Contaminating clouds of electrons are a common concern for accelerators of positive-charged particles, but there are some unique aspects of heavy-ion accelerators for fusion and high-energy density physics which make modeling such clouds especially challenging. In particular, self-consistent electron and ion simulation is required, including a particle advance scheme which can follow electrons in regions where electrons are strongly, weakly, and un-magnetized. We describe our approach to such self-consistency, and in particular a scheme for interpolating between full-orbit (Boris) and drift-kinetic particle pushes that enables electron time steps long compared to the typical gyro period in the magnets. We present tests and applications: simulation of electron clouds produced by three different kinds of sources indicates the sensitivity of the cloud shape to the nature of the source; first-of-a-kind self-consistent simulation of electron-cloud experiments on the High-Current Experiment (HCX) at LBNL, in which the machine can be flooded with electrons released by impact of the ion beam on an end plate, demonstrate the ability to reproduce key features of the ion-beam phase space; and simulation of a two-stream instability of thin beams in a magnetic field demonstrate the ability of the large-timestep mover to accurately calculate the instability.

We examined the potential use of standard optimization algorithms as implemented in the inverse modeling code iTOUGH2 (Finsterle, 1999abc) for the solution of aquifer remediation problems. Costs for the removal of dissolved or free-phase contaminants depend on aquifer properties, the chosen remediation technology, and operational parameters (such as number of wells drilled and pumping rates). A cost function must be formulated that may include actual costs and hypothetical penalty costs for incomplete cleanup; the total cost function is therefore a measure of the overall effectiveness and efficiency of the proposed remediation scenario. The cost function is then minimized by automatically adjusting certain decision or operational parameters. We evaluate the impact of these operational parameters on remediation using a three-phase, three-component flow and transport simulator, which is linked to nonlinear optimization routines. We demonstrate that the methods developed for automatic model calibration are capable of minimizing arbitrary cost functions. An example of co-injection of air and steam makes evident the need for coupling optimization routines with an accurate state-of-the-art process simulator. Simplified models are likely to miss significant system behaviors such as increased downward mobilization due to recondensation of contaminants during steam flooding, which can be partly suppressed by the co-injection …

The present paper reviews the use of expressed protein ligation for the biosynthesis of backbone cyclic polypeptides. This general method allows the in vivo and in vitro biosynthesis of cyclic polypeptides using recombinant DNA expression techniques. Biosynthetic access to backbone cyclic peptides opens the possibility to generate cell-based combinatorial libraries that can be screened inside living cells for their ability to attenuate or inhibit cellular processes.

High-energy-density (HED) physics refers broadly to the study of macroscopic collections of matter under extreme conditions of temperature and density. The experimental facilities most widely used for these studies are high-power lasers and magnetic-pinch generators. The HED physics pursued on these facilities is still in its infancy, yet new regimes of experimental science are emerging. Examples from astrophysics include work relevant to planetary interiors, supernovae, astrophysical jets, and accreting compact objects (such as neutron stars and black holes). In this paper, we will review a selection of recent results in this new field of HED laboratory astrophysics and provide a brief look ahead to the coming decade.

A reasonable description of the hydraulic conductivity structure is a prerequisite for modeling contaminant transport. However, formulations of hydrogeological inverse problems utilizing hydrogeological data only often fail to reliably resolve features at a resolution required for accurately predicting transport. Incorporation of geophysical data into the inverse problem offers the potential to increase this resolution. In this study, we invert hydrological tracer test data using the shape and relative magnitude variations derived from geophysical tomographic data to regionalize a hydrogeological inverse problem in order to estimate the hydraulic conductivity structure. Our approach does not require that the petrophysical relationship be known a-priori, but that it is linear and stationary within each geophysical anomaly. However, tomograms are imperfect models of geophysical properties and geophysical properties are not necessarily strongly linked to hydraulic conductivity. Therefore, we focus on synthetic examples where the correlation between radar velocity and hydraulic conductivity, as well as the geophysical data acquisition errors, are varied in order to assess what aspects of the hydraulic conductivity structure we can expect to resolve under different conditions. The results indicate that regularization of the tracer inversion procedure using geophysical data improves estimates of hydraulic conductivity. We find that even under conditions of …

Two points in our recent article on Edward Teller's scientific life (Physics Today, August 2004, page 45) require correction. In our description of Teller's students, we incorrectly stated that Arthur Kantrowitz's thesis was on the generation of hypersonic molecular beams. Actually, his thesis was on heat capacity lags in gas dynamics. Kantrowitz's invention of high intensity sources for molecular beams came later in his career. Maurice Goldhaber has emphasized that the situation with respect to possible nuclear resonances in ({gamma},n) or ({gamma},fission) reactions was quite unclear at the time of George C. Baldwin and G. Stanley Klaiber's papers on these reactions. This was because the rapid rise of their yield to a prominent peak with increasing energy, followed by a slower fall off was then thought to have been due to the competition between the rapidly rising density of nuclear states and the eventual domination of other reaction channels at higher energies. Goldhaber realized, however, that there could be an analogy between a possible collective nuclear resonance and the restrahl resonance (essentially the transverse optical phonon mode) in polar crystals. Goldhaber sought out Teller because of his paper with Russell Lyddane and Robert Sachs, relating the restrahl frequency to the …

The temperature dependence of the photoluminescence (PL) transitions associated with various excitons and their phonon replicas in high-purity bulk ZnO has been studied at temperatures from 12 K to above room temperature (320 K). Several strong PL emission lines associated with LO phonon replicas of free and bound excitons are clearly observed. The room temperature PL spectrum is dominated by the phonon replicas of the free exciton transition with the maximum at the first LO phonon replica. The results explain the discrepancy between the transition energy of free exciton determined by reflection measurement and the peak position obtained by the PL measurement.

The radiocarbon calibration curve, IntCal04, extends back to 26 cal kBP. While several high resolution records exist beyond this limit, these data sets exhibit discrepancies one to another of up to several millennia. As a result, no calibration curve for the time range 26-50 cal kBP can be recommended as yet, but in this paper the IntCal04 working group compares the available data sets and offers a discussion of the information that they hold.

Previously, we reported preliminary results for commercial thin borosilicate glass sheets evaluated for use as a frequently-replaced optic to separate the radiation and contamination produced by the inertial confinement fusion experiments in the National Ignition Facility target chamber from the expensive precision laser optics which focus and shape the 351-nm laser beam. The goal is identification of low cost substrates that can deliver acceptable beam energy and focal spots to the target. The two parameters that dominate the transmitted beam quality are the transmitted wave front error and 351-nm absorption. Commercial materials and fabrication processes have now been identified which meet the beam energy and focus requirements for all of the missions planned for the National Ignition Facility. We present the first data for use of such an optic on the National Ignition Facility laser.

We present results from an investigation into the stability of underground structures in response to explosive loading. Field tests indicate that structural response can be dominated by the effect of preexisting fractures and faults in the rock mass. Consequently, accurate models of underground structures must take into account deformations across fractures and not simply within the intact portions of the rock mass. The distinct element method (DEM) is naturally suited to simulating such systems because it can explicitly accommodate the blocky nature of natural rock masses. We will discuss details specific to our implementation of the DEM and summarize recent results.

We demonstrate single-shot x-ray laser induced time-of-flight photoelectron spectroscopy on semiconductor and metal surfaces with picosecond time resolution. The LLNL COMET compact tabletop x-ray laser source provides the necessary high photon flux (>10{sup 12}/pulse), monochromaticity, picosecond pulse duration, and coherence for probing ultrafast changes in the city, chemical and electronic structure of these materials. Static valence band and shallow core-level photoemission spectra are presented for ambient temperature Ge(100) and polycrystalline Cu foils. Surface contamination was removed by UV ozone cleaning prior to analysis. In addition, the ultrafast nature of this technique lends itself to true single-state measurements of shocked and heated materials. Time-resolved electron time-of-flight photoemission results for ultra-thin Cu will be presented.

Cross section measurements were made of prompt {gamma}-ray production as a function of incident neutron energy on a {sup 48}Ti sample. Partial {gamma}-ray cross sections for transitions in {sup 45--48}Ti, {sup 44--48}Sc, {sup 42--45}Ca, {sup 41--44}K, and {sup 41--42}Ar have been determined. Energetic neutrons were delivered by the Los Alamos National Laboratory spallation neutron source located at the LANSCE/WNR facility. The prompt-reaction {gamma} rays were detected with the large-scale Compton-suppressed germanium array for neutron induced excitations (GEANIE). Neutron energies were determined by the time-of-flight technique. The {gamma}-ray excitation functions were converted to partial {gamma}-ray cross sections taking into account the dead-time correction, target thickness, detector efficiency and neutron flux (monitored with an in-line fission chamber). The data will be presented for neutron energies between 1 to 250 MeV. These results are compared with model calculations which include compound nuclear and pre-equilibrium emission.

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The definitive paper by Stuiver and Polach (1977) established the conventions for reporting of {sup 14}C data for chronological and geophysical studies based on the radioactive decay of {sup 14}C in the sample since the year of sample death or formation. Several ways of reporting {sup 14}C activity levels relative to a standard were also established, but no specific instructions were given for reporting nuclear weapons testing (post-bomb) {sup 14}C levels in samples. Because the use of post-bomb {sup 14}C is becoming more prevalent in forensics, biology, and geosciences, a convention needs to be adopted. We advocate the use of fraction modern with a new symbol F{sup 14}C to prevent confusion with the previously used Fm, which may or may not have been fractionation corrected. We also discuss the calibration of post-bomb {sup 14}C samples and the available datasets and compilations, but do not give a recommendation for a particular dataset.

The hard X-ray regime (10-100 keV) remains one of the last unexplored areas of astronomy. During the next decade, several major observatories will open this new frontier, providing insight into black hole formation, nucleosynthesis and the physics that governs the most energetic quasars. The telescopes rely on grazing incidence optics coated with multilayers, and will require at wavelength calibration of the angular resolution of the mirrors and the reflectivity of their coatings-a task best performed at synchrotron facilities. As mirror fabrication and multilayer development for astronomy has progressed, other applications of these hard X-rays optics has emerged, ranging from radionuclide imaging for biomedical research to collimator optics for X-ray sources to target characterization and diagnostic imaging for the National Ignition Facility (NIF). The resolution, field of view (FOV) and throughput of these systems make them interesting candidates for adaptation to synchrotron beamlines, acting as collimator or collector elements or focusing elements for microscopy.

Recent results on high transverse momentum (p{sub T}) hadron production in p+p, d+Au and Au+Au collisions at the Relativistic Heavy Ion Collider (RHIC) are reviewed. Comparison of the nuclear modification factors, R{sub dAu}(p{sub T}) and R{sub AA}(p{sub T}), demonstrates that the large suppression in central Au+Au collisions is due to strong final-state effects. Theoretical models which incorporate jet quenching via gluon Bremsstrahlung in the dense partonic medium that is expected in central Au+Au collisions at ultra-relativistic energies are shown to reproduce the shape and magnitude of the observed suppression over the range of collision energies so far studied at RHIC.

Orbit raising missions (LEO to GEO or beyond) are the only missions with enough current traffic to be seriously considered for near-term power beaming propulsion. Even these missions cannot justify the development expenditures required to deploy the required new laser, optical and propulsion technologies or the programmatic risks. To be deployed, the laser and optics technologies must be spin-offs of other funded programs. The manned lunar base nighttime power requirements may justify a major power beaming program with 2MW lasers and large optical systems. New laser and optical technologies may now make this mission plausible. If deployed these systems could be diverted for power beaming propulsion applications. Propulsion options include a thermal system with an Isp near 1000 sec., a new optical coupled thermal system with an Isp over 2000 sec. photovoltaic-ion propulsion systems with an Isp near 3000 sec., and a possible new optical coupled thermal system with an Isp over 2000 sec.

We compare two-dimensional model results with measurements for the thermal, chemical and mechanical behavior in a thermal explosion experiment. Confined high explosives are heated at a rate of 1 C per hour until an explosion is observed. The heating, ignition, and deflagration phases are modeled using an Arbitrarily Lagrangian-Eulerian code (ALE3D) that can handle a wide range of time scales that vary from a structural to a dynamic hydro time scale. During the pre-ignition phase, quasi-static mechanics and diffusive thermal transfer from a heat source to the HE are coupled with the finite chemical reactions that include both endothermic and exothermic processes. Once the HE ignites, a hydro dynamic calculation is performed as a burn front propagates through the HE. Two RDX-based explosives, C-4 and PBXN-109, are considered, whose chemical-thermal-mechanical models are constructed based on measurements of thermal and mechanical properties along with small scale thermal explosion measurements. The simulated dynamic response of HE confinement during the explosive phase is compared to measurements in large scale thermal explosion tests. The explosion temperatures for both HE's are predicted to within 5 C. Calculated and measured wall strains provide an indication of vessel pressurization during the heating phase and violence during the …

A coupled mode system is derived to investigate a three-wave parametric instability leading to energy transfer between co-propagating laser beams crossing in a plasma flow. The model includes beams of finite width refracting in a prescribed transverse plasma flow with spatial and temporal gradients in velocity and density. The resulting paraxial light equations are discretized spatially with a Crank-Nicholson-type scheme, and these algebraic constraints are nonlinearly coupled with ordinary differential equations in time that describe the ion acoustic response. The entire nonlinear differential-algebraic system is solved using an adaptive, backward-differencing method coupled with Newton's method. A numerical study is conducted in two dimensions that compares the intensity gain of the fully time-dependent coupled mode system with the gain computed under the further assumption of a strongly-damped ion acoustic response. The results demonstrate a time-dependent gain suppression when the beam diameter is commensurate with the velocity gradient scale length. The gain suppression is shown to depend on time-dependent beam refraction and is interpreted as a time-dependent frequency shift.

We report on two-dimensional near-field imaging experiments of the 11.9-nm Sn x-ray laser that were performed with a set of Mo/Y multilayer mirrors having reflectivities of up to {approx}45% at normal and at 45{sup o} incidence. Second-moment analysis of the x-ray laser emission was used to determine values of the x-ray beam propagation factor M{sup 2} for a range of irradiation parameters. The results reveal a reduction of M{sup 2} with increasing prepulse amplitude. The spatial size of the output is a factor of {approx}2 smaller than previously measured for the 14.7-nm Pd x-ray laser, while the distance of the x-ray emission with respect to the target surface remains roughly the same.

We sought to simulate auxetic behavior by carrying out dynamic analyses of mesoscopic model structures. We began by generating nearly periodic cellular structures. Four-node 'Shell' elements and eight-node 'Brick' elements are the basic building blocks for each cell. The shells and bricks obey standard elastic-plastic continuum mechanics. The dynamical response of the structures was next determined for a three-stage loading process: (1) homogeneous compression; (2) viscous relaxation; (3) uniaxial compression. The simulations were carried out with both serial and parallel computer codes--DYNA3D and ParaDyn--which describe the deformation of the shells and bricks with a robust contact algorithm. We summarize the results found here.

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We have used velocimetry for many years at LLNL to measure velocity-time histories of surfaces in dynamic experiments. We have developed and now use special instrumentation to make continuous shock-velocity measurements inside of materials. The goal is to extend the field of velocimetry into a new area of application in shock physics. At the last Congress we reported the successful use of our new filter system for selectively eliminating most of the non- Doppler-shifted light. We showed one record of a fiber embedded inside an explosive making a continuous detonation velocity-time history. At that time it was difficult to obtain complete records. We have now carried out over 65 inexpensive experiments usually using small cylinders or rectangular blocks of explosives or metals. Most were started by detonating a 25 mm diam by 25 mm long cylinder of Comp B explosive to drive a shock into an adjacent material of similar dimensions, using our embedded fiber probes. In contrast to surface velocimetry, embedded measurements involve detailed hydrodynamic considerations in order to result in a successful record. Calculations have guided us in understanding of various failed and successful experiments. The homogeneity of the explosive, poor contact, the materials used in the cladding …

A recently developed coda magnitude methodology was applied to selected broadband stations in Turkey for the purpose of testing the coda method in a large, laterally complex region. As found in other, albeit smaller regions, coda envelope amplitude measurements are significantly less variable than distance-corrected direct wave measurements (i.e., L{sub g} and surface waves) by roughly a factor 3-to-4. Despite strong lateral crustal heterogeneity in Turkey, they found that the region could be adequately modeled assuming a simple 1-D, radially symmetric path correction. After calibrating the stations ISP, ISKB and MALT for local and regional distances, single-station moment-magnitude estimates (M{sub W}) derived from the coda spectra were in excellent agreement with those determined from multistation waveform modeling inversions, exhibiting a data standard deviation of 0.17. Though the calibration was validated using large events, the results of the calibration will extend M{sub W} estimates to significantly smaller events which could not otherwise be waveform modeled. The successful application of the method is remarkable considering the significant lateral complexity in Turkey and the simple assumptions used in the coda method.