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A new and very general technique for simulating solid-fluid suspensions is described; its most important feature is that the computational cost scales linearly with the number of particles. The method combines Newtonian dynamics of the…
In this article Denis Diderot's Fifth Memoir of 1748 on the problem of a pendulum damped by air resistance is discussed. Diderot wrote the Memoir in order to clarify an assumption Newton made without further justification in the first pages…
This paper studies the dynamics of relaxation phenomena in the standard dissipative particle dynamics (DPD) model [Groot and Warren, JCP, 107:4423 (1997)]. Using fluctuating hydrodynamics as the framework of the investigation, we focus on…
Unlike crystalline solids or ideal gases, transport properties remain difficult to describe from a microscopic point of view in liquids, whose dynamics result from complex energetic and entropic contributions at the atomic scale. Two…
We solve a set of selected exercises on rotational motion requiring a mechanical and thermodynamical analysis. When non-conservative forces or thermal effects are present, a complete study must use the first law of thermodynamics together…
This paper proposes a decoupled numerical scheme of the time-dependent Ginzburg--Landau equations under the temporal gauge. For the magnetic potential and the order parameter, the discrete scheme adopts the second type Ned${\rm…
The classical Landau-Lifshitz equation has been derived from quantum mechanics. Starting point is the assumption of a non-Hermitian Hamilton operator to take the energy dissipation into account. The corresponding quantum mechanical time…
Discrete dynamics arise naturally in systems with broken temporal translation symmetry and are typically described by first-order recurrence relations representing classical or quantum Markov chains. When memory effects induced by hidden…
Dirac-Frenkel variational method with Davydov D2 trial wavefunction is extended by introducing a thermalization algorithm and applied to simulate dynamics of a general open quantum system. The algorithm allows to control temperature…
We develop the theory of discrete time Lagrangian mechanics on Lie groups, originated in the work of Veselov and Moser, and the theory of Lagrangian reduction in the discrete time setting. The results thus obtained are applied to the…
We describe a numerical method which allows us to go beyond the classical approximation for the real-time dynamics of many-body systems by approximating the many-body Wigner function by the most general Gaussian function with time-dependent…
Despite its simplicity, it seems to my best of knowledge that the possibly simplest approach towards deriving equations governing irreversible thermodynamics from gas-kinetic considerations within the framework of classical mechanics has…
We introduce a method "DMT" for approximating density operators of 1D systems that, when combined with a standard framework for time evolution (TEBD), makes possible simulation of the dynamics of strongly thermalizing systems to arbitrary…
Variational principles play a central role in classical mechanics, providing compact formulations of dynamics and direct access to conserved quantities. While holonomic systems admit well-known action formulations, non-holonomic systems --…
We study the connection between Lagrangian and Hamiltonian descriptions of closed/open dynamics, for a collection of particles with quadratic interaction (closed system) and a sub-collection of particles with linear damping (open system).…
In an attempt to derive thermodynamics from classical mechanics, an approximate expression for the equilibrium temperature of a finite system has been derived [M. Bianucci, R. Mannella, B. J. West, and P. Grigolini, Phys. Rev. E 51, 3002…
A simple and efficient one-dimensional discrete Boltzmann method is developed for compressible flows with tunable specific heat ratios by incorporating extra degrees of freedom. To guarantee Galilean invariance in numerical simulations, a…
We present a new algorithm for isothermal-isobaric molecular-dynamics simulation. The method uses an extended Hamiltonian with an Andersen piston combined with the Nos'e-Poincar'e thermostat, recently developed by Bond, Leimkuhler and Laird…
Extremal principles can generally be divided into two rather distinct classes. There are, on the one hand side, formulations based on the Lagrangian or Hamiltonian mechanics, respectively, dealing with time dependent problems, but…
We introduce the idea of weakly coherent collisional models, where the elements of an environment interacting with a system of interest are prepared in states that are approximately thermal, but have an amount of coherence proportional to a…