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We present predictions for the statistical error due to finite sampling in the presence of thermal fluctuations in molecular simulation algorithms. Specifically, we establish how these errors depend on Mach number, Knudsen number, number of…
Molecular dynamics simulations are used to model the thermal properties of a fluid containing solid nanoparticles (nanofluid). The flexibility of molecular simulation allows us to consider the effects of particle mass, particle-particle and…
We have studied the breakup and subsequent fluid flow in very thin films of partially wetting liquid on solid substrates, using molecular dynamics simulations. The liquid is made of short chain molecules interacting with Lennard-Jones…
In this article, we introduce Lyapunov-type results to investigate the stability of the trivial solution of a Stieltjes dynamical system. We utilize prolongation results to establish the global existence of the maximal solution. Using…
We comment on some recent, yet unpublished results concerning instabilities in complex systems and their applications. In particular, we briefly describe main observations during extensive computer simulations of two lattice nonequilibrium…
We review exact formalisms for describing the dynamics of liquids in terms of static parameters. We discuss how these formalisms are prone to suffer from imposing restrictions that appear to adhere to common sense but which are overly…
A thermodynamically consistent model of non-classical coupled non-linear thermoelasticity capable of accounting for thermal wave propagation is proposed. The heat flux is assumed to consist of both additive energetic and dissipative…
Computer simulations show that liquids of molecules with harmonic intramolecular bonds may have "pseudoisomorphic" lines of approximately invariant dynamics in the thermodynamic phase diagram. We demonstrate that these lines can be…
We propose a new method to compute the free energy or enthalpy of fluids or disordered solids by computer simulation . The main idea is to construct a reference system by freezing one representative configuration, and then carry out a…
Since physical theories employ mathematical models to describe and predict physical phenomena, our knowledge depends on the models available to that end. To increase their scope we present a particular type of simplified models, serial…
Multi-particle collision dynamics is an appealing numerical technique aiming at simulating fluids at the mesoscopic scale. It considers molecular details in a coarse-grained fashion and reproduces hydrodynamic phenomena. Here, the…
We present a theory of the dynamics of monatomic liquids built on two basic ideas: (1) The potential surface of the liquid contains three classes of intersecting nearly-harmonic valleys, one of which (the ``random'' class) vastly outnumbers…
The relativistic fluid is a highly successful model used to describe the dynamics of many-particle, relativistic systems. It takes as input basic physics from microscopic scales and yields as output predictions of bulk, macroscopic motion.…
In this paper, we consider the data-driven discovery of stable dynamical models with a single equilibrium. The proposed approach uses a basis-function parameterization of the differential equations and the associated Lyapunov function. This…
It is shown that the equilibrium Generalized Mean Spherical Model of fluid structure may be extended to nonequilibrium states with equation of state information used in equilibrium replaced by an exact condition on the two-body distribution…
Thin liquid films are nanoscopic elements of foams, emulsions and suspensions, and form a paradigm for nanochannel transport that eventually test the limits of hydrodynamic descriptions. Here we use classical dynamical systems…
A statistical theory is presented which allows to calculate the stationary state achieved by a driven system after a process of collisionless relaxation. The theory is applied to study an electron beam driven by an external electric field.…
This paper is concerned with the Lyapunov spectrum for measurable cocycles over an ergodic pmp system taking values in semi-simple real Lie groups. We prove simplicity of the Lyapunov spectrum and its continuity under certain perturbations…
The single-particle and collective dynamical properties of liquid lithium have been evaluated at several thermodynamic states near the triple point. This is performed within the framework of mode-coupling theory, using a self-consistent…
We use dynamical systems theory to construct the normal form of the Navier--Stokes equations for the flow of a thin layer of fluid upon a solid substrate. The normal form equations illuminate the fluid dynamics by decoupling the long-term…