相关论文: Control-volume representation of molecular dynamic…
Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained models is extremely challenging due to the need to solve the Poisson equation at every simulation timestep. Recently, a molecular dynamics (MD) method…
The dynamics of supercooled liquid and glassy systems are usually studied within the Lagrangian representation, in which the positions and velocities of distinguishable interacting particles are followed. Within this representation,…
Droplet motion over a surface with wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics. GROMACS and Visual Molecular Dynamics (VMD) were used for simulation and intermittent…
The filtration of fluid in 2D porous medium is simulated by the molecular dynamics technique. The high concentration of fluid is created at the initial point in time and the number of fluid particles is investigated in all porous. The…
The Eulerian variational formulation is presented to obtain governing equations of the electromagnetic turbulent gyrokinetic system. A local momentum balance in the system is derived from the invariance of the Lagrangian of the system under…
Event-driven molecular dynamics simulations are carried out on two rigid body systems which differ in the symmetry of their molecular mass distributions. First, simulations of methane in which the molecules interact via discontinuous…
A fluid flow in a simple dense liquid, passing an obstacle in a two-dimensional thin film geometry, is simulated by Molecular Dynamics (MD) computer simulation and compared to results of Lattice Boltzmann (LB) simulations. By the…
This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…
In this article, Euler-Lagrangian dynamics explain that the two particle interaction has non-conservative forces about the frame of the center of mass. This interpretation clarifies the underlying interaction and the system descriptions…
This paper presents a port-Hamiltonian formulation of vehicle-manipulator systems (VMS), a broad class of robotic systems including aerial manipulators, underwater manipulators, space robots, and omnidirectional mobile manipulators. Unlike…
We present mode-coupling equations for the description of the slow dynamics observed in supercooled molecular liquids close to the glass transition. The mode-coupling theory (MCT) originally formulated to study the slow relaxation in simple…
For integrable systems in the sense of multidimensional consistency (MDC) we can consider the Lagrangian as a form, which is closed on solutions of the equations of motion. For 2-dimensional systems, described by partial difference…
Particle-laden flows are simulated at various scales using numerical techniques that range from particle-resolved Direct Numerical Simulations (pr-DNS) for small-scale systems to Lagrange point-particle methods for laboratory-scale…
We address here the discretization of the momentum convection operator for fluid flow simulations on 2D triangular and quadrangular meshes and 3D polyhedral meshes containing hexahedra, tetrahedra, prisms and pyramids. The finite volume…
When analyzing cell trajectories, we often have to deal with noisy data due to the random motion of the cells and possible imperfections in cell center detection. To smooth these trajectories, we present a mathematical model and numerical…
This paper develops numerical methods for optimal control of mechanical systems in the Lagrangian setting. It extends the theory of discrete mechanics to enable the solutions of optimal control problems through the discretization of…
The Lagrangian theory of structure formation in cosmological fluids, restricted to the matter model ``dust'', provides successful models of large-scale structure in the Universe in the laminar regime, i.e., where the fluid flow is…
A formalism of classical mechanics is given for time-dependent many-body states of quantum mechanics, describing both fluid flow and point mass trajectories. The familiar equations of energy, motion, and those of Lagrangian mechanics are…
In this work, a new model in kinetic gas theory for deriving the Maxwellian Velocity Distribution (MVD) is proposed. We construct an operator that governs the discrete time evolution of the velocity distribution. This operator, which…
In this manuscript, we undertake an examination of a classical plasma deployed on two finite co-planar surfaces: a circular region $\Omega_{in}$ into an annular region $\Omega_{out}$ with a gap in between. It is studied both from the point…