Approximate Inverse Preconditioners for Some Large Dense Random Electrostatic Interaction Matrices

A sparse mesh-neighbour based approximate inverse preconditioner is proposed for a type of dense matrices whose entries come from the evaluation of a slowly decaying free space Green’s function at randomly placed points in a unit cell. By approximating distant potential fields originating at closely spaced sources in a certain way, the preconditioner is given properties similar to, or better than, those of a standard least squares approximate inverse preconditioner while its setup cost is only that of a diagonal block approximate inverse preconditioner. Numerical experiments on iterative solutions of linear systems with up to four million unknowns illustrate how the new preconditioner drastically outperforms standard approximate inverse preconditioners of otherwise similar construction, and especially so when the preconditioners are very sparse. AMS subject classification (2000) 65F10, 65R20, 65F35, 78A30     

Transport of Neutrally Buoyant and Dense Variably Sized Colloids in a Two-Dimensional Fracture with Anisotropic Aperture

The transport of monodisperse as well as polydisperse colloid suspensions in a two-dimensional, water saturated fracture with spatially variable and anisotropic aperture is investigated with a particle tracking model. Both neutrally buoyant and dense colloid suspensions are considered. Although flow and transport in fractured subsurface formations have been studied extensively by numerous investigators, the transport of dense, polydisperse colloid suspensions in a fracture with spatially variable and anisotropic aperture has not been previously explored. Simulated snapshots and breakthrough curves of ensemble averages of several realizations of a log-normally distributed aperture field show that polydisperse colloids exhibit greater spreading than monodisperse colloids, and dense colloids show greater retardation than neutrally buoyant colloids. Moreover, it is demonstrated that aperture anisotropy oriented along the flow direction substantially increases colloid spreading; whereas, aperture anisotropy oriented transverse to the flow direction retards colloid movement.     

Variational Average-Atom in Quantum Plasmas (VAAQP) – Recent progress, virial theorem and applications to the equation-of-state of warm dense Be

The Variational Average-Atom in Quantum Plasmas (VAAQP) code is based on a fully variational theory of dense plasmas in equilibrium in which the neutrality of the Wigner-Seitz ion sphere is not required, contrary to the Inferno model. We report on some recent progress in the VAAQP model and numerical code. Three important points of the virial theorem derivation are emphasized and explained. The virial theorem is also used as an important tool allowing us to check the formulas and numerical methods used in the code. Applications of the VAAQP code are shown using as an example the equation-of-state of beryllium in the warm dense matter regime. Comparisons with the Inferno model, and with available experimental data on the principal Hugoniot are also presented.     

Simulation of absorption of femtosecond laser pulses in solid-density copper

We present a simulation of absorption of femtosecond laser pulses by a copper target. The modeling involved thermodynamic functions calculated by using a first-principles full-potential linear muffin-tin orbital method and chemical-picture-based model of dense plasma utilizing a superconfiguration approach. The results of the simulation are compared to experimental and other theoretical data. The role of the electron-ion energy exchange is analyzed and further work on detailed improvement of the presented theoretical model is discussed.