Research on monolayer h-BN cell strain effect vacancy stability

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Research on monolayer h-BN cell strain effect vacancy stability

Journal of Physics: Conference Series. 2019. No. 1353. Article 012020.

Serzhantova M. V., Titov M. A., Obvertkin I. V.

This article presents a research on Hexagonal Boron Nitride (h-BN) monolayer cell strain effect 2 % and 4 %. Structure of h-BN with nitrogen vacancy, with boron vacancy and with divacancy was considered for this. The calculations were carried out within framework of the density functional formalism with gradient corrections and using the VASP package. Vanderbilt Ultra-Soft Pseudopotential was used in the course of the calculations. It is possible to conclude that nitrogen vacancies are the most stable, regardless of monolayer deformation on the results obtained. Understanding of atomic scale stability and dynamics of defects in such systems is crucial for predicting their properties and applications in electronics.

Research target: Computer Science Physics

Keywords: VASP Density functional theory (DFT)h-BN

Search for the Decay B+ -> K+ tau+ tau- Using Data from the Belle and Belle II Experiments

Bodrov D., Pakhlov P., Pakhlova G. et al., Physical Review Letters 2026 Vol. 137 Article 051805

We report a search for the rare decay B+ -> K+ tau+ tau- using 1.2 x 10^9 Upsilon(4S) mesons produced near threshold in electron-positron collisions and collected by the Belle and Belle II experiments. We fully reconstruct the hadronic decay of one B meson produced in the Upsilon(4S) -> B+ B- decay, and search for ...

Added: October 1, 2026

Observation of the Radiative Decay D*_s0(2317)+ -> D*+_s gamma

Bodrov D., Aushev Т., Abumusabh М., Physical Review A: Atomic, Molecular, and Optical physics 2026 No. 136 Article 241901

We report the first observation of the radiative decay D*_s0(2317)+ -> D*+_s gamma with a statistical significance exceeding 10 standard deviations. The signal is observed in the continuum e+ e- -> c c-bar process, using combined data samples of 980.4 fb^-1 from Belle and 427.9 fb^-1 from Belle II, collected at the KEKB and SuperKEKB ...

Added: October 1, 2026

First measurements of the branching fractions for the decay modes Ξ0𝑐 →Λ⁢𝜂 and Ξ0𝑐 →Λ⁢𝜂′ and search for the decay Ξ0𝑐 →Λ⁢𝜋0 using Belle and Belle II data

Bodrov D., Pakhlova G., Aushev Т. et al., Physical Review A: Atomic, Molecular, and Optical physics 2026 Vol. D 113 Article 032015

Using data samples of 988.4 fb^-1 and 427.9 fb^-1 collected with the Belle and Belle II detectors, we present a study of the singly Cabibbo-suppressed decays Xi0_c -> Lambda eta, Lambda eta', and Lambda pi0. We observe the decay Xi0_c -> Lambda eta and find evidence for the decay Xi0_c -> Lambda eta', with corresponding ...

Added: October 1, 2026

Study of e+e− → π +π −Υ(1D) at Belle II

Pakhlov P., Pakhlova G., Bodrov D. et al., Journal of High Energy Physics 2026 Article 278

The bottomonium spectrum, consisting of bound states of a b quark and an anti-b quark, provides an excellent laboratory for probing quantum chromodynamics in the non-perturbative regime. While S and P-wave bottomonium states are well studied experimentally, information on D-wave states remains scarce. We search for the D-wave bottomonium states Upsilon_2(1D) and Upsilon_3(1D) via the ...

Added: October 1, 2026

Measurement of time-dependent CP violation parameters in B 0 → KS0π 0γ decays at Belle and Belle II

Bodrov D., Pakhlova G., Uglov T. et al., Journal of High Energy Physics 2026 Vol. 09 No. 216

We perform a measurement of time-dependent CP violation parameters in B0 -> KS0 pi0 gamma decays using a dataset of approximately 772 x 10^6 and 521 x 10^6 Upsilon(4S) decays collected by the Belle and Belle II experiments, respectively. The measured parameters for the combined dataset in the K0(892) dominated region (M_KS0pi0 in [0.8, 1.0] ...

Added: October 1, 2026

Searches for Charged-Lepton-Flavor Violation in χbJð1PÞ Decays

Pakhlov P., Pakhlova G., Bodrov D. et al., Physical Review Letters 2026 No. 137 Article 071803

We report the first searches for charged-lepton-flavor violation in decays of chi_bJ(1P) (J = 0, 1, and 2) to a pair of charged leptons using 158 million Y(2S) decays collected with the Belle detector in e+ e- collisions at the KEKB collider. No significant signal is observed, and we set upper limits on the branching ...

Added: October 1, 2026

Консервативные энтропийно и энергетически корректные разностные методы для одномерных квазигазодинамических систем уравнений

Zlotnik A., Математические заметки 2026 Т. 120 № 6 С. 1005–1009

Численным методам решения систем газодинамических уравнений посвящена обширная литература. Ранее было разработано и успешно апробировано специальное семейство симметричных по пространству консервативных разностных методов, основанных на предварительной кинетической, точнее, квазигазодинамической (КГД), регуляризации этих уравнений. Актуальной задачей является построение численных методов, которые обладают не только свойством консервативности по массе, импульсу и полной энергии, но и удовлетворяют условиям энтропийной ...

Added: October 1, 2026

Markovian reduction and exponential mixing in total variation for random dynamical systems

Kuksin S., Shirikyan A., Journal of Dynamics and Differential Equations 2026 P. 1098–1100

The paper deals with the problem of large-time behaviour of trajectories for discrete-time dynamical systems driven by a random noise. Assuming that the phase space is finite-dimensional and compact, and the noise is a Markov process with a transition probability satisfying some regularity hypotheses, we prove that all the trajectories converge to a unique measure ...

Added: October 1, 2026

Proceedings of the Thirty-Fifth International Joint Conference on Artificial Intelligence (IJCAI 2026)

International Joint Conferences on Artificial Intelligence, 2026.

Added: October 1, 2026

Asymptotics of Spectrum and Quantum Averages of the Hydrogen Atom in a Magnetic Field Near the Upper Boundaries of Spectral Clusters

A. V. Pereskokov, Journal of Mathematical Sciences 2026 Vol. 302 No. 4 P. 531–545

We consider the Zeeman effect problem for the hydrogen atom in a magnetic field using irreducible representations of the Karasev–Novikova algebra with quadratic commutation relations. We find the asymptotics of a series of eigenvalues and the corresponding asymptotic eigenfunctions near the upper boundaries of spectral clusters. ...

Added: October 1, 2026

Ensemble-based Prototype-Augmented Multimodal Fusion for Ambivalence/Hesitancy Recognition

Ryumina E., Aksenov A., Сысоев Д. С. et al., IEEE Computer Society, 2026.

Ambivalence/hesitancy recognition in unconstrained videos is a challenging problem due to the subtle, multimodal, and context-dependent nature of this behavioral state. In this paper, a multimodal approach for video-level ambivalence/hesitancy recognition is presented for the 10th ABAW Competition. The proposed approach integrates four complementary modalities: scene, face, audio, and text. Scene dynamics are captured with ...

Added: September 30, 2026

Small area quantum-dot stripe lasers with focused-ion-beam-etched mirrors

Obraztsova Anna, Fominykh Nikita, Komarov Sergey et al., Applied Physics Letters 2026 Vol. 129 Article 132110

Miniaturization of edge-emitting quantum-dot lasers is hampered by increased mirror losses in ultra-short Fabry–Perot cavities and limited modal gain of quantum dots (QDs). Here, we demonstrate electrically injected InGaAs/GaAs quantum-dot stripe lasers with an 8-lm stripe width and focused-ion-beam (FIB)-etched mirrors defining cavity lengths from 300 to 77 lm. The laser cavities were fabricated using ...

Added: September 30, 2026

Decoding Algorithms for Binary U-UV Codes: A Unified Survey of Performance and Complexity

Ivanov F., Kotov F., IEEE Access 2026 Vol. 14 P. 104662–104679

U-UV codes, based on the Plotkin (U, U + V) construction, provide a unified framework that includes polar and Reed–Muller codes and enables flexible design through the choice of component codes. While modern capacity-approaching codes achieve excellent performance at large block lengths, their efficiency at short and moderate lengths remains limited, especially under low-latency constraints. ...

Added: September 30, 2026

The EG-TD3 Machine Learning Architecture: Evolutionary-Guided Twin Delayed Deep Deterministic Policy Gradient

Djambong Tenkeu H., Institute for System Programming of the RAS, 2026.

Added: September 29, 2026

Нетривиальное поведение пирамидальных уединенных волн в обобщенном уравнении Гарднера

Melnikov I., Pelinovsky E., Доклады Российской академии наук. Физика, технические науки (ранее - Доклады Академии Наук. Физика) 2026 Т. 529 С. 29–36

Conditions for the emergence of pyramidal solitary waves (solitary waves possessing more than two inflection points) are presented for a family of generalized Korteweg – de Vries (KdV) equations. For the generalized Gardner equation, it is shown that pyramidal solitons are unstable. The decay of initial perturbations close to pyramidal solitary waves is demonstrated numerically. ...

Added: September 29, 2026

Нижние множества и свойства замкнутости классов функций подсчета

Ivanashev Y., Доклады Российской академии наук. Математика, информатика, процессы управления (ранее - Доклады Академии Наук. Математика) 2026 Т. 529 С. 93–101

Язык L является нижним для релятивизируемого сложностного класса C, если CL=C. Для классов #P, GapP и SpanP известны точные нижние классы языков: Low(#P) = UP ∩ coUP, Low(GapP) = SPP и Low(SpanP) = NP ∩ coNP. В этой статье мы доказываем, что Low(TotP) = P, и приводим характеризации нижних классов функций для #P, GapP, TotP ...

Added: September 28, 2026

Benchmarking exchangecorrelation functionals and van der Waals treatments for materials relevant to diamond-like carbon deposition

Kartsev A., Васильев Д. А., Kushchuk L. et al., Materials Today Communications 2026

Amorphous carbon coatings, including diamond-like carbon (DLC), exhibit a wide range of structural and mechanical properties governed by the local bonding topology (the sp2/sp3 ratio), as well as by deposition conditions and substrate material. Recently, machine-learning interatomic potentials trained predominantly on density functional theory (DFT) reference data have significantly advanced multiscale modeling of amorphous carbon ...

Added: September 28, 2026

The Search of the Process e+e−→(ω, ρ)→ηe+e− at 680–820 MeV c.m. Energy Range with the CMD-3 Detector

A. K. Narvatkina, Physics of Atomic Nuclei 2025 Vol. 88 No. 4 P. 386–393

We report a search for the rare Dalitz decays ω → ηe+e− and ρ → ηe+e− using data from the CMD-3 detector at the VEPP-2000 e+e− collider. These decays probe the electromagnetic structure of vector mesons and test the Vector Dominance Model (VDM) in low-energy QCD. A blind analysis technique, combined with kinematic constraints and ...

Added: September 28, 2026

Polaron transport and Verwey transition in magnetite

Fominykh N., Stegailov V., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 Article 115132

The enigmatic puzzle of the Verwey transition in magnetite Fe3O4 has been unresolved for almost a century. We present an ab initio-based model of the polaron transport combining kinetic Monte Carlo and molecular dynamics calculations to directly describe the coupling of polarons with lattice vibrations. Contrary to the Ihle-Lorenz small-polaron model, we find no significant ...

Added: September 28, 2026

Role of dislocations in the mobility of pinned helium bubbles: Molecular dynamics simulations in aluminum

Piliugin L., Antropov A., Lobashev E. et al., Journal of Nuclear Materials 2026 Vol. 632 Article 156876

The effects of dislocations on the mobility of gas nanobubbles pinned to them are considered as novel unex- plored mechanisms of accelerated fission gas release and investigated using classical molecular dynamics of helium bubbles in FCC aluminum. Non-equilibrium methods are developed to calculate the mobility of a pinned bubble both along and across the dislocation ...

Added: September 28, 2026

MPI+OpenMP implementation of resolution-of-the-identity Hartree-Fock method exploiting permutational symmetry of three-center electron repulsion integrals

Kashpurovich I., Oleynichenko A., Stegailov V., Supercomputing Frontiers and Innovations 2026 Vol. 13 No. 1 P. 52–73

We report a high-performance implementation of the resolution-of-the-identity Hartree–Fock method that fully exploits the permutational symmetry of three-center electron repulsion integrals (ERI). The present implementation adopts a hybrid MPI+OpenMP parallelization strategy. Two different algorithmic approaches (with and without the pre-transformation of ERIs) are compared. A custom data layout introduced previously is employed. Designed to efficiently ...

Added: September 28, 2026

Phase Engineering of Cs–Pb–Br Nanoparticles for Tunable Optical Behavior

Son A. G., Gushina V. A., Teplyakov E. A. et al., Physical Chemistry Chemical Physics 2026 Vol. 28 No. 33 P. 20162–20176

We report tunable structural and optical properties of Cs‑Pb‑Br nanomaterials, including the classic CsPbBr3 perovskite, and perovskite-inspired CsPb2Br5 and Cs4PbBr6 compounds. By systematically varying precursor composition, reaction conditions, and external stimuli, such as moisture and solvents, we achieve controlled formation and reversible phase transitions among these structures. Optical spectroscopy, combined with density functional theory, reveals ...

Added: July 31, 2026

Incorporating Scientific Knowledge into Neural Network Density Functionals

Schneider M., Zaripov D., Dokin R. et al., Journal of Chemical Theory and Computation 2026 Vol. 22 No. 9 P. 4405–4414

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

The critical role of shear antiphase boundaries in τ-Mn(Al,Ga) rapidly quenched alloy

Fortuna A. S., A.I. Kartsev, Gorshenkov M. V. et al., Journal of Alloys and Compounds 2026 Vol. 1070 Article 188711

The τ-phase in Mn-Al-Ga alloys is a promising candidate for rare-earth-free permanent magnets. This study re-veals that the τ(γ₂)-phase in rapidly quenched Mn55Al36Ga9 ribbons contains a high density of dislocations, which form antiphase boundaries (APBs). Using transmission electron microscopy and density functional theory, we demonstrate that Mn atoms at these APBs couple antiferromagnetically. This antiferromagnetic interaction is identified ...

Added: June 2, 2026