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We present the results of the first Charged-Particle Transport Coefficient Code Comparison Workshop, which was held in Albuquerque, NM October 4-6, 2016. In this first workshop, scientists from eight institutions and four countries gathered to compare calculations of transport coefficients including thermal and electrical conduction, electron-ion coupling, inter-ion diffusion, ion viscosity, and charged particle stopping powers. Here, we give general background on Coulomb coupling and computational expense, review where some transport coefficients appear in hydrodynamic equations, and present the submitted data. Large variations are found when either the relevant Coulomb coupling parameter is large or computational expense causes difficulties. Understanding the general accuracy and uncertainty associated with such transport coefficients is important for quantifying errors in hydrodynamic simulations of inertial confinement fusion and high-energy density experiments., Comment: 45 pages, 17 figures

A new model for the electrical conductivity of dense plasmas with a mixture of ion species, containing no adjustable parameters, is presented. The model takes the temperature, mass density and relative abundances of the species as input. It takes into account partial ionization, ionic structure, and core-valence orthogonality, and uses quantum mechanical calculations of cross sections. Comparison to an existing high fidelity but computationally expensive method reveals good agreement. The new model is computationally efficient and can reach high temperatures. A new mixing rule is also presented that gives reasonably accurate conductivities for high temperature plasma mixtures.

A new Sesame-type table for the electrical conductivity of aluminum is described. The table is based on density functional theory calculations and ranges from 0.001 to 1 times solid density (2.7 g/cm^3 ), and from 0.01 to 1000 eV in temperature. The table is compared to other simulations and to experiments and is generally in good agreement. The high temperature, classical limit of the conductivity is recovered for the highest temperatures and lowest densities. The table is critically evaluated and directions for improvements are discussed.

In the present work, we explore the existence, stability and dynamics of single and multiple vortex ring states that can arise in Bose-Einstein condensates. Earlier works have illustrated the bifurcation of such states, in the vicinity of the linear limit, for isotropic or anisotropic three-dimensional harmonic traps. Here, we extend these states to the regime of large chemical potentials, the so-called Thomas-Fermi limit, and explore their properties such as equilibrium radii and inter-ring distance, for multi-ring states, as well as their vibrational spectra and possible instabilities. In this limit, both the existence and stability characteristics can be partially traced to a particle picture that considers the rings as individual particles oscillating within the trap and interacting pairwise with one another. Finally, we examine some representative instability scenarios of the multi-ring dynamics including breakup and reconnections, as well as the transient formation of vortex lines., Comment: 10 pages, 8 figures

Shock compression of silicon (Si) under extremely high pressures (>100 Mbar) was investigated by using two first-principles methods of orbital-free molecular dynamics (OFMD) and path integral Monte Carlo (PIMC). While pressures from the two methods agree very well, PIMC predicts a second compression maximum because of 1s electron ionization that is absent in OFMD calculations since Thomas-Fermi-based theories lack shell structure. The Kohn-Sham density functional theory is used to calculate the equation of state (EOS) of warm dense silicon for low-pressure loadings (P < 100 Mbar). Combining these first-principles EOS results, the principal shock Hugoniot curve of silicon for pressures varying from 1 Mbar to above 10 Gbar was derived. We find that silicon is 20% or more softer than what was predicted by widely-used EOS models. Existing high-pressure experimental data (P = 1 - 2 Mbar) seem to indicate this softening behavior of Si, which calls for future strong-shock experiments (P > 10 Mbar) to benchmark our results., Comment: 30 pages, 6 figures

Performing a systematic Bogoliubov-de Gennes spectral analysis, we illustrate that stationary vortex lines, vortex rings and more exotic states, such as hopfions, are robust in three-dimensional atomic Bose-Einstein condensates, for large parameter intervals. Importantly, we find that the hopfion can be stabilized in a simple parabolic trap, without the need for trap rotation or inhomogeneous interactions. We supplement our spectral analysis by studying the dynamics of such stationary states; we find them to be robust against significant perturbations of the initial state. In the unstable regimes, we not only identify the unstable mode, such as a quadrupolar or hexapolar mode, but we also observe the corresponding instability dynamics. Furthermore, deep in the Thomas-Fermi regime, we investigate the particle-like behavior of vortex rings and hopfions., Comment: 7 pages, 7 figures

In the present work, we investigate how single- and multi-vortex-ring states can emerge from a planar dark soliton in three-dimensional (3D) Bose-Einstein condensates (confined in isotropic or anisotropic traps) through bifurcations. We characterize such bifurcations quantitatively using a Galerkin-type approach, and find good qualitative and quantitative agreement with our Bogoliubov-de Gennes (BdG) analysis. We also systematically characterize the BdG spectrum of the dark solitons, using perturbation theory, and obtain a quantitative match with our 3D BdG numerical calculations. We then turn our attention to the emergence of single- and multi-vortex-ring states. We systematically capture these as stationary states of the system and quantify their BdG spectra numerically. We find that although the vortex ring may be unstable when bifurcating, its instabilities weaken and may even eventually disappear, for sufficiently large chemical potentials and suitable trap settings. For instance, we demonstrate the stability of the vortex ring for an isotropic trap in the large chemical potential regime., Comment: 14 pages, 9 figures

A recent and unexpected discrepancy between \textit{ab initio} simulations and the interpretation of a laser shock experiment on aluminum, probed by X-ray Thomson scattering (XRTS), is addressed. The ion-ion structure factor deduced from the XRTS elastic peak (ion feature) is only compatible with a strongly coupled out-of-equilibrium state. Orbital free molecular dynamics simulations with ions colder than the electrons are employed to interpret the experiment. The relevance of decoupled temperatures for ions and electrons is discussed. The possibility that it mimics a transient, or metastable, out-of-equilibrium state after melting is also suggested., Comment: 12 pages, 3 figures

We show that the correlation dynamics in coherently excited doubly excited resonances of helium can be followed in real time by two-photon interferometry. This approach promises to map the evolution of the two-electron wave packet onto experimentally easily accessible non-coincident single electron spectra. We analyze the interferometric signal in terms of a semi-analytical model which is validated by a numerical solution of the time-dependent two-electron Schr\"odinger equation in its full dimensionality., Comment: 5 pages, 4 figures

We analyze two-photon double ionization of helium in both the nonsequential and sequential regime. We show that the energy spacing between the two emitted electrons provides the key parameter that controls both the energy and the angular distribution and reveals the universal features present in both the nonsequential and sequential regime. This universality, i.e., independence of photon energy, is a manifestation of the continuity across the threshold for sequential double ionization. For all photon energies, the energy distribution can be described by a universal shape function that contains only the spectral and temporal information entering second-order time-dependent perturbation theory. Angular correlations and distributions are found to be more sensitive to the photon energy. In particular, shake-up interferences have a large effect on the angular distribution. Energy spectra, angular distributions parameterized by the anisotropy parameters, and total cross sections presented in this paper are obtained by fully correlated time-dependent ab initio calculations., Comment: 12 pages, 8 figures

We study the instability of a superfluid flow through a constriction in three spatial dimensions. We consider a Bose-Einstein condensate at zero temperature in two different geometries: a straight waveguide and a torus. The constriction consists of a broad, repulsive penetrable barrier. In the hydrodynamic regime, we find that the flow becomes unstable as soon as the velocity at the classical (Thomas-Fermi) surface equals the sound speed inside the constriction. At this critical point, vortex rings enter inside the bulk region of the cloud. The nucleation and dynamics scenario is strongly affected by the presence of asymmetries in the velocity and density of the background condensate flow., Comment: 16 pages, 9 figures

We study the current-phase relation of a Bose-Einstein condensate flowing through a repulsive square barrier by solving analytically the one dimensional Gross-Pitaevskii equation. The barrier height and width fix the current-phase relation $j(\delta\phi)$, which tends to $j\sim\cos(\delta\phi/2)$ for weak barriers and to the Josephson sinusoidal relation $j\sim\sin(\delta\phi)$ for strong barriers. Between these two limits, the current-phase relation depends on the barrier width. In particular, for wide enough barriers, we observe two families of multivalued current-phase relations. Diagrams belonging to the first family, already known in the literature, can have two different positive values of the current at the same phase difference. The second family, new to our knowledge, can instead allow for three different positive currents still corresponding to the same phase difference. Finally, we show that the multivalued behavior arises from the competition between hydrodynamic and nonlinear-dispersive components of the flow, the latter due to the presence of a soliton inside the barrier region., Comment: 6 pages, 5 figures

We study superfluid dissipation due to phase slips for a BEC flowing through a repulsive barrier inside a torus. The barrier is adiabatically raised across the annulus while the condensate flows with a finite quantized angular momentum. At a critical height, a vortex moves from the inner region and reaches the barrier to eventually circulate around the annulus. At a higher critical height, an anti-vortex also enters into the torus from the outer region. Both vortex and anti-vortex decrease the total angular momentum by leaving behind a $2\pi$ phase slip. When they collide and annihilate or orbit along the same loop, the condensate suffers a global $2\pi$ phase slip, and the total angular momentum decreases by one quantum. In hydrodynamic regime, the instability sets in when the local superfluid velocity equals the sound speed inside the barrier region., Comment: Updated version. A discussion of an analytic criterion for the instability of the superfluid is added. The case of vortex anti-vortex annihilation is also added to the presented results of the numerical simulations

Recent experimental developments of high-intensity, short-pulse XUV light sources are enhancing our ability to study electron-electron correlations. We perform time-dependent calculations to investigate the so-called "sequential" regime (photon energy above 54.4 eV) in the two-photon double ionization of helium. We show that attosecond pulses allow to induce and probe angular and energy correlations of the emitted electrons. The final momentum distribution reveals regions dominated by the Wannier ridge break-up scenario and by post-collision interaction., Comment: 4 pages, 5 figures

We present accurate time-dependent ab initio calculations on fully differential and total integrated (generalized) cross sections for the nonsequential two-photon double ionization of helium at photon energies from 40 to 54 eV. Our computational method is based on the solution of the time-dependent Schroedinger equation and subsequent projection of the wave function onto Coulomb waves. We compare our results with other recent calculations and discuss the emerging similarities and differences. We investigate the role of electronic correlation in the representation of the two-electron continuum states, which are used to extract the ionization yields from the fully correlated final wave function. In addition, we study the influence of the pulse length and shape on the cross sections in time-dependent calculations and address convergence issues., Comment: 14 pages, 10 figures; final version (acknowledgements and reference added, typos fixed)

Full, three dimensional, time-dependent simulations are presented demonstrating the quantized transfer of angular momentum to a Bose-Einstein condensate from a laser carrying orbital angular momentum in a Laguerre-Gaussian mode. The process is described in terms of coherent Bragg scattering of atoms from a chiral optical lattice. The transfer efficiency and the angular momentum content of the output coupled vortex state are analyzed and compared with a recent experiment., Comment: 4 pages, 4 figures

We study the density modulation that appears in a Bose-Einstein condensate flowing with supersonic velocity against an obstacle. The experimental density profiles observed at JILA are reproduced by a numerical integration of the Gross-Pitaevskii equation and then interpreted in terms of Cerenkov emission of Bogoliubov excitations by the defect. The phonon and the single-particle regions of the Bogoliubov spectrum are respectively responsible for a conical wavefront and a fan-shaped series of precursors.

A beam splitter is an important component of an atomic/optical Mach-Zehnder interferometer. Here we study a Bose Einstein Condensate beam splitter, realized with a double well potential of tunable height. We analyze how the sensitivity of a Mach Zehnder interferometer is degraded by the non-linear particle-particle interaction during the splitting dynamics. We distinguish three regimes, Rabi, Josephson and Fock, and associate to them a different scaling of the phase sensitivity with the total number of particles., Comment: draft, 19 pages, 10 figures

We study the quantum dynamics of a BEC condensate trapped in a double-well potential with a rising interwell barrier. We analytically find the characteristic time scales of the splitting process and compare our results with numerical analyses available in the literature. In first stage of the dynamics, the condensate follows adiabatically the rising of the interwell barrier. At a critical time $t_{ad}$, small amplitude fluctuations around the average trajectory increase exponentially fast, signaling the break-down of adiabaticity. We have found a highly non-trivial dependence of the dephasing time $t_D$, defined by $\sigma_{\phi}(t_D)=1$, where $\sigma_{\phi}(t)$ is the dynamical quantum phase spreading, on $t_{ad}$ and on the ramping time of the interwell barrier.

A Bose-Einstein "double-slit" interferometer has been recently realized experimentally by (Y. Shin et. al., Phys. Rev. Lett. 92 50405 (2004)). We analyze the interferometric steps by solving numerically the time-dependent Gross-Pitaevski equation in three-dimensional space. We focus on the adiabaticity time scales of the problem and on the creation of spurious collective excitations as a possible source of the strong dephasing observed experimentally. The role of quantum fluctuations is discussed., Comment: 4 pages, 3 figures

We present the first large-scale simulations of an ultracold, neutral plasma, produced by photoionization of laser-cooled xenon atoms, from creation to initial expansion, using classical molecular dynamics methods with open boundary conditions. We reproduce many of the experimental findings such as the trapping efficiency of electrons with increased ion number, a minimum electron temperature achieved on approach to the photoionization threshold, and recombination into Rydberg states of anomalously-low principal quantum number. In addition, many of these effects establish themselves very early in the plasma evolution ($\sim$ ns) before present experimental observations begin., Comment: 4 pages, 3 figures, submitted to PRL

We calculate the equation of state of dense deuterium with two ab initio simulations techniques, path integral Monte Carlo and density functional theory molecular dynamics, in the density range of 0.67 < rho < 1.60 g/cc. We derive the double shock Hugoniot and compare with the recent laser-driven double shock wave experiments by Mostovych et al. [1]. We find excellent agreement between the two types of microscopic simulations but a significant discrepancy with the laser-driven shock measurements., Comment: accept for publication in Phys. Rev. Lett., Nov. 2001, 4 pages, 4 figures

We have created spatial dark solitons in two-component Bose-Einstein condensates in which the soliton exists in one of the condensate components and the soliton nodal plane is filled with the second component. The filled solitons are stable for hundreds of milliseconds. The filling can be selectively removed, making the soliton more susceptible to dynamical instabilities. For a condensate in a spherically symmetric potential, these instabilities cause the dark soliton to decay into stable vortex rings. We have imaged the resulting vortex rings., Comment: 4 pages, 4 figures

Dark soliton states of Bose-Einstein condensates in harmonic traps are studied both analytically and computationally by the direct solution of the Gross-Pitaevskii equation in three dimensions. The ground and self-consistent excited states are found numerically by relaxation in imaginary time. The energy of a stationary soliton in a harmonic trap is shown to be independent of density and geometry for large numbers of atoms. Large amplitude field modulation at a frequency resonant with the energy of a dark soliton is found to give rise to a state with multiple vortices. The Bogoliubov excitation spectrum of the soliton state contains complex frequencies, which disappear for sufficiently small numbers of atoms or large transverse confinement. The relationship between these complex modes and the snake instability is investigated numerically by propagation in real time., Comment: 11 pages, 8 embedded figures (two in color)