Featured Researches

Computational Physics

Comparison of ablators for the polar direct drive exploding pusher platform

We examine the performance of pure boron, boron carbide, high density carbon, and boron nitride ablators in the polar direct drive exploding pusher (PDXP) platform. The platform uses the polar direct drive configuration at the National Ignition Facility to drive high ion temperatures in a room temperature capsule and has potential applications for plasma physics studies and as a neutron source. The higher tensile strength of these materials compared to plastic enables a thinner ablator to support higher gas pressures, which could help optimize its performance for plasma physics experiments, while ablators containing boron enable the possiblity of collecting addtional data to constrain models of the platform. Applying recently developed and experimentally validated equation of state models for the boron materials, we examine the performance of these materials as ablators in 2D simulations, with particular focus on changes to the ablator and gas areal density, as well as the predicted symmetry of the inherently 2D implosion.

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Computational Physics

Comparison of integral equations for the Maxwell transmission problem with general permittivities

Two recently derived integral equations for the Maxwell transmission problem are compared through numerical tests on simply connected axially symmetric domains for non-magnetic materials. The winning integral equation turns out to be entirely free from false eigenwavenumbers for any passive materials, also for purely negative permittivity ratios and in the static limit, as well as free from false essential spectrum on non-smooth surfaces. It also appears to be numerically competitive to all other available integral equation reformulations of the Maxwell transmission problem, despite using eight scalar surface densities.

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Computational Physics

Comparison of the performance of high-order schemes based on the gas-kinetic and HLLC fluxes

In this paper, a comparison of the performance of two high-order finite volume methods based on the gas-kinetic scheme (GKS) and HLLC fluxes is carried out in structured rectangular mesh. For both schemes, the fifth-order WENO-AO reconstruction is adopted to achieve a high-order spatial accuracy. In terms of temporal discretization, a two-stage fourth-order (S2O4) time marching strategy is adopted for WENO5-AO-GKS scheme, and the fourth-order Runge-Kutta (RK4) method is employed for WENO5-AO-HLLC scheme. For the viscous flow computation, the GKS includes both inviscid and viscous fluxes in the evolution of a single cell interface gas distribution function. While for the WENO5-AO-HLLC scheme, the inviscid flux is provided by HLLC Riemann solver, and the viscous flux is discretized by a sixth-order central difference method. Based on the tests of forward Mach step and viscous shock tube, both schemes show outstanding shock capturing property. From the Titarev-Toro and double shear layer tests, WENO5-AO-GKS scheme seems to have a better resolution than WENO5-AO-HLLC scheme. Both schemes show excellent robustness in extreme cases, such as the Le Blanc problem. From the cases of the Noh problem and the compressible isotropic turbulence, WENO5-AO-GKS scheme shows favorite robustness. In the compressible isotropic turbulence and three-dimensional Taylor-Green vortex problems, WENO-AO-GKS can use a CFL number up to 0.5, instead of 0.3 for WENO5-AO-HLLC. In terms of computational efficiency, WENO5-AO-HLLC scheme is about 27% more expensive than WENO5-AO-GKS scheme in the two-dimensional viscous flow problems, but is about 15% faster in the three-dimensional case. Due to the multi-dimensionality, WENO5-AO-GKS scheme performs better than WENO5-AO-HLLC scheme in the laminar boundary layer and the double shear layer test.

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Computational Physics

Compressible lattice Boltzmann methods with adaptive velocity stencils: An interpolation-free formulation

Adaptive lattice Boltzmann methods (LBMs) are based on velocity discretizations that self-adjust to local macroscopic conditions such as velocity and temperature. While this feature improves the accuracy and the stability of LBMs for large velocity and temperature fluctuations, it also strongly impacts the efficiency of the algorithm due to space interpolations that are required to get populations at grid nodes. To avoid this defect, the present work proposes new formulations of adaptive LBMs for the simulation of compressible flows which do not rely anymore on space interpolations, hence, drastically improving their parallel efficiency for the simulation of high-speed compressible flows. To reach this goal, the adaptive phase discretization is restricted to particular states that are compliant with the efficient "collide and stream" algorithm, and as a consequence it does not require additional interpolation steps. The development of proper state-adaptive solvers with on-grid propagation imposes new restrictions and challenges on the discrete stencils, namely the need for an extended operability range allowing for the transition between two phase discretizations. Achieving the minimum operability range for discrete polynomial equilibria requires rather large stencils (e.g. D2Q81, D2Q121) and is therefore not competitive for compressible flow simulations. However, as shown in the article, the use of numerical equilibria can provide for overlaps in the operability ranges of neighboring discrete shifts at acceptable cost using the D2Q21 lattice. Through several numerical validations, the present approach is shown to allow for an efficient realization of discrete state-adaptive LBMs for high Mach number flows even in the low viscosity regime.

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Computational Physics

Computational General Relativistic Force-Free Electrodynamics: I. Multi-Coordinate Implementation and Testing

General relativistic force-free electrodynamics is one possible plasma-limit employed to analyze energetic outflows in which strong magnetic fields are dominant over all inertial phenomena. The amazing images of black hole shadows from the galactic center and the M87 galaxy provide a first direct glimpse into the physics of accretion flows in the most extreme environments of the universe. The efficient extraction of energy in the form of collimated outflows or jets from a rotating BH is directly linked to the topology of the surrounding magnetic field. We aim at providing a tool to numerically model the dynamics of such fields in magnetospheres around compact objects, such as black holes and neutron stars. By this, we probe their role in the formation of high energy phenomena such as magnetar flares and the highly variable teraelectronvolt emission of some active galactic nuclei. In this work, we present numerical strategies capable of modeling fully dynamical force-free magnetospheres of compact astrophysical objects. We provide implementation details and extensive testing of our implementation of general relativistic force-free electrodynamics in Cartesian and spherical coordinates using the infrastructure of the Einstein Toolkit. The employed hyperbolic/parabolic cleaning of numerical errors with full general relativistic compatibility allows for fast advection of numerical errors in dynamical spacetimes. Such fast advection of divergence errors significantly improves the stability of the general relativistic force-free electrodynamics modeling of black hole magnetospheres.

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Computational Physics

Computational General Relativistic Force-Free Electrodynamics: II. Characterization of Numerical Diffusivity

Scientific codes are an indispensable link between theory and experiment; in (astro-)plasma physics, such numerical tools are one window into the universe's most extreme flows of energy. The discretization of Maxwell's equations - needed to make highly magnetized (astro)physical plasma amenable to its numerical modeling - introduces numerical diffusion. It acts as a source of dissipation independent of the system's physical constituents. Understanding the numerical diffusion of scientific codes is the key to classify their reliability. It gives specific limits in which the results of numerical experiments are physical. We aim at quantifying and characterizing the numerical diffusion properties of our recently developed numerical tool for the simulation of general relativistic force-free electrodynamics, by calibrating and comparing it with other strategies found in the literature. Our code correctly models smooth waves of highly magnetized plasma. We evaluate the limits of general relativistic force-free electrodynamics in the context of current sheets and tearing mode instabilities. We identify that the current parallel to the magnetic field ( j ∥ ), in combination with the break-down of general relativistic force-free electrodynamics across current sheets, impairs the physical modeling of resistive instabilities. We find that at least eight numerical cells per characteristic size of interest (e.g. the wavelength in plasma waves or the transverse width of a current sheet) are needed to find consistency between resistivity of numerical and of physical origins. High-order discretization of the force-free current allows us to provide almost ideal orders of convergence for (smooth) plasma wave dynamics. The physical modeling of resistive layers requires suitable current prescriptions or a sub-grid modeling for the evolution of j ∥ .

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Computational Physics

Computing volume fractions and signed distances from triangulated surfaces immersed in unstructured meshes

Available algorithms for the initialization of volume fractions typically utilize exact functions to model fluid interfaces, or they rely on computationally costly intersections between volume meshes. Here, a new algorithm is proposed that computes signed distances and volume fractions on unstructured meshes from arbitrarily shaped surfaces, e.g. originating from experimental data. The proposed algorithm calculates signed distances geometrically near the fluid interface, approximated as a triangle surface mesh, and propagates the inside/outside information by an approximate solution of a Laplace equation. Volume fractions are computed based on signed distances, using either geometrical intersections between cells of the unstructured mesh and a sub-set of the surface mesh that represents the interface, or using a polynomial approximation and adaptive mesh refinement. Although primarily developed for multiphase flow simulations, the proposed algorithm can potentially be used for other problems that require a phase-indicator: inside/outside information with respect to an arbitrarily shaped surface on arbitrarily unstructured meshes.

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Computational Physics

Construction of a minimum energy path for the VT flash model by an exponential time differencing scheme with the string method

Phase equilibrium calculation, also known as flash calculation, plays significant roles in various aspects of petroleum and chemical industries. Since Michelsen proposed his milestone studies in 1982, through several decades of development, the current research interest on flash calculation has been shifted from accuracy to efficiency, but the ultimate goal remains the same focusing on estimation of the equilibrium phase amounts and phase compositions under the given variable specification. However, finding the transition route and its related saddle points are very often helpful to study the evolution of phase change and partition. Motivated by this, in this study we apply the string method to find the minimum energy paths and saddle points information of a single-component VT flash model with the Peng-Robinson equation of state. As the system has strong stiffness, common ordinary differential equation solvers have their limitations. To overcome these issues, a Rosenbrock-type exponential time differencing scheme is employed to reduce the computational difficulty caused by the high stiffness of the investigated system. In comparison with the published results and experimental data, the proposed numerical algorithm not only shows good feasibility and accuracy on phase equilibrium calculation, but also successfully calculates the minimum energy path and and saddle point of the single-component VT flash model with strong stiffness.

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Computational Physics

Coupled nuclear and electron dynamics in the vicinity of a conical intersection

Ultrafast optical techniques allow to study ultrafast molecular dynamics involving both nuclear and electronic this http URL support interpretation, theoretical approaches are needed that can describe both the nuclear and electron dynamics.Hence, we revisit and expand our ansatz for the coupled description of the nuclear and electron dynamics in molecular systems (NEMol). In this purely quantum mechanical ansatz the quantum-dynamical description of the nuclear motion is combined with the calculation of the electron dynamics in the eigenfunction basis. The NEMol ansatz is applied to simulate the coupled dynamics of the molecule NO2 in the vicinity of a conical intersection (CoIn) with a special focus on the coherent electron dynamics induced by the non-adiabatic coupling. Furthermore, we aim to control the dynamics of the system when passing the CoIn. The control scheme relies on the carrier envelope phase (CEP) of a few-cycle IR pulse. The laser pulse influences both the movement of the nuclei and the electrons during the population transfer through the CoIn.

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Computational Physics

Cubature rules for weakly and fully compressible off-lattice Boltzmann methods

Off-lattice Boltzmann methods increase the flexibility and applicability of lattice Boltzmann methods by decoupling the discretizations of time, space, and particle velocities. However, the velocity sets that are mostly used in off-lattice Boltzmann simulations were originally tailored to on-lattice Boltzmann methods. In this contribution, we show how the accuracy and efficiency of weakly and fully compressible semi-Lagrangian off-lattice Boltzmann simulations is increased by velocity sets derived from cubature rules, i.e. multivariate quadratures, which have not been produced by the Gauss-product rule. In particular, simulations of 2D shock-vortex interactions indicate that the cubature-derived degree-nine D2Q19 velocity set is capable to replace the Gauss-product rule-derived D2Q25. Likewise, the degree-five velocity sets D3Q13 and D3Q21, as well as a degree-seven D3V27 velocity set were successfully tested for 3D Taylor-Green vortex flows to challenge and surpass the quality of the customary D3Q27 velocity set. In compressible 3D Taylor-Green vortex flows with Mach numbers Ma={0.5;1.0;1.5;2.0} on-lattice simulations with velocity sets D3Q103 and D3V107 showed only limited stability, while the off-lattice degree-nine D3Q45 velocity set accurately reproduced the kinetic energy provided by literature.

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