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

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

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

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 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.

1S-2S Spectrum of a Hydrogen Bose-Einstein Condensate

We calculate the two-photon 1S-2S spectrum of an atomic hydrogen Bose-Einstein condensate in the regime where the cold collision frequency shift dominates the lineshape. WKB and static phase approximations are made to find the intensities for transitions from the condensate to motional eigenstates for 2S atoms. The excited state wave functions are found using a mean field potential which includes the effects of collisions with condensate atoms. Results agree well with experimental data. This formalism can be used to find condensate spectra for a wide range of excitation schemes.Comment: 13 pages, 4 figure

Pauli Blocking of Collisions in a Quantum Degenerate Atomic Fermi Gas

We have produced an interacting quantum degenerate Fermi gas of atoms composed of two spin-states of magnetically trapped $^{40}$K. The relative Fermi energies are adjusted by controlling the population in each spin-state. Measurements of the thermodynamics reveal the resulting imbalance in the mean energy per particle between the two species, which is as large as a factor of 1.4 at our lowest temperature. This imbalance of energy comes from a suppression of collisions between atoms in the gas due to the Pauli exclusion principle. Through measurements of the thermal relaxation rate we have directly observed this Pauli blocking as a factor of two reduction in the effective collision cross-section in the quantum degenerate regime.Comment: 11 pages, 4 figure

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

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

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