-phase particles ...
Added: May 14, 2026
Мальцева В. Е., Милевская А. В., Милевский Н. А. et al., Теоретические основы химической технологии 2025 Т. 59 № 3 С. 13–22
Проведено квантово-химическое моделирование механизма экстракции Fe(III) из солянокислого раствора с использованием гидрофобных эвтектических растворителей на основе 1-октанола. Установлено, что путь реакции существенно различается в зависимости от того, является ли инертный компонент донором или акцептором водородной связи в димере с октанолом. На основе оценки прочности водородных связей показано, что более слабое взаимодействие между компонентами упрощает протекание ...
Added: May 13, 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