Related papers: The constant-pressure molecular dynamics for finit…
Highlights are presented regarding recent developments of the kinetic theory of granular matter. These concern the discovery of an exact kinetic equation and a related exact H-theorem both holding for finite $N-$body systems formed by…
In this paper, we will critically discuss recent theoretical and experimental developments on the transport of one dimensional quantum systems. In particular, we will focus on open issues and controversial results related to the finite…
In this work we study the dynamic behaviour of compound shells of revolution partially filled with an ideal incompressible fluid based on boundary-value problems. New analytical mathematical model with corresponding discrete scheme for the…
In this paper, we summarize the historical development of finite-time thermodynamics and review the current state of research over the past two decades in this field, focusing on fundamental constraints of finite-time thermodynamic cycles,…
The evolution of particulate and multiphase systems can transition from dynamic regimes, governed by classical transport equations with well-defined damping coefficients, to anomalously slow relaxation described by rate equations when the…
Inspired by one--dimensional light--particle systems, the dynamics of a non-Hamiltonian system with long--range forces is investigated. While the molecular dynamics does not reach an equilibrium state, it may be approximated in the…
In this paper, we define B-smooth discontinuous dynamical systems which can be used as models of various processes in mechanics, electronics, biology and medicine. We find sufficient conditions to guarantee the existence of such systems.…
The mechanics of the structured particles develops. The substantiation of applicability of such mechanics for the description of processes of evolution in open nonequilibrium systems is offered. The consequences following from the equations…
Capillary phenomena are involved in many industrial processes, especially those dealing with composite manufacturing. However, their modelling is still challenging. Therefore, a finite element setting is proposed to better investigate this…
The liquid-gas phase transition in finite nuclei is studied in a heated liquid-drop model where the nuclear drop is assumed to be in thermodynamic equilibrium with its own evaporated nucleonic vapor conserving the total baryon number and…
All-atom simulations can provide molecular-level insights into the dynamics of gas-phase, condensed-phase and surface processes. One important requirement is a sufficiently realistic and detailed description of the underlying intermolecular…
We consider the application of finite-size scaling methods to isothermal-isobaric (constant-NpT) simulations of pure continuum fluids. A finite-size scaling ansatz is made for the dependence of the relevant scaling operators on the particle…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
We describe here in detail the recently introduced methodology for simulation of structural transitions in crystals. The applications of the new scheme are illustrated on various kinds of crystals and the advantages with respect to previous…
We experimentally investigate the dynamics of capillary-driven flows at the nanoscale, using an original platform that combines nanoscale pores and microfluidic features. Our results show a coherent picture across multiple experiments…
Many suspensions contain particles with complex shapes that are affected not only by hydrodynamics, but also by thermal fluctuations, internal kinematic constraints and other long-range non-hydrodynamic interactions. Modeling these systems…
Warm dense matter systems created in the laboratory are highly dynamical. In such cases electron dynamics is often needed to accurately simulate the evolution and properties of the system. Large systems force one to make simple…
The paper introduces a finite element method for the incompressible Navier--Stokes equations posed on a closed surface $\Gamma\subset\R^3$. The method needs a shape regular tetrahedra mesh in $\mathbb{R}^3$ to discretize equations on the…
Using a coarse molecular-dynamics (CMD) approach with an appropriate choice of coarse variable (order parameter), we map the underlying effective free-energy landscape for the melting of a crystalline solid. Implementation of this approach…
We study dynamics of a probe molecule, driven by an external constant force in a liquid monolayer on top of solid surface. In terms of a microscopic, mean-field-type approach, we calculate the terminal velocity of the probe molecule. This…