At the Savannah River Site (SRS) there are 49 High Level Waste (HLW) tanks that eventually must be emptied, cleaned, and closed. The current method of chemically cleaning SRS HLW tanks, commonly referred to as Bulk Oxalic Acid Cleaning (BOAC), requires about a half million liters (130,000 gallons) of 8 weight percent (wt%) oxalic acid to clean a single tank. During the cleaning, the oxalic acid acts as the solvent to digest sludge solids and insoluble salt solids, such that they can be suspended and pumped out of the tank. Because of the volume and concentration of acid used, a significant quantity of oxalate is added to the HLW process. This added oxalate significantly impacts downstream processing. In addition to the oxalate, the volume of liquid added competes for the limited available tank space. A search, therefore, was initiated for a new cleaning process. Using TRIZ (Teoriya Resheniya Izobretatelskikh Zadatch or roughly translated as the Theory of Inventive Problem Solving), Chemical Oxidation Reduction Decontamination with Ultraviolet Light (CORD-UV{reg_sign}), a mature technology used in the commercial nuclear power industry was identified as an alternate technology. Similar to BOAC, CORD-UV{reg_sign} also uses oxalic acid as the solvent to dissolve the metal (hydr)oxide …

The National Compact Stellarator Experiment (NCSX) was designed to test physics principles of an innovative stellarator design developed by the Princeton Plasma Physics Laboratory and Oak Ridge National Laboratory. Construction of some of the major components and sub-assemblies was completed, but the estimated cost and schedule for completing the project grew as the technical requirements and risks became better understood, leading to its cancellation in 2008. The project's risks stemmed from its technical challenges, primarily the complex component geometries and tight tolerances that were required. The initial baseline, established in 2004, was supported by a risk management plan and risk-based contingencies, both of which proved to be inadequate. Technical successes were achieved in the construction of challenging components and subassemblies, but cost and schedule growth was experienced. As part of an effort to improve project performance, a new risk management program was devised and implemented in 2007-08. It led to a better understanding of project risks, a sounder basis for contingency estimates, and improved management tools. Although the risks ultimately were unacceptable to the sponsor, valuable lessons in risk management were learned through the experiences with the NCSX project.

A Markov approach has been selected to represent and quantify the reliability model of a digital feedwater control system (DFWCS). The system state, i.e., whether a system fails or not, is determined by the status of the components that can be characterized by component failure modes. Starting from the system state that has no component failure, possible transitions out of it are all failure modes of all components in the system. Each additional component failure mode will formulate a different system state that may or may not be a system failure state. The Markov transition diagram is developed by strictly following the sequences of component failures (i.e., failure sequences) because the different orders of the same set of failures may affect the system in completely different ways. The formulation and quantification of the Markov model, together with the proposed FMEA (Failure Modes and Effects Analysis) approach, and the development of the supporting automated FMEA tool are considered the three major elements of a generic conceptual framework under which the reliability of digital systems can be assessed.

Metal-based drugs are largely undeveloped in pharmacology. One limiting factor is the systemic toxicity of metal-based compounds. A solid-phase, sequestratable delivery agent for local delivery of metals could reduce systemic toxicity, facilitating new drug development in this nascent area. Amorphous peroxotitanates (APT) are ion exchange materials with high affinity for several heavy metal ions, and have been proposed to deliver or sequester metal ions in biological contexts. In the current study, we tested a hypothesis that APT are able to deliver metals or metal compounds to cells. We exposed fibroblasts (L929) or monocytes (THP1) to metal-APT materials for 72 h in vitro, then measured cellular mitochondrial activity (SDH-MTT method) to assess the biological impact of the metal-APT materials vs. metals or APT alone. APT alone did not significantly affect cellular mitochondrial activity, but all metal-APT materials suppressed the mitochondrial activity of fibroblasts (by 30-65% of controls). The concentration of metal-APT materials required to suppress cellular mitochondrial activity was below that required for metals alone, suggesting that simple extracellular release of the metals from the metal-APT materials was not the primary mechanism of mitochondrial suppression. In contrast to fibroblasts, no metal-APT material had a measurable effect on THP1 monocyte mitochondrial activity, …

The Department of Energy (DOE) has developed, modeled, and tested several different ion exchange media and column designs for cesium removal. One elutable resin and one non-elutable resin were considered for this salt processing application. Deployment of non-elutable Crystalline Silicotitanate and elutable Resorcinol Formaldehyde in several different column configurations were assessed in a formal Systems Engineering Evaluation (SEE). Salt solutions were selected that would allow a grouping of non-compliant tanks to be closed. Tests were run with the elutable resin to determine compatibility with the resin configuration required for an in-tank ion exchange system. Models were run to estimate the ion exchange cycles required with the two resins in several column configurations. Material balance calculations were performed to estimate the impact on the High Level Waste (HLW) system at the Savannah River Site (SRS). Conceptual process diagrams were used to support the hazard analysis. Data from the hazard analysis was used to determine the relative impact on safety. This report will discuss the technical inputs, SEE methods, results and path forward to complete the technical maturation of ion exchange.

Recent advances in laser-plasma accelerators, including the generation of GeV-scale electron bunches, enable applications such as driving a compact free-electron-laser (FEL). Significant reduction in size of the FEL is facilitated by the expected ultra-high peak beam currents (10-100 kA) generated in laser-plasma accelerators. At low electron energies such peak currents are expected to cause space-charge effects such as bunch expansion and induced energy variations along the bunch, potentially hindering the FEL process. In this paper we discuss a self-consistent approach to modeling space-charge effects for the regime of laser-plasma-accelerated ultra-compact electron bunches at low or moderate energies. Analytical treatments are considered as well as point-to-point particle simulations, including the beam transport from the laser-plasma accelerator through focusing devices and the undulator. In contradiction to non-self-consistent analyses (i.e., neglecting bunch evolution), which predict a linearly growing energy chirp, we have found the energy chirp reaches a maximum and decreases thereafter. The impact of the space-charge induced chirp on FEL performance is discussed and possible solutions are presented.

The U.S. Department of Energy's Office of Environmental Management (DOE-EM) was established to achieve the safe and compliant disposition of legacy wastes and facilities from defense nuclear applications. The scope of work is diverse, with projects ranging from single acquisitions to collections of projects and operations that span several decades and costs from hundreds of millions to billions US$. The need to be able to manage and understand the technical risks from the project to senior management level has been recognized as an enabler to successfully completing the mission. In 2008, DOE-EM developed the Technical Risk Rating as a new method to assist in managing technical risk based on specific criteria. The Technical Risk Rating, and the criteria used to determine the rating, provides a mechanism to foster open, meaningful communication between the Federal Project Directors and DOE-EM management concerning project technical risks. Four indicators (technical maturity, risk urgency, handling difficulty and resolution path) are used to focus attention on the issues and key aspects related to the risks. Pressing risk issues are brought to the forefront, keeping DOE-EM management informed and engaged such that they fully understand risk impact. Use of the Technical Risk Rating and criteria during reviews …

One method for disposition of excess plutonium is vitrification into cylindrical wasteforms. Due to the hazards of working with plutonium, the vitrification process must be carried out remotely in a shielded environment. Thus, the equipment must be easily maintained. With their simple design, induction melters satisfy this criterion, making them ideal candidates for plutonium vitrification. However, due to repeated heating and cooling cycles and differences in coefficients of thermal expansion of contacting materials fatigue failure of the induction melter is of concern. Due to the cost of the melter, the number of cycles to failure is critical. This paper presents a method for determining the cycles to failure for an induction melter by using the results from thermal and structural analyses as input to a fatigue failure model.

We show that a simple evolutionary algorithm can optimize a set of mesoscale atmospheric model parameters with respect to agreement between the mesoscale simulation and a limited set of synthetic observations. This is illustrated using the Regional Atmospheric Modeling System (RAMS). A set of 23 RAMS parameters is optimized by minimizing a cost function based on the root mean square (rms) error between the RAMS simulation and synthetic data (observations derived from a separate RAMS simulation). We find that the optimization can be efficient with relatively modest computer resources, thus operational implementation is possible. The optimization efficiency, however, is found to depend strongly on the procedure used to perturb the 'child' parameters relative to their 'parents' within the evolutionary algorithm. In addition, the meteorological variables included in the rms error and their weighting are found to be an important factor with respect to finding the global optimum.

Despite its ease of use, OpenMP has failed to gain widespread use on large scale systems, largely due to its failure to deliver sufficient performance. Our experience indicates that the cost of initiating OpenMP regions is simply too high for the desired OpenMP usage scenario of many applications. In this paper, we introduce CLOMP, a new benchmark to characterize this aspect of OpenMP implementations accurately. CLOMP complements the existing EPCC benchmark suite to provide simple, easy to understand measurements of OpenMP overheads in the context of application usage scenarios. Our results for several OpenMP implementations demonstrate that CLOMP identifies the amount of work required to compensate for the overheads observed with EPCC. Further, we show that CLOMP also captures limitations for OpenMP parallelization on NUMA systems.

Fiber optic grating sensors have been used to measure multi-dimensional strain, pressure, temperature, corrosion and moisture. This paper presents a method of using fiber grating sensors to measure the position and velocity of a very fast event associated with a blast wave. A chirped fiber grating of 50 mm length is placed in a highly energetic material. The action of the shock wave is to destroy the fiber grating as it propagates along it. By using a spectral filter such as a chirped fiber grating in combination with high speed detectors the position and velocity of the shock wave may be determined. A layout of a system used to experimentally verify this technique is described and results presented for two different highly energetic materials.

Experiments have been conducted using laser-driven cylindrical hohlraums whose walls are machined from Ta{sub 2}O{sub 5} foams of 100 mg/cc and 4 g/cc densities. Measurements of the radiation temperature demonstrate that the lower density walls produce higher radiation temperatures than the high density walls. This is the first experimental demonstration of the prediction that this would occur [M. D. Rosen and J. H. Hammer, Phys. Rev. E 72, 056403 (2005)]. For high density walls, the radiation front propagates subsonically, and part of the absorbed energy is wasted by the flow kinetic energy. For the lower wall density, the front velocity is supersonic and can devote almost all of the absorbed energy to heating the wall.

The Sustained Spheromak Physics Experiment (SSPX) [E.B. Hooper, et. al., Nuclear Fusion, Vol. 39, No. 7] explores the physics of efficient magnetic field buildup and energy confinement, both essential parts of advancing the spheromak concept. Extending the spheromak formation phase increases the efficiency of magnetic field generation with the maximum edge magnetic field for a given injector current (B/I) from 0.65 T/MA previously to 0.9 T/MA. We have achieved the highest electron temperatures (T{sub e}) recorded for a spheromak with T{sub e} > 500 eV, toroidal magnetic field {approx}1 T and toroidal current ({approx}1 MA) [R.D. Wood, D.N. Hill, H.S. McLean, E.B. Hooper, B.F. Hudson, J.M. Moller, 'Improved magnetic field generation efficiency and higher temperature spheromak plasmas', submitted to Physical Review Letters]. Extending the sustainment phase to > 8 ms extends the period of low magnetic fluctuations (< 1 %) by 50%. The NIMROD 3-D resistive MHD code [C.R. Sovinec, T.A. Gianakon, E.D. Held, S.E. Kruger and D.D. Schnack, The NIMROD Team, Phys. Plasmas 10, 1727 (2003)] reproduces the observed flux amplification {Psi}{sub pol}/{Psi}{sub gun}. Successive gun pulses are demonstrated to maintain the magnetic field in a quasi-steady state against resistive decay. Initial measurements of neutral particle flux in multi-pulse …

The neutral complexes of two ligands based on the 1-oxo-2-hydroxy-isoquinoline (1,2-HOIQO) motif with group 13 metals (Al, Ga, In) show bright blue-violet luminescence in organic solvents. The corresponding transition can be attributed to ligand-centered singlet emission, characterized by a small Stokes shifts of only a few nm combined with lifetimes in the range between 1-3 ns. The fluorescence efficiency is high, with quantum yields of up to 37% in benzene solution. The crystal structure of one of the indium(III) complexes (trigonal space group R-3, a = b = 13.0384(15) {angstrom}, c = 32.870(8) {angstrom}, ? = {beta} = 90{sup o}, {gamma} = 120{sup o}, V = 4839.3(14) {angstrom}{sup 3}, Z = 6) shows a six-coordinate geometry around the indium center which is close to trigonal-prismatic, with a twist angle between the two trigonal faces of 20.7{sup o}. Time-dependent density functional theory (TD-DFT) calculations (Al and Ga: B3LYP/6-31G(d)); In: B3LYP/LANL2DZ of the fac and mer isomers with one of the two ligands indicate that there is no clear preference for either one of the isomeric forms of the metal complexes. In addition, the metal centers do not have a significant influence on the electronic structure, and as a consequence, on the …

We describe a three Mimostar-2 Monolithic Active PixelSensor (MAPS) sensor telescope prototype with an accompanying readoutsystem incorporating on-the-fly data sparsification. The system has beencharacterized and we report on the measured performance of the sensortelescope and readout system in beam tests conducted both at the AdvancedLight Source (ALS) at Lawrence Berkeley National Laboratory (LBNL) and inthe STAR experiment at the Relativistic Heavy Ion Collider (RHIC). Thiseffort is part of the development and prototyping work that will lead toa vertex detector for the STAR experiment.

I review recent developments in lattice QCD at finite temperature, including the determination of the transition temperature T{sub c}, equation of state and different static screening lengths. The lattice data suggest that at temperatures above 1.5T{sub c} the quark gluon plasma can be considered as gas consisting of quarks and gluons.

Measurements of elementary pp collisions are essential for understanding heavy ion collisions. R.esu1ts for pp collisions at 200 and 62.4 GeV are presented. At both energies NLO pQCD describes pion production well. The measured pion transverse single spin asymmetries are very large at 62.4 GeV and are reasonably well described by models relying on pQCD at transverse momenta larger than 1 GeV/c.

For atomic and molecular quantum Monte Carlo calculations, most of the computational effort is spent in the evaluation of the local energy. We describe a scheme for reducing the computational cost of the evaluation of the Slater determinants and correlation function for the correlated molecular orbital (CMO) ansatz. A sparse representation of the Slater determinants makes possible efficient evaluation of molecular orbitals. A modification to the scaled distance function facilitates a linear scaling implementation of the Schmidt-Moskowitz-Boys-Handy (SMBH) correlation function that preserves the efficient matrix multiplication structure of the SMBH function. For the evaluation of the local energy, these two methods lead to asymptotic linear scaling with respect to the molecule size.

We discuss the motivation, theory, and formulation of the ab initio No-Core Shell Model (NCSM). In this method the effective Hamiltonians are derived microscopically from realistic nucleon-nucleon (NN) and theoretical three-nucleon (NNN) potentials, as a function of the finite harmonic-oscillator (HO) basis space. We present converged results for the A = 3 and 4 nucleon systems, which are in agreement with results obtained by other exact methods, followed by results for p-shell nuclei. Binding energies, rms radii, excitation spectra, and electromagnetic properties are discussed.The favorable comparison with available data is a consequence of the underlying NN and NNN interactions rather than a phenomenological fit.

Electronics based on carbon nanotubes (CNT) has received a lot of attention recently because of its tremendous application potential, such as active components and interconnects in nanochips, nanoelectromechanical systems (NEMS), display devices, and chemical and biological sensors. However, as with most nanoelectronic systems, successful commercial deployment implies structural control at the molecular level. To this end, it is clearly necessary to understand the effect of contacts, topological defects, dopants, and chemisorbed atoms and molecules on the electronic transport through CNT's. This paper summarizes our computational efforts to address some of the above questions. Examples include: wetting properties and bonding strength of metal contacts on the CNT surface, the effect of Stone-Wales defects on the chemisorption of O{sub 2} and NH3, and how such chemisorbed species and defects effect the electronic transmission and conductance. Our approach is based on first-principles density functional theory (DFT) to compute equilibrium structures, and nonequilibrium Green's function (NEGF) methods, using both DFT and semi-empirical tight-binding formalisms, for computing electronic transport properties.

A responsibility of the Laser Safety Officer (LSO) is to perform laser safety audits. The American National Standard Z136.1 Safe use of Lasers references this requirement in several sections: (1) Section 1.3.2 LSO Specific Responsibilities states under Hazard Evaluation, ''The LSO shall be responsible for hazards evaluation of laser work areas''; (2) Section 1.3.2.8, Safety Features Audits, ''The LSO shall ensure that the safety features of the laser installation facilities and laser equipment are audited periodically to assure proper operation''; and (3) Appendix D, under Survey and Inspections, it states, ''the LSO will survey by inspection, as considered necessary, all areas where laser equipment is used''. Therefore, for facilities using Class 3B and or Class 4 lasers, audits for laser safety compliance are expected to be conducted. The composition, frequency and rigueur of that inspection/audit rests in the hands of the LSO. A common practice for institutions is to develop laser audit checklists or survey forms. In many institutions, a sole Laser Safety Officer (LSO) or a number of Deputy LSO's perform these audits. For that matter, there are institutions that request users to perform a self-assessment audit. Many items on the common audit list and the associated findings are …

Basic laser safety training at Lawrence Livermore National Laboratory (LLNL) is provided through a multiple module web-based course. The web-based course presents a wide and detailed review of laser safety topics including: biological effects, laser protective eyewear, fiber optic laser use, control measures, and more. It opens with a re-enactment of a laser accident. While supportive of this web-based course and actively involved in its development, the NIF Directorate has developed a classroom presentation adjunct to the course for laser users working in NIF. This author considers the LLNL web-based laser safety course to be one of, if not the best, such course available. Still, experience has shown that a ''lessons learned program'' is a great re-enforcer of laser safety. What-is-more, the laser lessons learned class provides important ''face-to-face'' interactions and discussion. The object of the ''laser lessons learned course'' is not to repeat the web course but present laser related lessons learned to the staff. In this author's opinion, lessons learned is the strongest safety re-enforcement one can present to the laser user community. For example, it can show how a practice that might be common to laser users can lead to a dramatic injury and a programmatic long-term …

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For decades the measurement of the electron density in plasmas by interferometers has relied on the approximation that the index of refraction in a plasma is due solely to the free electrons and therefore is less than one. Recent measurements of Al plasmas using X-ray laser interferometers have observed anomalous results with the fringes bending the opposite way than expected due to the index of refraction being larger than one. Subsequent analysis showed that the bound electrons have a larger contribution to the index of refraction with the opposite sign than the free electrons. This effect extends far from the absorption edges and lines of the bound electrons. Utilizing a new average atom code we calculate the index of refraction in C, Al, Ti and Pd plasmas and show that there are many conditions over which the bound electron contribution dominates as we explore photon energies from the optical to 100 eV (12 nm) soft X-rays. During the next decade X-ray free electron lasers and other sources will be available to probe a wider variety of plasmas at higher densities and shorter wavelengths so understanding the index of refraction in plasmas will be even more essential.