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At least 541 records · Page 30

Systems and methods for laser diode array having integrated microchannel cooling

The present disclosure relates to a laser diode system. The system may have at least one laser diode emitter having a substrate, at least one laser diode supported on the substrate, and a facet which a laser beam generated by the laser diode is emitted. A cooling subsystem is included which is disposed in contact with the substrate of the laser diode emitter. The cooling subsystem includes a plurality of cooling fins forming a plurality of elongated channels for circulating a cooling fluid therethrough to cool the laser diode emitter. The cooling fluid also flows over the facet of the laser diode emitter.

Kotovsky, Jack↗

Electrochemical Mitigation of Corrosion in Molten Chloride Salts During CSP Plant Operation

We are designing an electrochemical flow-cell for removal of corrosive impurities from molten chloride salt Gen3 Concentrating Solar Power (CSP) plants during plant operation. Corrosive impurities will inevitably form in molten chloride salts upon exposure to air and moisture. We previously showed that even small amounts of these impurities, especially MgOHCl, will be detrimental in Gen3 CSP plants, necessitating prohibitively expensive containment alloys and frequent replacement of corroded components. Pre-purification of salt with Mg metal at temperatures above 650 degrees C is the current method for removing corrosive impurities from chloride salts before they are introduced to CSP systems. However, this is not a suitable method for impurity removal during plant operation. First, this method will produce MgO particulates which will damage plant components. Second, Mg metal is solid at the low temperature point (500 degrees C), so the purification will not proceed at a fast rate. At the high temperature point, Mg is soluble. In this case, fast purification may proceed, but dissolved metal is likely to precipitate out in cold-temperature point components, causing damage. In contrast, our electrochemically driven method allows fast Mg-based purification to proceed at the low temperature point, without formation of harmful particulates and without the risk of Mg metal precipitation. This novel approach is inspired by electrorefining techniques that are widely employed in industrial metallurgy for removal of impurities from metals. Impurities in the incoming molten salt will be reduced to inert MgO at the cathode, which can be removed by periodically washing the cell with acid. Simultaneously, Mg dissolution at the anode will ensure salt composition is maintained, with no net removal of Mg2+. We have validated this electrochemical approach at lab scale under static conditions with batch rectors. Furthermore, we have performed analytical modeling and technoeconomic analysis to produce a preliminary engineering design for the purification flow cell.

CSP↗

Developing Separate Effects Transient Test Experiments Using an Out-of-Pile Flowing Water Loop

In 2017 the Transient Reactor Test Facility was restarted after being placed in a standby state since 1994. This Test Reactor’s restart has since enabled the progressive development of new nuclear technologies within the U.S. that were previously required to outsource to other countries. While the reactor’s restart was a large feat worthy of recognition, the experimental use of its characteristics has required the further development of in-pile experimental infrastructure sufficient to support programmatic needs. This hardware have taken the form of capsule designs (compact and elongated) as well as loop concepts representing the phenomena of interest for a subset of separate effects tests desire for each respective testing campaign. The Transient Testing Program has a large-integrated effort that aligns with the U.S. Department of Energy’s current needs. This study compliments those programmatic elements by developing, fabricating and demonstrating a full-scale flowing water loop in an out-of-pile environment. The goal of this effort is to develop a pragmatic understanding of the engineering capabilities and limitations associated with geometric form-factors, metering technology, and controls logic under representative thermal hydraulic conditions that would be experienced within the TREAT reactor during an in-pile reactivity initiated accident test. The outcomes of this study result in an evaluation of the conceptual design of a comprehensive flowing water loop including objective figures of merit (FoMs) for comparing unique instrumentation and the basis for their selection during operations. These efforts directly contribute to and are required for the further advancement of transient testing capabilities within the U.S.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Flow and extraction of energy and charge carriers in hybrid plasmonic nanostructures

Strong interactions of electromagnetic fields with plasmonic nanomaterials have been exploited in various applications. These applications have centred on plasmon-enhanced scattering rates in nearby molecules or plasmon-induced heating. A question that has emerged recently is whether it is possible to use plasmonic nanostructures in a range of hot electron (hole) applications, including photocatalysis, photovoltaics and photodetection. These applications require coupling of a plasmonic component, which amplifies the interaction of light with the material, to an attached non-plasmonic component that extracts this energy in the form of electronic excitations to perform a function. Here, in this Perspective, we discuss recent work in the emerging field of hybrid plasmonics. We focus on fundamental questions related to the nanoscopic flow of energy and excited charge carriers in these multicomponent materials. We also address critical misconceptions, challenges and opportunities that require more attention.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On the Generation of Weddell Sea Polynyas in a High-Resolution Earth System Model

Larger Weddell Sea polynyas (WSPs), differentiated in this study from the smaller Maud Rise Polynyas (MRPs), forming to the east of the prime meridian in the proximity of the Maud Rise seamount, have last been observed in the 1970s. We investigate WSPs that grow realistically out of MRPs in a high-resolution (HR) preindustrial simulation with the Energy Exascale Earth System Model version 0.1. The formation of MRPs requires HR to simulate the detailed flow around Maud Rise, while the realistic formation of WSPs requires a model to produce MRPs. Furthermore, WSPs tend to follow periods of a prolonged build-up of a heat reservoir at depth and weakly negative wind-stress curl in association with the core of the southern hemisphere westerlies at an anomalously northern position. While this scenario also leads to drier conditions over the central Weddell Sea, which some literature claims to be a necessary condition for the formation of WSPs, our model results indicate that open-ocean polynyas do not occur during periods of weakly negative wind-stress curl despite drier atmospheric conditions. Our study supports the hypothesis noted in earlier studies that a shift from a weakly negative to a strongly negative wind-stress curl over the Weddell Sea is a prerequisite for WSPs to form, together with a large heat reservoir at depth. However, the ultimate trigger is a pronounced MRP; whose associated convection creates high surface salinity anomalies that propagate westward with the flow of the Weddell Gyre. If large enough, these anomalies trigger the formation of a WSP and a pulse of newly formed Antarctic Bottom Water.

54 ENVIRONMENTAL SCIENCES↗

Evaluation of the interaction between SiC, pre-oxidized FeCrAlMo with aluminized and pre-oxidized Fe-8Cr-2W in flowing PbLi

We report dissimilar materials interactions are a major concern when liquid metals are used as a working fluid. To simulate a dual-coolant PbLi blanket, chemical vapor deposited (CVD) SiC, pre-oxidized FeCrAlMo (APMT) and pre-oxidized aluminized coating on Fe-8Cr-2 W (F82H) specimens were exposed to flowing commercial Pb-17at.%Li with a peak temperature of 650 °C in a pre-oxidized APMT thermal convection loop (TCL) for 1000 h. Similar to prior results in static PbLi, the coated F82H showed small mass changes and limited degradation of room-temperature tensile properties. After exposure, the α-Al 2 O 3 on the surface coated F82H reacted with the PbLi to form LiAlO 2 . However, no significant Al coating loss or interdiffusion was observed. Mass transfer was observed between the APMT, TCL and the SiC specimens. Fe, Cr and Ni were dissolved into the molten flowing PbLi and transported through the TCL to react with the SiC specimens. Compared to a prior experiment with a majority of bare FeCrAl specimens that were exposed in a TCL with a peak temperature of 700 °C for 1000 h, the SiC reaction was reduced to only a few microns of carbides and silicides. Oxygen dissolved in the molten PbLi sustained the formation of an Al 2 O 3 scale on the surface of the coating and induced the formation of a thin surface SiO 2 layer on the surface of the SiC.

36 MATERIALS SCIENCE↗

Coherent microwave scattering from resonance enhanced multi-photon ionization (Radar REMPI): A review

Coherent microwave scattering from laser-induced plasmas, including weakly ionized plasma, laser sparks, Multiphoton Ionization (MPI), and Resonance Enhanced Multi-Photon Ionizations (Radar REMPI) has achieved much successes in plasma, reactive and nonreactive flow diagnostics. Under illumination of microwaves (Radar), electrons inside the laser-induced plasma oscillate with the electric field of the microwave and re-radiate from the electrons forming coherent scattering. In the far-field approximation, the microwave scattering from the small volume plasma reflects the generation and evolution of unbounded electrons inside the plasma, when the microwave wavelength is much greater than the size of the plasma and the skin layer depth at the microwave frequency is larger than the size of the plasma. Laser excitation schemes, microwave detection methods, calibration of microwave scattering, and the novel applications of the technique have been significantly expanded and improved. Furthermore, this review paper summarizes physical principles, various REMPI excitation schemes for atomic and molecular species, and temperature measurements in plasma and reactive flows. Discussions on new research directions and applications are given at the end.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Achieving SEI preformed graphite in flow cell to mitigate initial lithium loss

The irreversible lithium loss due to the formation of solid electrolyte interphase (SEI) in the initial cycle on the graphite anode greatly reduces the overall cell energy density of lithium ion batteries, that is, the lost Li ions from forming SEI lead to the decrease of Li ions for the intercalation. The method of cathode prelithiation has been widely explored to compensate this lithium loss. However, these cathode additives with high lithium contents inevitably lower the loading of the cathode active materials. In this work, we report a novel approach to solve this challenge, a facile graphite prelithiation method by preforming SEI layers on the surface of graphite powders (Pre-SEI graphite) utilizing a specially designed flow cell. The Li accommodation in the graphite anode can be controlled by the operating time and current density in the flow cell for the electrochemical SEI formation. As a result, we demonstrate a 10% initial Columbic efficiency increase of the LiFePO 4 electrode in a full cell configuration using the Pre-SEI graphite, compared with the pristine graphite anode. The electrochemical preformation of SEI on the graphite powders offers a complete solution to offset initial lithium loss without a sacrifice of active cathode material loading.

25 ENERGY STORAGE↗

Upper-Tropospheric Troughs and North American Monsoon Rainfall in a Long-Term Track Dataset

The North American monsoon is frequently affected by transient, propagating upper tropospheric vorticity anomalies. Sometimes called Tropical Upper-Tropospheric Troughs (TUTTs), these features have been claimed to episodically enhance monsoon rainfall. Here, we track long-lived TUTTs in 40 years of reanalysis data, producing composites and case studies from 340 TUTTs which last, on average, 7 days as they move westward across the North American monsoon region. TUTTs are thought to form from midlatitude Rossby wave breaking; case studies from our dataset support this theory. TUTTs move westward within the easterly upper-level flow in which they are embedded. In vortex-centered composites along the full tracks of long-lived TUTTs, here, we find no detectable increase in rainfall within the main TUTT circulation. Instead, negative precipitation anomalies lie within about 500 km of the TUTT center. Quasi-geostrophic ascent occurs in the southeast quadrant of TUTTs but is confined to the upper troposphere and does not appear to interact with precipitation. Positive anomalies of ascent and rainfall occur south and southeast of TUTTs but lie outside the main TUTT vortex, perhaps indicating concurrent variations in nearby climatological precipitation maxima. In contrast with previous case studies and subjective analyses that showed TUTTs enhance precipitation in parts of northwestern Mexico, our composites along the tracks of long-lived TUTTs portray these systems, to first order, as strong vorticity anomalies trapped in the upper troposphere that interact only weakly and indirectly with precipitation.

54 ENVIRONMENTAL SCIENCES↗

Drift-ordered fluid vorticity equation with energy consistency

Although drift-ordered fluid models are widely applied in tokamak edge turbulence simulations, the models used are acknowledged not to conserve energy or even electrical charge. The present paper aims to remove many of the existing pitfalls in drift-fluid models, however, with the objective of finding a solution simple enough to be implemented in numerical applications. Our main result is an improved version of the drift-Braginskii equations involving a generalized vorticity function. In the new drift-Braginskii system, the quasi-neutrality condition translates into a transport equation for a generalized vorticity, expressed in conservation form, and related to the total mass-weighted circulation. It is found that kinetic energy conservation can be achieved if the polarization flow is defined recursively. In conclusion, the resulting model conserves the kinetic energy associated with E×B and diamagnetic flows and retains the associated perpendicular kinetic energy flux.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Developments on two lithium vapor-box linear test-stand experiments

The lithium vapor-box divertor is a possible fusion power exhaust solution.It uses condensation pumping to create a gradient of vapor density in a divertor slot; this should allow a stable detachment front without active feedback.As initial explorations of the concept, two test stands which take the form of three connected cylindrical stainless steel boxes are being developed: one without plasma at PPPL, to test models of lithium evaporation and flow; and one for the linear plasma device Magnum-PSI (at DIFFER in Eindhoven, The Netherlands) to test the ability of a lithium vapor cloud to induce volumetric detachment and redistribute the plasma power.The first experiment uses boxes with diameters of 6 cm, joined by apertures with diameters of 2.2 cm. Up to 1 g of Li is placed in one box, which is heated to up to 600 degrees C. The Li evaporates, then flows to and condenses in the two other, cooler boxes over several minutes. The quantity of Li transported is assessed by weighing the boxes before and after the heating cycle, and is compared to the quantity predicted to flow for the box at its measured temperature using a Direct Simulation Monte Carlo code, SPARTA. With good experimental conditions, the two values agree to within 15%.The experiment on Magnum-PSI is in the conceptual design stage.The design is assessed by simulations using the code B2.5-Eunomia.They show that when the hydrogen-ion plasma beam, with n_e = 4e20 per cubic meter, T_e = 1.5 eV, and r = 1 cm, is passed through a 16 cm long, 12 Pa, 625 degree C Li vapor cloud, the plasma heat flux and pressure on the target are significantly reduced compared to the case without Li.With the Li present, the plasma is cooled by excitation of Li neutrals followed by radiation until it volumetrically recombines, lowering the heat flux from 3.7 MW/m^2 to 0.13 MW/m^2, and the pressure is reduced by 93%, largely by collisions of hydrogen ions with neutral Li.

divertor↗

Atmospheric-pressure ionization and fragmentation of molecules for structural elucidation

A solution-cathode glow discharge mass spectrometry (SCGD-MS) apparatus comprises a SCGD source and a mass spectrometer. The SCGD source may comprise conductive rods, a power source, and a capillary. A method for ionizing an analyte comprises flowing an electrically conductive liquid onto a conductive rod, applying an electric potential to a second conductive rod such that a plasma discharge forms between the first conductive rod and the electrically conductive liquid to produce ions, and separating the ions in a mass spectrometer. The analyte may be a polypeptide that may be contacted with trypsin. The analyte may be a solid, liquid, gas, chemical complex, or ion in solution. The method may comprise sequencing the polypeptide.

Shelley, Jacob T.↗

Properties of molecular clumps and cores in colliding magnetized flows

ABSTRACT We simulate the formation of molecular clouds in colliding flows of warm neutral medium with the adaptive mesh refinement code flash in eight simulations with varying initial magnetic field strength, between 0.01–5 μG. We include a chemical network to treat heating and cooling and to follow the formation of molecular gas. The initial magnetic field strength influences the fragmentation of the forming cloud because it prohibits motions perpendicular to the field direction and hence impacts the formation of large-scale filamentary structures. Molecular clump and core formation occurs anyhow. We identify 3D clumps and 3D cores, which are defined as connected, CO-rich regions. Additionally, 3D cores are heavily shielded. While we do not claim those 3D objects to be directly comparable to observations, this enables us to analyse their full virial state. With increasing field strength, we find more fragments with a smaller average mass; yet the dynamics of the forming clumps and cores only weakly depends on the initial magnetic field strength. The molecular clumps are mostly unbound, probably transient objects, which are weakly confined by ram pressure or thermal pressure, indicating that they are swept up by the turbulent flow. They experience significant fluctuations in the mass flux through their surface, such that the Eulerian reference frame shows a dominant time-dependent term due to their indistinct nature. We define the cores to encompass highly shielded molecular gas. Most cores are in gravitational-kinetic equipartition and are well described by the common virial parameter $\alpha _\mathrm{vir}$, while some undergo minor dispersion by kinetic surface effects.

Weis, M. (ORCID:0000000256838860)↗

Linear and Nonlinear Solvers for Simulating Multiphase Flow within Large-Scale Engineered Subsurface Systems

Simulation of multiphase flow in the subsurface is well-known to be computationally challenging. While there have been many studies that have explored approaches to overcoming these challenges, they often utilize relatively simple case studies. In this paper, we focus on the unique numerical challenges posed by modeling large-scale engineered subsurface systems, characterized by discrete features embedded in a heterogeneous natural subsurface setting. The man-made features such as shafts, tunnels, and barriers often cause multiple challenges in modeling the domain for multiphase porous media flow. This flow scenario can have a wide range of applications such as nuclear waste repositories, enhanced recovery of a petroleum reservoir, geothermal engineering, and carbon sequestration. An example of these severe numerical challenges is the case of performance assessment (PA) for Waste Isolation Pilot Plant (WIPP), the only operating deep geological repository in the US, which simulates extreme material properties of bedded salt rock formation and extreme contrast due to open excavation next to the formation. The models have extremes not only of permeability and porosity but also of the constitutive models needed for multiphase flow; additionally, they have process models like salt creep closure reducing porosity over time, fracturing in clay and anhydrite interbeds of the bedded salt, gas generation from the waste materials, and unintentional human borehole intrusions in some scenarios. Numerical simulations require the solution of coupled systems of nonlinear PDEs; in our work, we use the open-source simulator PFLOTRAN which is based on Finite Volume discretization. The solution of the nonlinear equations requires use of the Newton-Raphson iteration at each time step, which entails the solution of the linearized Jacobian system at each iteration. The effects of all the processes (i.e., large number of unknowns, highly nonlinear constitutive relations, large contrasts in material properties in short distances) lead to an ill-conditioned Jacobian matrix that severely challenges traditional linear solver, i.e., stabilized biconjugate gradient with block Jacobi incomplete LU preconditioner (BCGS-ILU) leading to non-convergence for traditional Newton-Raphson nonlinear solver causing unacceptably long computation time for each model. This paper presents linear solvers such as constrained pressure residual (CPR) two-stage preconditioner with alternate-block-factorization (ABF) and quasi- implicit pressure and explicit saturation (QIMPES) decouplers and flexible generalized residual solver (FGMRES). The new general-purpose nonlinear solver, Newton trust-region dogleg Cauchy (NTRDC), is also introduced to resolve extreme nonlinearities in the models. We demonstrate the effectiveness of each method relative to the default BCGS-Newton solver. The two best cases had nearly 50 times speed-up and achieved completion of a simulation in 14 hours that never completed due to non-convergence with the default solver. We also investigate the strong scalability of each method and discuss some of the deficiencies found for Block Jacobi preconditioner using parallel domain decomposition, and node packing effects of modern processor architecture.

Preconditioner, Nonlinear, Porous media, Multiphas↗

Metal ion extraction from brines

A material includes a porous particle that includes a metal ion imprinted polymer. The metal ion imprinted polymer is formed from a hydrophilic co-monomer, a metal containing polymerizable compound, and a cross-linking agent. The metal containing polymerizable compound includes at least one metal chelating ligand. The metal ion imprinted polymer includes a plurality of metal ion selective binding sites. A method includes flowing brine containing a metal ion through a reactor that includes the material. The method further includes discharging the brine from the reactor, contacting the porous particles with water, and pressurizing the reactor with carbon dioxide. The carbon dioxide reacts with the adsorbed metal ions to form a metal carbonate solution. The method further includes depressurizing the reactor to precipitate metal carbonate from the metal carbonate solution and discharging the metal carbonate solution from the reactor.

36 MATERIALS SCIENCE↗

Bead–Spring Simulation of Ionomer Melts—Studying the Effects of Chain-Length and Associating Group Fraction on Equilibrium Structure and Extensional Flow Behavior

Ionomers are associative polymers with diverse applications ranging from selective membranes and high-performance adhesives to abrasion- and chemical-resistant coatings, insulation layers, vacuum packaging, and foamed sheets. Within equilibrium melt, the ionic or associating groups are known to form thermally reversible, associative clusters whose presence can significantly affect the system’s mechanical, viscoelastic, and transport properties. It is, thus, of great interest to understand how to control such clusters’ size distribution, shape, and stability through the designed choice of polymer architecture and the ionic groups’ fraction, arrangement, and interaction strength. In this work, we represent linear associating polymers using a Kremer–Grest type bead–spring model and perform large-scale MD simulations to explore the effect of polymer chain-length (l) and fraction (f s ) of randomly placed associating groups on the size distribution and stability of formed clusters. We consider different chain-lengths (below and above entanglement), varying fractions of associating groups (represented by ‘sticky’ beads) between 5 and 20%, and a fixed sticky–sticky nonbond interaction strength of four times that between regular non-associating beads. For all melts containing associating groups the equilibrium structure factor S(q) displays a signature ionomer peak at low wave vector q whose intensity increases with increasing f s and l. The average cluster size Nc increases with f s . However, the effect of chain-length on Nc appears to be pronounced only at higher values of f s . Under extensional flows, the computed stress (and viscosity) is higher at higher f s and l regardless of strain rate. Beyond a critical strain rate, we observe fragmentation of the associative clusters, which has interesting effects on the stress/viscous response.

36 MATERIALS SCIENCE↗

Reactive Flows in Porous Media: Challenges in Theoretical and Numerical Methods

We review theoretical and computational research, primarily from the past 10 years, addressing the flow of reactive fluids in porous media. The focus is on systems where chemical reactions at the solid–fluid interface cause dissolution of the surrounding porous matrix, creating nonlinear feedback mechanisms that can often lead to greatly enhanced permeability. Here, we discuss insights into the evolution of geological forms that can be inferred from these feedback mechanisms, as well as some geotechnical applications such as enhanced oil recovery, hydraulic fracturing, and carbon sequestration. Until recently, most practical applications of reactive transport have been based on Darcy-scale modeling, where averaged equations for the flow and reactant transport are solved. We summarize the successes and limitations of volume averaging, which leads to Darcy-scale equations, as an introduction to pore-scale modeling. Pore-scale modeling is computationally intensive but offers new insights as well as tests of averaging theories and pore-network models. We include recent research devoted to validation of pore-scale simulations, particularly the use of visual observations from microfluidic experiments.

wormhole formation↗

Mechanism of O 2 Activation and Cysteine Oxidation by the Unusual Mononuclear Cu(I) Active Site of the Formylglycine-Generating Enzyme

The formylglycine-generating enzyme (FGE) catalyzes the selective oxidation of a peptidyl-cysteine to form formylglycine, a critical cotranslational modification for type I sulfatase activation and a useful bioconjugation handle. Previous studies have shown that the substrate peptidyl-cysteine binds to the linear bis-thiolate Cu(I) site of FGE to form a trigonal planar tris-thiolate Cu(I) structure that activates O 2 for the oxidation of the C β –H of the cysteine substrate via an unknown mechanism. Here, we employed a combination of stopped-flow kinetic, spectroscopic (UV–vis absorption, XAS, and EPR), and computational (DFT/TD-DFT calculations) methods to observe and characterize the key intermediates in this reaction for FGE from Streptomyces coelicolor. Our results define the reaction coordinate of FGE, which involves H-atom abstraction from the C β –H bond of the cysteine substrate by a reactive Cu(II)–O 2 •– species to form the now experimentally observed Cu(I)–OOH intermediate bound to a peptidyl-thioaldehyde, which proceeds to oxidize one of the protein-derived cysteine residues to a sulfenate that is end-on O-coordinated to Cu(I). These results provide fundamental insights into how the unusual mononuclear Cu(I) site of FGE activates O 2 for cysteine oxidation and stores oxidizing equivalents during catalysis by employing a Cu(I)–sulfenate intermediate with an end-on O-coordination that is unprecedented in biology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗