We present a summary of recent progress on the development and application of adaptive mesh refinement algorithms for low Mach number reacting flows. Our approach uses a form of the low Mach number equations based on a general equation of state that discretely conserves both mass and energy. The discretization methodology is based on a robust projection formulation that accommodates large density contrasts. The algorithm supports modeling of multicomponent systems and incorporates an operator-split treatment of stiff reaction terms. The basic computational approach is embedded in an adaptive projection framework that uses structured hierarchical grids with subcycling in time that preserves the discrete conservation properties of the underlying single-grid algorithm. We present numerical examples illustrating the application of the methodology to turbulent premixed combustion and nuclear flames in type Ia supernovae.

The problem of imaging of targets in random media or cluttered environments is found in a wide variety of different applications, including ocean acoustics, medical ultrasound, geophysics, and radar. The solution often requires separating targets of interest from other scatterers, and compensating for wave speed variations in the medium. The problem is not usually the lack of data, but too much data, specifically the lack of a useful organizing principle for the data. The difficult part is separating the meaningful data from the remainder. It would therefore be most helpful if there were some means for skipping over those parts of the data that we do not really want to image very much, and looking at those parts (targets) that do interest us. This sounds challenging (maybe even impossible), but recent developments in acoustics make it clear that certain very limited imaging goals are achievable with much smaller data sets than are traditionally needed in, for example, seismic array processing. Early versions of this new method have been given the names of ''time-reversal acoustics'' or ''time-reversal mirrors,'' and have been developed most extensively by the French ultrasonics group led by Fink.

Exact analytical solutions are presented for solute transport in an unsaturated fracture and porous rock matrix. The problem includes advective transport in the fracture and rock matrix as well as advective and diffusive fracture-matrix exchange. Linear sorption in the fracture and matrix and radioactive decay are also treated. The solution is for steady, uniform transport velocities within the fracture and matrix, but allows for independent specification of each of the velocities. The problem is first solved in terms of the solute concentrations that result from an instantaneous point source. Superposition integrals are then used to derive the solute mass flux at a fixed downstream position from an instantaneous point source and for the solute concentrations that result from a continuous point source. Solutions are derived for cases with the solute source in the fracture and the solute source in the matrix. The analytical solutions are closed-form and are expressed in terms of algebraic functions, exponentials, and error functions. Comparisons between the analytical solutions and numerical simulations, as well as sensitivity studies, are presented. Increased sensitivity to cross-flow and solute source location is found for increasing Peclet number. The numerical solutions are found to compare well with the analytical solutions at …

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The X-ray Spectrometer (XRS) instrument is a revolutionary non-dispersive spectrometer that will form the basis for the Astro-E2 observatory to be launched in 2005. We have recently installed a flight spare XRS microcalorimeter spectrometer at the EBIT-I and SuperEBIT facility at LLNL replacing the XRS from the earlier Astro-E mission and providing twice the resolving power. The XRS microcalorimeter is an x-ray detector that senses the heat deposited by the incident photon. It achieves a high energy resolution by operating at 0.06K and by carefully engineering the heat capacity and thermal conductance. The XRS/EBIT instrument has 32 pixels in a square geometry and achieves an energy resolution of 6 eV at 6 keV, with a bandpass from 0.1 to 12 keV (or more at higher operating temperature). The instrument allows detailed studies of the x-ray line emission of laboratory plasmas. The XRS/EBIT also provides an extensive calibration 'library' for the Astro-E2 observatory.

An issue of the axial electron heat loss is of a significant importance for mirror-based fusion devices. This problem has been considered in a number of publications but it is still shrouded in misconceptions. In this paper we revisit it once again. We discuss the following issues: (1) Formation of the electron distribution function in the end tank at large expansion ratios; (2) The secondary emission from the end plates and the ways of suppressing it (if needed); (3) Ionization and charge exchange in the presence of neutrals in the end tanks; (4) Instabilities caused by the peculiar shape of the electron distribution function and their possible impact on the electron heat losses; (5) Electron heat losses in the pulsed mode of operation of mirror devices.

Peselnick, Meister, and Watt have developed rigorous methods for bounding elastic constants of random polycrystals based on the Hashin-Shtrikman variational principles. In particular, a fairly complex set of equations that amounts to an algorithm has been presented previously for finding the bounds on effective elastic moduli for polycrystals having hexagonal, trigonal, and tetragonal symmetries. The more analytical approach developed here, although based on the same ideas, results in a new set of compact formulas for all the cases considered. Once these formulas have been established, it is then straightforward to perform what could be considered an analytic continuation of the formulas (into the region of parameter space between the bounds) that can subsequently be used to provide self-consistent estimates for the elastic constants in all cases. These self-consistent estimates are easily shown (essentially by construction) to lie within the bounds for all the choices of crystal symmetry considered. Estimates obtained this way are quite comparable to those found by the Gubernatis and Krumhansl CPA (coherent potential approximation), but do not require any computations of scattering coefficients.

Natural convection heat and mass transfer under post-closure conditions has been calculated for Yucca Mountain drifts using the computational fluid dynamics (CFD) code FLUENT. Calculations have been performed for 300, 1000, 3000, and 10,000 years after repository closure. Effective dispersion coefficients that can be used to calculate mass transfer in the drift have been evaluated as a function of time and boundary temperature tilt.

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Two methods of up-scaling coupled equations at the microscale to equations valid at the mesoscale and/or macroscale for fluid-saturated and partially saturated porous media are discussed, compared, and contrasted. The two methods are: (1) two-scale and multiscale homogenization, and (2) volume averaging. Both these methods have advantages for some applications and disadvantages for others. For example, homogenization methods can give formulas for coefficients in the up-scaled equations, whereas volume averaging methods give the form of the up-scaled equations but generally must be supplemented with physical arguments and/or data in order to determine the coefficients. Homogenization theory requires a great deal of mathematical insight from the user in order to choose appropriate scalings for use in the resulting power-law expansions, while volume averaging requires more physical insight to motivate the steps needed to find coefficients. Homogenization often is performed on periodic models, while volume averaging does not require any assumption of periodicity and can therefore be related very directly to laboratory and/or field measurements. Validity of the homogenization process is often limited to specific ranges of frequency - in order to justify the scaling hypotheses that must be made - and therefore cannot be used easily over wide ranges of frequency. …

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Yucca Mountain, Nevada, was approved as the site for development of the geologic repository for high-level radioactive waste and spent nuclear fuel in the United States. The U.S. Department of Energy has been conducting studies to characterize the site and assess its future performance as a geologic repository. As part of these studies, a program of deep seismic profiling, to depths of 200 m, was conducted along the top of Yucca Mountain to evaluate the shear-wave velocity (V{sub s}) structure of the repository block. The resulting V{sub s} data were used as input into the development of ground motions for the preclosure seismic design of the repository and for postclosure performance assessment. The noninvasive spectral-analysis-of-surface-waves (SASW) method was employed in the deep profiling. Field measurements involved the use of a modified Vibroseis as the seismic source. The modifications allowed the Vibroseis to be controlled by a signal analyzer so that slow frequency sweeps could be performed while simultaneous narrow-band filtering was performed on the receiver outputs. This process optimized input energy from the source and signal analysis of the receiver outputs. Six deep V{sub s} profiles and five intermediate-depth (about 100 m) profiles were performed along the top of Yucca …

We describe the design and implementation of a vacuum compatible laser-based absolute distance measurement gauge with sub-nm resolution. The present system is compatible with operation in the 10{sup -8} Torr range and with some minor modifications could be used in the 10{sup -9} Torr range. The system is based on glancing incidence reflection and dual segmented diode detection. The system has been implemented as a focus sensor for extreme ultraviolet interferometry and microlithography experiments at Lawrence Berkeley National Laboratory's Advanced Light Source synchrotron radiation facility and 1{sigma} operational measurement noise floor of 0.26 nm has been demonstrated.

The design for the new Federal Building for San Franciscoincludes an office tower that is to be naturally ventilated. Each flooris designed to be cross-ventilated, through upper windows that arecontrolled by the building management system (BMS). Users have controlover lower windows, which can be as much as 50 percent of the totalopenable area. There are significant differences in the performance andthe control of the windward and leeward sides of the building, andseparate monitoring and control strategies are determined for each side.The performance and control of the building has been designed and testedusing a modified version of EnergyPlus. Results from studies withEnergyPlus and CFD are used in designing the control strategy. EnergyPluswas extended to model a simplified version of the airflow patterndetermined using CFD. Wind-driven cross-ventilation produces a main jetthrough the upper openings of the building, across the ceiling from thewindward to the leeward side. Below this jet, the occupied regions aresubject to a recirculating air flow. Results show that temperatureswithin the building are predicted to be satisfactory, provided a suitablecontrol strategy is implemented uses night cooling in periods of hotweather. The control strategy has 10 window opening modes. EnergyPlus wasextended to simulate the effects of these modes, and to assess …

Seven {sup 271}Ds decay chains were identified in the bombardment of {sup 208}Pb targets with 311.5- and 314.3-MeV {sup 64}Ni projectiles using the Berkeley Gas-filled Separator. These data, combined with previous results, provide an excitation function for this reaction. From these results, an optimum energy of 321 MeV was estimated for the production of {sup 272}111 in the reaction {sup 208}Pb({sup 65}Cu, n). One decay chain was observed, resulting in a cross section of 1.7{sub -1.4}{sup +3.9} pb. This experiment confirms the discovery of element 111 by the Darmstadt group who used the {sup 209}Bi({sup 64}Ni, n){sup 272}111 reaction.

The diffusivity in alloys at low temperatures is modeled for composition-modulated structures using Khachaturyan's microscopic theory of diffusion. The theory is now applied to assess a two-phase multilayer system.

Molecular surface computations are often necessary in order to perform synthetic drug design. A critical step in this process is the computation and update of an exact boundary representation for the molecular surface (e.g. the Lee-Richards surface). In this paper they introduce efficient techniques for computing a molecular surface boundary representation as a set of NURBS (non-uniform rational B-splines) patches. This representation introduces for molecules the same geometric data structure used in the solid modeling community and enables immediate access to a wide range of modeling operations and techniques. Furthermore, this allows the use of any general solid modeling or visualization system as a molecular modeling interface. However, using such a representation in a molecular modeling environment raises several efficiency and update constraints, especially in a dynamic setting. For example, changes in the probe radius result in both geometric and topological changes to the set of patches. The techniques provide the option of trading accuracy of the representation for the efficiency of the computation, while still tracking the changes in the set of patches. In particular, they discuss two main classes of dynamic updates: one that keeps the topology of the molecular configuration fixed, and a more complicated case where …

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Shock-accelerated material interfaces are potentially unstable to both the Richtmyer-Meshkov and Rayleigh-Taylor instabilities. Shear that develops along with these instabilities in turn drives the Kelvin-Helmholtz instability. When driven by strong shocks, the evolution and interaction of these instabilities is further complicated by compressibility effects. In this paper, we present a computational study of the formation of jets at strongly driven hydrodynamically unstable interfaces, and the interaction of these jets with one another and with developing spikes and bubbles. This provides a nonlinear spike-spike and spike-bubble interaction mechanism that can have a significant impact on the large-scale characteristics of the mixing layer. These interactions result in sensitivity to the initial perturbation spectrum, including the relative phases of the various modes, that persists long into the nonlinear phase of instability evolution. We describe implications for instability growth rates, the bubble merger process, and the degree of mix in the layer. Finally, we consider results from relevant deceleration RT experiments, performed on OMEGA, to demonstrate some of these effects.

The study of Alloy 22 was undertaken in several selected nitrate/chloride (NO{sub 3}{sup -}/Cl{sup -}) electrolytes with chloride concentrations [Cl{sup -}] of 1.0, 3.5 and 6.0 molal with [NO{sub 3} {sup -}]/[Cl{sup -}] ratios of 0.05, 0.15 and 0.5 at temperatures up to 100 C. Results showed that the repassivation potentials increased with increase in [NO{sub 3} {sup -}]/[Cl{sup -}] ratio and decreased with increase in temperature. The absolute [Cl{sup -}] was found to have less of an effect on the repassivation potential compared with temperature and the NO{sub 3} {sup -}/Cl{sup -}. Regression analyses were carried out and expressions were derived to describe the relationship between the repassivation potential, temperature, [Cl{sup -}] and [NO{sub 3} {sup -}] for the conditions tested.

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Electron-impact excitation and ionization of helium is studied in the S-wave model. The problem is treated in full dimensionality using a time-dependent formulation of the exterior complex scaling method that does not involve the solution of large linear systems of equations. We discuss the steps that must be taken to compute stable ionization amplitudes. We present total excitation, total ionization and single differential cross sections from the ground and n=2 excited states and compare our results with those obtained by others using a frozen-core model.

It has been discovered that several very different surfaces exhibit a common property: unusually large vibration amplitudes of the outermost atoms, well beyond the enhancement normally expected at typical clean surfaces. These special surfaces are: ice H2O(0001), alpha-Al2O3(0001), alpha-Ga(010) and Si(111)-(2x1). The root-mean-square vibration amplitudes in these surfaces are at least double the bulk values. The common cause that may explain these vibration amplitudes is that the surface atoms (or molecules in the case of ice) only have back-bonds that are nearly parallel to the surface. In this geometry, vibrations, especially perpendicular to the surface, involve primarily bond bending rather than bond stretching/compression: since bond bending is relatively soft, the corresponding vibration modes can have larger amplitudes. It is suggested that theory examine and confirm this cause of enhanced surface vibration amplitudes, and explore its implication for other phenomena such as adsorption and catalysis.

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