117 research outputs found
Dissipative Particle Dynamics with energy conservation
Dissipative particle dynamics (DPD) does not conserve energy and this
precludes its use in the study of thermal processes in complex fluids. We
present here a generalization of DPD that incorporates an internal energy and a
temperature variable for each particle. The dissipation induced by the
dissipative forces between particles is invested in raising the internal energy
of the particles. Thermal conduction occurs by means of (inverse) temperature
differences. The model can be viewed as a simplified solver of the fluctuating
hydrodynamic equations and opens up the possibility of studying thermal
processes in complex fluids with a mesoscopic simulation technique.Comment: 5 page
Lattice Boltzmann Thermohydrodynamics
We introduce a lattice Boltzmann computational scheme capable of modeling
thermohydrodynamic flows of monatomic gases. The parallel nature of this
approach provides a numerically efficient alternative to traditional methods of
computational fluid dynamics. The scheme uses a small number of discrete
velocity states and a linear, single-time-relaxation collision operator.
Numerical simulations in two dimensions agree well with exact solutions for
adiabatic sound propagation and Couette flow with heat transfer.Comment: 11 pages, Physical Review E: Rapid Communications, in pres
Computer simulations of domain growth and phase separation in two-dimensional binary immiscible fluids using dissipative particle dynamics
We investigate the dynamical behavior of binary fluid systems in two
dimensions using dissipative particle dynamics. We find that following a
symmetric quench the domain size R(t) grows with time t according to two
distinct algebraic laws R(t) = t^n: at early times n = 1/2, while for later
times n = 2/3. Following an asymmetric quench we observe only n = 1/2, and if
momentum conservation is violated we see n = 1/3 at early times. Bubble
simulations confirm the existence of a finite surface tension and the validity
of Laplace's law. Our results are compared with similar simulations which have
been performed previously using molecular dynamics, lattice-gas and
lattice-Boltzmann automata, and Langevin dynamics. We conclude that dissipative
particle dynamics is a promising method for simulating fluid properties in such
systems.Comment: RevTeX; 22 pages, 5 low-resolution figures. For full-resolution
figures, connect to http://www.tcm.phy.cam.ac.uk/~ken21/tension/tension.htm
On the microscopic foundation of dissipative particle dynamics
Mesoscopic particle based fluid models, such as dissipative particle
dynamics, are usually assumed to be coarse-grained representations of an
underlying microscopic fluid. A fundamental question is whether there exists a
map from microscopic particles in these systems to the corresponding
coarse-grained particles, such that the coarse-grained system has the same bulk
and transport properties as the underlying system. In this letter, we
investigate the coarse-graining of microscopic fluids using a Voronoi type
projection that has been suggested in several studies. The simulations show
that the projection fails in defining coarse-grained particles that have a
physically meaningful connection to the microscopic fluid. In particular, the
Voronoi projection produces identical coarse-grained equilibrium properties
when applied to systems with different microscopic interactions and different
bulk properties.Comment: First revisio
A discretized integral hydrodynamics
Using an interpolant form for the gradient of a function of position, we
write an integral version of the conservation equations for a fluid. In the
appropriate limit, these become the usual conservation laws of mass, momentum
and energy. We also discuss the special cases of the Navier-Stokes equations
for viscous flow and the Fourier law for thermal conduction in the presence of
hydrodynamic fluctuations. By means of a discretization procedure, we show how
these equations can give rise to the so-called "particle dynamics" of Smoothed
Particle Hydrodynamics and Dissipative Particle Dynamics.Comment: 10 pages, RevTex, submitted to Phys. Rev.
Static and Dynamic Properties of Dissipative Particle Dynamics
The algorithm for the DPD fluid, the dynamics of which is conceptually a
combination of molecular dynamics, Brownian dynamics and lattice gas automata,
is designed for simulating rheological properties of complex fluids on
hydrodynamic time scales. This paper calculates the equilibrium and transport
properties (viscosity, self-diffusion) of the thermostated DPD fluid explicitly
in terms of the system parameters. It is demonstrated that temperature
gradients cannot exist, and that there is therefore no heat conductivity.
Starting from the N-particle Fokker-Planck, or Kramers' equation, we prove an
H-theorem for the free energy, obtain hydrodynamic equations, and derive a
non-linear kinetic equation (the Fokker-Planck-Boltzmann equation) for the
single particle distribution function. This kinetic equation is solved by the
Chapman-Enskog method. The analytic results are compared with numerical
simulations.Comment: 22 pages, LaTeX, 3 Postscript figure
Superfluid pairing in a polarized dipolar Fermi gas
We calculate the critical temperature of a superfluid phase transition in a
polarized Fermi gas of dipolar particles. In this case the order parameter is
anisotropic and has a nontrivial energy dependence. Cooper pairs do not have a
definite value of the angular momentum and are coherent superpositions of all
odd angular momenta. Our results describe prospects for achieving the
superfluid transition in single-component gases of fermionic polar molecules.Comment: 12 pages, 2 figure
Thermodynamically admissible form for discrete hydrodynamics
We construct a discrete model of fluid particles according to the GENERIC
formalism. The model has the form of Smoothed Particle Hydrodynamics including
correct thermal fluctuations. A slight variation of the model reproduces the
Dissipative Particle Dynamics model with any desired thermodynamic behavior.
The resulting algorithm has the following properties: mass, momentum and energy
are conserved, entropy is a non-decreasing function of time and the thermal
fluctuations produce the correct Einstein distribution function at equilibrium.Comment: 4 page
Observation of p-wave Threshold Law Using Evaporatively Cooled Fermionic Atoms
We have measured independently both s-wave and p-wave cross-dimensional
thermalization rates for ultracold potassium-40 atoms held in a magnetic trap.
These measurements reveal that this fermionic isotope has a large positive
s-wave triplet scattering length in addition to a low temperature p-wave shape
resonance. We have observed directly the p-wave threshold law which, combined
with the Fermi statistics, dramatically suppresses elastic collision rates at
low temperatures. In addition, we present initial evaporative cooling results
that make possible these collision measurements and are a precursor to
achieving quantum degeneracy in this neutral, low-density Fermi system.Comment: 5 pages, 3 figures, 1 tabl
A Dissipative-Particle-Dynamics Model for Simulating Dynamics of Charged Colloid
A mesoscopic colloid model is developed in which a spherical colloid is
represented by many interacting sites on its surface. The hydrodynamic
interactions with thermal fluctuations are taken accounts in full using
Dissipative Particle Dynamics, and the electrostatic interactions are simulated
using Particle-Particle-Particle Mesh method. This new model is applied to
investigate the electrophoretic mobility of a charged colloid under an external
electric field, and the influence of salt concentration and colloid charge are
systematically studied. The simulation results show good agreement with
predictions from the electrokinetic theory.Comment: 17 pages, 8 figures, submitted to the proceedings of High Performance
Computing in Science & Engineering '1
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