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We propose a method for amplifying a train of sub-femtosecond pulses of circularly or elliptically polarized extreme ultraviolet (XUV) radiation constituted by high-order harmonics of an infrared (IR) laser field, in a neon-like active medium of a plasma-based X-ray laser, additionally irradiated with a replica of a fundamental frequency IR field. It is shown that the ellipticity of the pulses can be maintained or increased during the amplification process. The experimental implementation is suggested in an active medium of an X-ray laser based on neon-like Ti^{12+} ions irradiated by an IR laser field with a wavelength of 3.9 microns., Comment: 9 pages, 3 figures

In [I.R. Khairulin et al., submitted to Phys. Rev. Lett.] we propose a method for amplifying a train of sub-femtosecond pulses of circularly or elliptically polarized extreme ultraviolet (XUV) radiation, constituted by high-order harmonics of an infrared (IR) laser field, in a neon-like active medium of a plasma-based X-ray laser, additionally irradiated with a replica of a fundamental frequency laser field used to generate harmonics, and show the possibility of maintaining or enhancing the ellipticity of high-harmonic radiation during its amplification. In the present paper we describe this process in detail both for a single harmonic component and a sub-femtosecond pulse train formed by a set of harmonics. We derive the analytical theory and describe both analytically and numerically the evolution of the high-harmonic field during its propagation through the medium. We discuss also the possibility of an experimental implementation of the suggested technique in an active medium of an X-ray laser based on neon-like Ti^{12+} ions irradiated by an IR laser field with a wavelength of 3.9 microns., Comment: 41 pages, 18 figures

Direct pore scale simulations of two-fluid flow on digital rock images provide a promising tool to understand the role of surface wetting phenomena on flow and transport in geologic reservoirs. We present computational protocols that mimic conventional special core analysis laboratory (SCAL) experiments, which are implemented within the open source LBPM software package. Protocols are described to simulate unsteady displacement, steady-state flow at fixed saturation, and to mimic centrifuge experiments. These methods can be used to infer relative permeability and capillary curves, and otherwise understand two-fluid flow behavior based on first principles. Morphological tools are applied to assess image resolution, establish initial conditions, and instantiate surface wetting maps based on the distribution of fluids. Internal analysis tools are described that measure essential aspects of two-fluid flow, including fluid connectivity and surface measures, which are used to track transient aspects of the flow behavior as they occur during simulation. Computationally efficient workflows are developed by combining these components with a two-fluid lattice Boltzmann model to define hybrid methods that can accelerate computations by using morphological tools to incrementally evolve the pore-scale fluid distribution. We show that the described methods can be applied to recover expected trends due to the surface wetting properties based on flow simulation in Benntheimer sandstone.

Models that describe two-fluid flow in porous media suffer from a widely-recognized problem that the constitutive relationships used to predict capillary pressure as a function of the fluid saturation are non-unique, thus requiring a hysteretic description. As an alternative to the traditional perspec- tive, we consider a geometrical description of the capillary pressure, which relates the average mean curvature, the fluid saturation, the interfacial area between fluids, and the Euler characteristic. The state equation is formulated using notions from algebraic topology and cast in terms of measures of the macroscale state. Synchrotron-based X-ray micro-computed tomography ({\mu}CT) and high- resolution pore-scale simulation is applied to examine the uniqueness of the proposed relationship for six different porous media. We show that the geometric state function is able to characterize the microscopic fluid configurations that result from a wide range of simulated flow conditions in an averaged sense. The geometric state function can serve as a closure relationship within macroscale models to effectively remove hysteretic behavior attributed to the arrangement of fluids within a porous medium. This provides a critical missing component needed to enable a new generation of higher fidelity models to describe two-fluid flow in porous media.

QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wave functions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit (CPU) and graphical processing unit (GPU) systems. We detail the program's capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://www.qmcpack.org .

This paper describes an efficient and nonlinearly consistent parallel solution methodology for solving coupled nonlinear thermal transport problems that occur in nuclear reactor applications over hundreds of individual 3D physical subdomains. Efficiency is obtained by leveraging knowledge of the physical domains, the physics on individual domains, and the couplings between them for preconditioning within a Jacobian Free Newton Krylov method. Details of the computational infrastructure that enabled this work, namely the open source Advanced Multi-Physics (AMP) package developed by the authors is described. Details of verification and validation experiments, and parallel performance analysis in weak and strong scaling studies demonstrating the achieved efficiency of the algorithm are presented. Furthermore, numerical experiments demonstrate that the preconditioner developed is independent of the number of fuel subdomains in a fuel rod, which is particularly important when simulating different types of fuel rods. Finally, we demonstrate the power of the coupling methodology by considering problems with couplings between surface and volume physics and coupling of nonlinear thermal transport in fuel rods to an external radiation transport code.

The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multiphysics systems: implicit time integration for efficient long term time integration of stiff multiphysics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

Block iterative methods are extremely important as smoothers for multigrid methods, as preconditioners for Krylov methods, and as solvers for diagonally dominant linear systems. Developing robust and efficient algorithms suitable for current and evolving GPU and multicore CPU systems is a significant challenge. We address this issue in the case of constant-coefficient stencils arising in the solution of elliptic partial differential equations on structured 3D uniform and adaptively refined grids. Robust, highly parallel implementations of block Jacobi and chaotic block Gauss-Seidel algorithms with exact inversion of the blocks are developed using different parallelization techniques. Experimental results for NVIDIA Fermi GPUs and AMD multicore systems are presented., Comment: Submitted to Journal of Parallel and Distributed Computing