arXiv subjects

Nikolay V. Brilliantov

Publications and source records attributed to Nikolay V. Brilliantov.

6 recordsLinked to original sources

arXiv2026

Fast and accurate quasi-atom method for simultaneous atomistic and continuum simulation of solids

We report a novel hybrid method of simultaneous atomistic simulation of solids in critical regions (contacts surfaces, cracks areas, etc.), along with continuum modeling of other parts. The continuum is treated in terms of quasi-atoms of different size, comprising composite medium. The parameters of interaction potential between the quasi-atoms are optimized to match elastic properties of the composite medium to those of the atomic one. The optimization method coincides conceptually with the online Machine Learning (ML) methods, making it computationally very efficient. Such an approach allows a straightforward application of standard software packages for molecular dynamics (MD), supplemented by the ML-based optimizer. The new method is applied to model systems with a simple, pairwise Lennard-Jones potential, as well with multi-body Tersoff potential, describing covalent bonds. Using LAMMPS software we simulate collision of particles of different size. Comparing simulation results, obtained by the novel method, with full-atomic simulations, we demonstrate its accuracy, validity and overwhelming superiority in computational speed. Furthermore, we compare our method with other hybrid methods, specifically, with the closest one -- AtC (Atomic to Continuum) method. We demonstrate a significant superiority of our approach in computational speed and implementation convenience. Finally, we discuss a possible extension of the method for modeling other phenomena.

cond-mat.mtrl-sci↗

arXiv2025

An effective control of large systems of active particles: An application to evacuation problem

Manipulation of large systems of active particles is a serious challenge across diverse domains, including crowd management, control of robotic swarms, and coordinated material transport. The development of advanced control strategies for complex scenarios is hindered, however, by the lack of scalability and robustness of the existing methods, in particular, due to the need of an individual control for each agent. One possible solution involves controlling a system through a leader or a group of leaders, which other agents tend to follow. Using such an approach we develop an effective control strategy for a leader, combining reinforcement learning (RL) with artificial forces acting on the system. To describe the guidance of active particles by a leader we introduce the generalized Vicsek model. This novel method is then applied to the problem of the effective evacuation by a robot-rescuer (leader) of large groups of people from hazardous places. We demonstrate, that while a straightforward application of RL yields suboptimal results, even for advanced architectures, our approach provides a robust and efficient evacuation strategy. The source code supporting this study is publicly available at: https://github.com/cinemere/evacuation.

cs.RO↗

arXiv2023

Atomistic mechanism of friction force independence on the normal load and other friction laws for dynamic structural superlubricity

We explore dynamic structural superlubricity for the case of a relatively large contact area, where the friction force is proportional to the area (exceeding $\sim 100\,nm^2$) experimentally, numerically, and theoretically. We use a setup comprised of two molecular smooth incommensurate surfaces -- graphene-covered tip and substrate. The experiments and MD simulations demonstrate independence of the friction force on the normal load, for a wide range of normal loads and relative surface velocities. We propose an atomistic mechanism of this phenomenon, associated with synchronic out-of-plane surface fluctuations of thermal origin, and confirm it by numerical experiments. Based on this mechanism, we develop a theory for this type of superlubricity and show that friction force increases linearly with increasing temperature and relative velocity, for velocities, larger than a threshold velocity. The MD results are in a fair agreement with predictions of the theory.

physics.comp-ph↗

arXiv2014

Field-regulated force by grafted polyelectrolytes

Generation of mechanical force regulated by external electric field is studied both theoretically and by molecular dynamics (MD) simulations. The force arises in deformable bodies linked to the free end of a grafted polyelectrolyte chain which is exposed to electric field that favours its adsorption. We consider a few target bodies with different force-deformation relations including (i) linear and (ii) cubic dependences as well as (iii) Hertzian-like force. Such force-deformation relations mimic the behaviour of (i) coiled and (ii) stretched polymer chains, respectively, or (iii) that of a squeezed colloidal particle. The magnitude of the arising force varies over a wide interval although the electric field alters within a relatively narrow range only. The predictions of our theory agree quantitatively well with the results of numerical simulations. Both cases of zero and finite electrical current are investigated and we do not obtain substantial differences in the force generated. The phenomenon studied could possibly be utilised to design, e.g., vice-like devices to fix nano-sized objects.

cond-mat.stat-mech↗

arXiv2014

A dissipative force between colliding viscoelastic bodies: Rigorous approach

A collision of viscoelastic bodies is analysed within a mathematically rigorous approach. We develop a perturbation scheme to solve continuum mechanics equation, which deals simultaneously with strain and strain rate in the bulk of the bodies' material. We derive dissipative force that acts between particles and express it in terms of particles' deformation, deformation rate and material parameters. It differs noticeably from the currently used dissipative force, found within the quasi-static approximation and does not suffer from inconsistencies of this approximation. The proposed approach may be used for other continuum mechanics problems where the bulk dissipation is addressed.

cond-mat.stat-mech↗

arXiv2009

A model of ballistic aggregation and fragmentation

A simple model of ballistic aggregation and fragmentation is proposed. The model is characterized by two energy thresholds, Eagg and Efrag, which demarcate different types of impacts: If the kinetic energy of the relative motion of a colliding pair is smaller than Eagg or larger than Efrag, particles respectively merge or break; otherwise they rebound. We assume that particles are formed from monomers which cannot split any further and that in a collision-induced fragmentation the larger particle splits into two fragments. We start from the Boltzmann equation for the mass-velocity distribution function and derive Smoluchowski-like equations for concentrations of particles of different mass. We analyze these equations analytically, solve them numerically and perform Monte Carlo simulations. When aggregation and fragmentation energy thresholds do not depend on the masses of the colliding particles, the model becomes analytically tractable. In this case we show the emergence of the two types of behavior: the regime of unlimited cluster growth arises when fragmentation is (relatively) weak and the relaxation towards a steady state occurs when fragmentation prevails. In a model with mass-dependent Eagg and Efrag the evolution with a cross-over from one of the regimes to another has been detected.

cond-mat.stat-mech↗