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We investigate the correspondence between a non-equilibrium ensemble defined via the distribution of phase-space paths of a Hamiltonian system, and a system driven into a steady-state by non-equilibrium boundary conditions. To discover whether the non-equilibrium path ensemble adequately describes the physics of a driven system, we measure transition rates in a simple one-dimensional model of rotors with Newtonian dynamics and purely conservative interactions. We compare those rates with known properties of the non-equilibrium path ensemble. In doing so, we establish effective protocols for the analysis of transition rates in non-equilibrium quasi-steady states. Transition rates between potential wells and also between phase-space elements are studied, and found to exhibit distinct properties, the more coarse-grained potential wells being effectively further from equilibrium. In all cases the results from the boundary-driven system are close to the path-ensemble predictions, but the question of equivalence of the two remains open., Comment: 9 pages, 17 figure panels

In terms of the fully relativistic screened Korringa-Kohn-Rostoker method we investigate the effect of stacking faults on the magnetic properties of hexagonal close-packed cobalt. In particular, we consider the formation energy and the effect on the magnetocrystalline anisotropy energy (MAE) of four different stacking faults in hcp cobalt -- an intrinsic growth fault, an intrinsic deformation fault, an extrinsic fault and a twin-like fault. We find that the intrinsic growth fault has the lowest formation energy, in good agreement with previous first-principles calculations. With the exception of the intrinsic deformation fault which has a positive impact on the MAE, we find that the presence of a stacking fault generally reduces the MAE of bulk Co. Finally, we consider a pair of intrinsic growth faults and find that their effect on the MAE is not additive, but synergic., Comment: 13 pages, 6 figures

Within the Free-Volume Asakura-Oosawa-Vrij (FVAO) theory of colloid-polymer mixtures, we show that unphysical gas-liquid binodals predicted in the regime of small attraction range (i.e. polymer size) are caused in part by the use of the Carnahan-Starling (CS) hard sphere (HS) reference free energy. Replacement of the CS expression with an alternative dramatically affects predicted phase behaviour and, for polydisperse colloid, the resultant fractionation predictions. Although short-range attractions render FVAO, as a perturbative HS-based theory, less accurate anyway, we argue that the particular effects of CS in this regime are an important consideration -- usually ignored -- in the evaluation of such theories. We refer to a variety of literature exhibiting similarly inaccurate gas-liquid binodals, and suggest CS's status as the de facto choice of hard sphere reference should be carefully considered where short-range attractions are present., Comment: This paper has been withdrawn following a collaborative investigation of other theories which showed that the conclusions drawn here are important, for practical purposes, only in a small regime of volume fractions

The Local Molecular Field Theory (LMF) developed by Weeks and co-workers has proved successful for treating the structure and thermodynamics of a variety of non-uniform liquids. By reformulating LMF in terms of one-body direct correlation functions we recast the theory in the framework of classical Density Functional Theory (DFT). We show that the general LMF equation for the effective reference potential phi_R follows directly from the standard mean-field DFT treatment of attractive interatomic forces. Using an accurate (Fundamental Measures) DFT for the non-uniform hard-sphere reference fluid we determine phi_R for a hard-core Yukawa liquid adsorbed at a planar hard wall. In the approach to bulk liquid-gas coexistence we find the effective potentials exhibit rich structure that can include damped oscillations at large distances from the wall as well as the repulsive hump near the wall required to generate the low density 'gas' layer characteristic of complete drying. We argue that it would be difficult to obtain the same level of detail from other (non DFT based) implementations of LMF. LMF emphasizes the importance of making an intelligent division of the interatomic pair potential of the full system into a reference part and a remainder that can be treated in mean-field approximation. We investigate different divisions for an exactly solvable one- dimensional model where the pair potential has a hard-core plus a linear attractive tail. Results for the structure factor and the equation of state of the uniform fluid show that including a significant portion of the attraction in the reference system can be much more accurate than treating the full attractive tail in mean-field approximation. We discuss further aspects of the relationship between LMF and DFT., Comment: 35 pages, 10 Figs

We investigate the effect of metastable gas-liquid (G-L) separation on crystal growth in a system of either monodisperse or slightly size-polydisperse square well particles, using a simulation setup that allows us to focus on the growth of a single crystal. Our system parameters are such that, inside the metastable G-L binodal, a macroscopic layer of the gas phase "coats" the crystal as it grows, consistent with experiment and theoretical free energy considerations. Crucially, the effect of this metastable G-L separation on the crystal growth rate depends qualitatively on whether the system is polydisperse. We measure reduced polydispersity and qualitatively different local size ordering in the crystal relative to the fluid, proposing that the required fractionation is dynamically facilitated by the gas layer. Our results show that polydispersity and metastability, both ubiquitous in soft matter, must be considered in tandem if their dynamical effects are to be understood., Comment: Published in Soft Matter. DOI: 10.1039/C3SM27627A

Ultrafast laser-induced magnetic switching in rare earth, transition metal ferrimagnetic alloys has recently been reported to occur by ultrafast heating alone. Using atomistic simulations and a ferrimagnetic Landau-Lifshitz-Bloch formalism, we demonstrate that for switching to occur it is necessary that angular momentum is transferred from the longitudinal to transverse magnetization components. This dynamical path leads to magnetization switching and subsequent ultrafast precession caused by the inter-sublattice exchange field on the nanoscale.

We consider a model fluid with long-ranged, dispersion interparticle potentials confined between competing parallel walls. One wall is solvophilic and would be completely wet at bulk liquid-gas coexistence while the other is solvophobic and would be completely dry at bulk coexistence. When the wall separation L is large and the system is below the bulk critical temperature and close to bulk liquid-gas coexistence, a `delocalized interface' or `soft mode' phase forms with a liquid-gas interface near to the centre of the slit; this interacts with the walls via the power-law tails of the interparticle potentials. We use a coarse-grained effective Hamiltonian approach to derive explicit scaling expressions for the Gibbs adsorption, the surface tension, the solvation force and the total susceptibility. Using a non-local density functional theory (DFT) we calculate density profiles for the asymmetrically confined fluid at different chemical potentials and, for sufficiently large L, confirm the scaling predictions for the four thermodynamic quantities. Since the upper critical dimension for complete wetting with power-law potentials is <3 we argue that our (mean-field) scaling predictions should remain valid in treatments that incorporate the effects of interfacial fluctuations. As the wall separation L is decreased at bulk liquid-gas coexistence we predict a capillary evaporation transition from the `delocalized interface' phase to a dilute gas state with just a thin adsorbed film of liquid-like density next to the solvophilic wall. This transition is connected closely to the first order pre-wetting transition which occurs at the solvophilic wall in the semi-infinite system. We compare the phase diagram for the competing walls system with the phase diagrams for the fluid confined between identical solvophilic and identical solvophobic walls., Comment: 19 pages, 13 figures

The properties of high energy density plasma are under increasing scrutiny in recent years due to their importance to our understanding of stellar interiors, the cores of giant planets$^{1}$, and the properties of hot plasma in inertial confinement fusion devices$^2$. When matter is heated by X-rays, electrons in the inner shells are ionized before the valence electrons. Ionization from the inside out creates atoms or ions with empty internal electron shells, which are known as hollow atoms (or ions)$^{3,4,5}$. Recent advances in free-electron laser (FEL) technology$^{6,7,8,9}$ have made possible the creation of condensed matter consisting predominantly of hollow atoms. In this Letter, we demonstrate that such exotic states of matter, which are very far from equilibrium, can also be formed by more conventional optical laser technology when the laser intensity approaches the radiation dominant regime$^{10}$. Such photon-dominated systems are relevant to studies of photoionized plasmas found in active galactic nuclei and X-ray binaries$^{11}$. Our results promote laser-produced plasma as a unique ultra-bright x-ray source for future studies of matter in extreme conditions as well as for radiography of biological systems and for material science studies$^{12,13,14,15}$.

We study SU(3)-breaking effects in the neutral B_d-\bar B_d and B_s-\bar B_s systems with unquenched N_f=2+1 lattice QCD. We calculate the relevant matrix elements on the MILC collaboration's gauge configurations with asqtad-improved staggered sea quarks. For the valence light-quarks (u, d, and s) we use the asqtad action, while for b quarks we use the Fermilab action. We obtain \xi=f_{B_s}\sqrt{B_{B_s}}/f_{B_d}\sqrt{B_{B_d}}=1.268+-0.063. We also present results for the ratio of bag parameters B_{B_s}/B_{B_d} and the ratio of CKM matrix elements |V_{td}|/|V_{ts}|. Although we focus on the calculation of \xi, the strategy and techniques described here will be employed in future extended studies of the B mixing parameters \Delta M_{d,s} and \Delta\Gamma_{d,s} in the Standard Model and beyond., Comment: 36 pages, 7 figures

Using Kinetic Monte Carlo simulation, we model gas-liquid spinodal decomposition in a size-polydisperse square well fluid, representing a 'near-monodisperse' colloidal dispersion. We find that fractionation (demixing) of particle sizes between the phases begins asserting itself shortly after the onset of phase ordering. Strikingly, the direction of size fractionation can be reversed by a seemingly trivial choice between two inter-particle potentials which, in the monodisperse case, are identical -- we rationalise this in terms of a perturbative, equilibrium theory of polydispersity. Furthermore, our quantitative results show that Kinetic Monte Carlo simulation can provide detailed insight into the role of fractionation in real colloidal systems., Comment: 7 pages, 7 figures, to be published in Phys. Rev. E

We give an update on simulation results for the decay constants f_B, f_{B_s}, f_D and f_{D_s}. These decay constants are important for precision tests of the standard model, in particular entering as inputs to the global CKM unitarity triangle fit. The results presented here make use of the MILC (2+1)-flavor asqtad ensembles, with heavy quarks incorporated using the clover action with the Fermilab method. Partially quenched, staggered chiral perturbation theory is used to extract the decay constants at the physical point. In addition, we give error projections for a new analysis in progress, based on an extended data set., Comment: 7 pages, 2 figures. Proceedings of the XXIX International Symposium on Lattice Field Theory - Lattice 2011, July 10-16, 2011, Squaw Valley, Lake Tahoe, California

We calculate the leptonic decay constants of B_{(s)} and D_{(s)} mesons in lattice QCD using staggered light quarks and Fermilab bottom and charm quarks. We compute the heavy-light meson correlation functions on the MILC asqtad-improved staggered gauge configurations which include the effects of three light dynamical sea quarks. We simulate with several values of the light valence- and sea-quark masses (down to ~m_s/10) and at three lattice spacings (a ~ 0.15, 0.12, and 0.09 fm) and extrapolate to the physical up and down quark masses and the continuum using expressions derived in heavy-light meson staggered chiral perturbation theory. We renormalize the heavy-light axial current using a mostly nonperturbative method such that only a small correction to unity must be computed in lattice perturbation theory and higher-order terms are expected to be small. We obtain f_{B^+} = 196.9(8.9) MeV, f_{B_s} = 242.0(9.5) MeV, f_{D^+} = 218.9(11.3) MeV, f_{D_s} = 260.1(10.8) MeV, and the SU(3) flavor-breaking ratios f_{B_s}/f_{B} = 1.229(26) and f_{D_s}/f_{D} = 1.188(25), where the numbers in parentheses are the total statistical and systematic uncertainties added in quadrature., Comment: 63 pages, 13 figures

Magnetic data storage is pervasive in the preservation of digital information and the rapid pace of computer development requires ever more capacity. Increasing the storage density for magnetic hard disk drives requires a reduced bit size, previously thought to be limited by the thermal stability of the constituent magnetic grains. The limiting storage density in magnetic recording is investigated treating the writing of bits as a thermodynamic process. A 'thermal writability' factor is introduced and it is shown that storage densities will be limited to 15 to 20 TBit/in^2 unless technology can move beyond the currently available write field magnitudes., Comment: Improved manuscript for readability

In anaphora resolution for English, animacy identification can play an integral role in the application of agreement restrictions between pronouns and candidates, and as a result, can improve the accuracy of anaphora resolution systems. In this paper, two methods for animacy identification are proposed and evaluated using intrinsic and extrinsic measures. The first method is a rule-based one which uses information about the unique beginners in WordNet to classify NPs on the basis of their animacy. The second method relies on a machine learning algorithm which exploits a WordNet enriched with animacy information for each sense. The effect of word sense disambiguation on the two methods is also assessed. The intrinsic evaluation reveals that the machine learning method reaches human levels of performance. The extrinsic evaluation demonstrates that animacy identification can be beneficial in anaphora resolution, especially in the cases where animate entities are identified with high precision.

Using a simple density functional theory (DFT) we determine the height of the free energy barrier for forming a droplet of the liquid phase from the metastable gas phase for a model colloidal fluid exhibiting competing interactions. The pair potential has a hard core of diameter {\sigma}, is attractive Yukawa at intermediate separations, and is repulsive Yukawa at large separations. We find that even a very weak long-range repulsive tail in the pair potential has a profound effect on nucleation: increasing the amplitude of the repulsive Yukawa tail reduces significantly the free energy barrier height and therefore increases the liquid droplet nucleation rate. The method we introduce for calculating the droplet density profile and free energy employs a fictitious external potential to stabilize a liquid droplet of the desired size, i.e. with a given excess number of particles. For the critical droplet, corresponding to an extremum of the grand potential, this fictitious potential is everywhere zero. We examine the decay of the droplet density profiles into the bulk gas. For a range of nucleation state points the DFT predicts exponentially damped, long wavelength oscillatory decay for systems exhibiting long-range repulsion, contrasting sharply with the monotonic decay found when the pair potential has only an attractive Yukawa piece. The changes in nucleation properties that we find for small amplitudes of the repulsive Yukawa tail reflect the propensity of the fluid to form modulated structures such as clusters or stripes., Comment: 23 pages, 7 figures

We introduce a constrained Monte Carlo method which allows us to traverse the phase space of a classical spin system while fixing the magnetization direction. Subsequently we show the method's capability to model the temperature dependence of magnetic anisotropy, and for bulk uniaxial and cubic anisotropies we recover the low-temperature Callen-Callen power laws in M. We also calculate the temperature scaling of the 2-ion anisotropy in L10 FePt, and recover the experimentally observed M^2.1 scaling. The method is newly applied to evaluate the temperature dependent effective anisotropy in the presence of the N'eel surface anisotropy in thin films with different easy axis configurations. In systems having different surface and bulk easy axes, we show the capability to model the temperature-induced reorientation transition. The intrinsic surface anisotropy is found to follow a linear temperature behavior in a large range of temperatures.

Microrheology is a branch of rheology having the same principles as conventional bulk rheology, but working on micron length scales and micro-litre volumes. Optical tweezers have been successfully used with Newtonian fluids for rheological purposes such as determining fluid viscosity. Conversely, when optical tweezers are used to measure the viscoelastic properties of complex fluids the results are either limited to the material's high-frequency response, discarding important information related to the low-frequency behavior, or they are supplemented by low-frequency measurements performed with different techniques, often without presenting an overlapping region of clear agreement between the sets of results. We present a simple experimental procedure to perform microrheological measurements over the widest frequency range possible with optical tweezers. A generalised Langevin equation is used to relate the frequency-dependent moduli of the complex fluid to the time-dependent trajectory of a probe particle as it flips between two optical traps that alternately switch on and off., Comment: 13 pages, 6 figures, submitted to Special Issue of the Journal of Optics

We report the non-perturbative tuning of parameters--- kappa_c, kappa_b, and kappa_crit ---that determine the heavy-quark mass in the Fermilab action. This requires the computation of the masses of Ds^(*) and Bs^(*) mesons comprised of a Fermilab heavy quark and a staggered light quark. Additionally, we report the hyperfine splittings for Ds and Bs mesons as a cross-check of our simulation and analysis methods. We find a splitting of 145 +/- 15 MeV for the Ds system and 40 +/- 9 MeV for the Bs system. These are in good agreement with the Particle Data Group average values of 143.9 +/- 0.4 MeV and 46.1 +/- 1.5 MeV, respectively. The calculations are carried out with the MILC 2+1 flavor gauge configurations at three lattice spacings $a$ approximately 0.15, 0.12, and 0.09 fm., Comment: 34 pages, 8 figures, 26 tables; some sections rearranged for clarity; conclusions unchanged; version accepted by Phys. Rev.D

I review a simple method, recently introduced to convert rheological compliance measurements into frequency-dependent moduli. New experimental data are presented, and the scientific implications of various data conversion methods discussed.

In modeling nonequilibrium systems one usually starts with a definition of the microscopic dynamics, e.g., in terms of transition rates, and then derives the resulting macroscopic behavior. We address the inverse question for a class of steady state systems, namely complex fluids under continuous shear flow: how does an externally imposed shear current affect the microscopic dynamics of the fluid? The answer can be formulated in the form of invariant quantities, exact relations for the transition rates in the nonequilibrium steady state, as discussed in a recent letter [A. Baule and R. M. L. Evans, Phys. Rev. Lett. 101, 240601 (2008)]. Here, we present a more pedagogical account of the invariant quantities and the theory underlying them, known as the nonequilibrium counterpart to detailed balance (NCDB). Furthermore, we investigate the relationship between the transition rates and the shear current in the steady state. We show that a fluctuation relation of the Gallavotti-Cohen type holds for systems satisfying NCDB., Comment: 24 pages, 11 figures

We report the complete statistical treatment of a system of particles interacting via Newtonian forces in continuous boundary-driven flow, far from equilibrium. By numerically time-stepping the force-balance equations of a model fluid we measure occupancies and transition rates in simulation. The high-shear-rate simulation data verify the invariant quantities predicted by our statistical theory, thus demonstrating that a class of non-equilibrium steady states of matter, namely sheared complex fluids, is amenable to statistical treatment from first principles., Comment: 4 pages plus a 3-page pdf supplement

We present an experimental procedure to perform broadband microrheological measurements with optical tweezers. A generalised Langevin equation is adopted to relate the time-dependent trajectory of a particle in an imposed flow to the frequency-dependent moduli of the complex fluid. This procedure allows us to measure the material linear viscoelastic properties across the widest frequency range achievable with optical tweezers., Comment: 5 pages, 3 figures

Here we investigate the contribution of surface Alfven wave damping to the heating of the solar wind in minima conditions. These waves are present in regions of strong inhomogeneities in density or magnetic field (e. g., the border between open and closed magnetic field lines). Using a 3-dimensional Magnetohydrodynamics (MHD) model, we calculate the surface Alfven wave damping contribution between 1-4 solar radii, the region of interest for both acceleration and coronal heating. We consider waves with frequencies lower than those that are damped in the chromosphere and on the order of those dominating the heliosphere. In the region between open and closed field lines, within a few solar radii of the surface, no other major source of damping has been suggested for the low frequency waves we consider here. This work is the first to study surface Alfven waves in a 3D environment without assuming a priori a geometry of field lines or magnetic and density profiles. We determine that waves with frequencies >2.8x10^-4 Hz are damped between 1-4 solar radii. In quiet sun regions, surface Alfven waves are damped at further distances compared to active regions, thus carrying additional wave energy into the corona. We compare the surface Alfven wave contribution to the heating by a variable polytropic index and find that it an order of magnitude larger than needed for quiet sun regions. For active regions the contribution to the heating is twenty percent. As it has been argued that a variable gamma acts as turbulence, our results indicate that surface Alfven wave damping is comparable to turbulence in the lower corona. This damping mechanism should be included self consistently as an energy driver for the wind in global MHD models., Comment: Accepted to ApJ (scheduled September '09), 22 pages, 8 figures

Comparisons of lattice-QCD calculations of semileptonic form factors with experimental measurements often display two sets of points, one each for lattice QCD and experiment. Here we propose to display the output of a lattice-QCD analysis as a curve and error band. This is justified, because lattice-QCD results rely in part on fitting, both for the chiral extrapolation and to extend lattice-QCD data over the full physically allowed kinematic domain. To display an error band, correlations in the fit parameters must be taken into account. For the statistical error, the correlation comes from the fit. To illustrate how to address correlations in the systematic errors, we use the Becirevic-Kaidalov parametrization of the D -> pi l nu and D -> K l nu form factors, and a analyticity-based fit for the B -> pi l nu form factor f_+., Comment: 6 pp; v2 conforms with published version (one additional sentence and reference to clarify a point)

We present an update of our calculations of the decay constants of the D, D_s, B, and B_s mesons in unquenched 2+1 flavor QCD. We use the MILC library of improved staggered gauge ensembles at lattice spacings 0.09, 0.12, and 0.15 fm, clover heavy quarks with the Fermilab normalizations, and improved staggered light valence quarks., Comment: 7 pages; based on talked presented by P. Mackenzie at the XXVI International Symposium on Lattice Field Theory, July 14-19 2008, Williamsburg, Virginia, USA

Transition rates in continuously driven steady states were derived in [Evans R M L, 2005 J. Phys. A: Math. Gen. 38, 293] by demanding that no information other than the microscopic laws of motion and the macroscopic observables of the system be used to describe it. In addition to the mean energy at equilibrium, and unlike them, these driven states have a finite throughput of flux. This implies that the (nonequilibrium) reservoir, to which the system is weakly coupled, is fully characterised by its mean energy and mean flux. While we expect the resulting prescription for the rates in continuous and discretised time versions of models of real systems to be equivalent, it is not trivial to see this from the expression for the rates derived previously. We demonstrate this equivalence for a model of activated processes solved previously for continuous time, thus demonstrating consistency of theory., Comment: 3 pages, 3 figures

We remove the need for Laplace/inverse-Laplace transformations of experimental data, by presenting a direct and straightforward mathematical procedure for obtaining frequency-dependent storage and loss moduli ($G'(\omega)$ and $G"(\omega)$ respectively), from time-dependent experimental measurements. The procedure is applicable to ordinary rheological creep (stress-step) measurements, as well as all microrheological techniques, whether they access a Brownian mean-square displacement, or a forced compliance. Data can be substituted directly into our simple formula, thus eliminating traditional fitting and smoothing procedures that disguise relevant experimental noise., Comment: 4 pages