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At least 145 records · Page 8

Global stellarator coil optimization with quadratic constraints and objectives

Most present stellarator designs are produced by costly two-stage optimization: the first for an optimized equilibrium, and the second for a coil design reproducing its magnetic configuration. Few proxies for coil complexity and forces exist at the equilibrium stage. Rapid initial state finding for both stages is a topic of active research. Most present convex coil optimization codes use the least square winding surface method by Merkel (NESCOIL), with recent improvements in conditioning, regularization, sparsity, and physics objectives. While elegant, the method is limited to modeling the norms of linear functions in coil current. We present QUADCOIL, a global coil optimization method that targets combinations of linear and quadratic functions of the current. It can directly constrain and/or minimize a wide range of physics objectives unavailable in NESCOIL and REGCOIL, including the Lorentz force, magnetic energy, curvature, field-current alignment, and the maximum density of a dipole array. QUADCOIL requires no initial guess and runs nearly $10$ 2 x faster than filament optimization. Integrating it in the equilibrium optimization stage can potentially exclude equilibria with difficult-to-design coils, without significantly increasing the computation time per iteration. QUADCOIL finds the exact, global minimum in a large parameter space when possible, and otherwise finds a well-performing approximate global minimum. It supports most regularization techniques developed for NESCOIL and REGCOIL. We demonstrate QUADCOIL’s effectiveness in coil topology control, minimizing non-convex penalties, and predicting filament coil complexity with three numerical examples.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Merging of transport theory with the time-dependent Hartree-Fock approach: Multinucleon transfer in U + U collisions

Multinucleon transfer mechanism in the collision of 238 U + 238 U system is investigated at E c.m. = 833 MeV in the framework of the quantal diffusion description based on the stochastic mean-field approach. Double cross sections σ (N, Z ) as a function of the neutron and proton numbers, the cross sections σ (Z ) and σ (A) as a function of the atomic numbers and the mass numbers are calculated for production of the primary fragments. The calculation indicates the 238 U + 238 U system may be located at an unstable equilibrium state at the potential energy surface with a slightly negative curvature along the β stability line on the (N, Z ) plane. Here, this behavior may lead to rather large diffusion along the β stability direction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

In Vivo Thermodynamic Analysis of Glycolysis in Clostridium thermocellum and Thermoanaerobacterium saccharolyticum Using 13 C and 2 H Tracers

Clostridium thermocellum and Thermoanaerobacterium saccharolyticum are thermophilic anaerobic bacteria with complementary metabolic capabilities that utilize distinct glycolytic pathways for the conversion of cellulosic sugars to biofuels. We integrated quantitative metabolomics with 2 H and 13 C metabolic flux analysis to investigate the in vivo reversibility and thermodynamics of the central metabolic networks of these two microbes. We found that the glycolytic pathway in C. thermocellum operates remarkably close to thermodynamic equilibrium, with an overall drop in Gibbs free energy 5-fold lower than that of T. saccharolyticum or anaerobically grown Escherichia coli . The limited thermodynamic driving force of glycolysis in C. thermocellum could be attributed in large part to the small free energy of the phosphofructokinase reaction producing fructose bisphosphate. The ethanol fermentation pathway was also substantially more reversible in C. thermocellummthan in T. saccharolyticum. These observations help explain the comparatively low ethanol titers of C. thermocellum and suggest engineering interventions that can be used to increase its ethanol productivity and glycolytic rate. In addition to thermodynamic analysis, we used our isotope tracer data to reconstruct the T. saccharolyticum central metabolic network, revealing exclusive use of the Embden-Meyerhof-Parnas (EMP) pathway for glycolysis, a bifurcated tricarboxylic acid (TCA) cycle, and a sedoheptulose bisphosphate bypass active within the pentose phosphate pathway. Thermodynamics constitutes a key determinant of flux and enzyme efficiency in metabolic networks. Here, we provide new insights into the divergent thermodynamics of the glycolytic pathways of C. thermocellum and T. saccharolyticum, two industrially relevant thermophilic bacteria whose metabolism still is not well understood. We report that while the glycolytic pathway in T. saccharolyticum is as thermodynamically favorable as that found in model organisms, such as E. coli or Saccharomyces cerevisiae , the glycolytic pathway of C. thermocellum operates near equilibrium. The use of a near-equilibrium glycolytic pathway, with potentially increased ATP yield, by this cellulolytic microbe may represent an evolutionary adaptation to growth on cellulose, but it has the drawback of being highly susceptible to product feedback inhibition. The results of this study will facilitate future engineering of high-performance strains capable of transforming cellulosic biomass to biofuels at high yields and titers.

59 BASIC BIOLOGICAL SCIENCES↗

High-Temperature Gas-Cooled Pebble-Bed Reactors Running In And Transient Modeling Capabilities Demonstration

This study presents a comprehensive benchmarking and verification effort of several thermal-hydraulic and multiphysics capabilities for high-temperature gas-cooled reactor (HTGR) applications. The first part of this effort focuses on the running-in verification of Griffin's multiphysics capabilities, specifically for simulating the evolution of Pebble Bed reactor cores from startup to equilibrium. In the absence of validation data, code-to-code comparisons are conducted with Kugelpy, showing good agreement for key quantities like maximum power density and fresh core k-eigenvalue predictions. However, discrepancies in equilibrium core predictions suggest potential issues with cross sections, underscoring the need for further refinement and evaluation. The HTTF system analysis code benchmark involves RELAP5-3D, SAM, and GAMMA+ to assess their predictive capabilities for HTTF behavior under both normal operation and pressurized conduction cooldown (PCC) transient conditions. While there is good agreement in predicting major parameters such as coolant temperature, solid temperature, and flow distribution, discrepancies in transient behavior highlight differences in modeling approaches, nodalizations, and heat transfer models. The HTTF lower plenum CFD benchmark employs nekRS to simulate flow mixing phenomena, successfully capturing relevant flow physics and demonstrating mesh independence in complex geometries. Preliminary results suggest a relatively uniform temperature field but significant unsteadiness in the flow, requiring time-averaging analyses. The GPBR200 system analysis code benchmark uses SAM's core channel and porous media models, incorporating an RCCS loop for decay heat removal. During steady-state and transient conditions, including protected de-pressurized and pressurized loss of forced cooling (DLOFC and PLOFC), both models show good agreement in predicting temperature profiles and key parameters. Notably, while the core channel model underpredicts convective heat transfer effects, both models maintain temperatures well below the TRISO fuel safety limit. These benchmarking efforts collectively enhance the predictive capabilities of the tools used in HTGR design and safety analysis, guiding developments to improve their accuracy and applicability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The Importance of Solution Studies for the Structural Characterization of the Enterovirus 5’ Cloverleaf

Enteroviruses initiate genomic replication via a highly conserved mechanism that is controlled by an RNA platform, also known as the 5’ cloverleaf (5’CL). Here, we present a biophysical analysis of the 5’CL conformation of three enterovirus serotypes under various ionic conditions, utilizing CD spectroscopy, size-exclusion chromatography, and small-angle X-ray scattering. In general, a tendency toward a smaller monomeric hydrodynamic radius in the presence of salts was observed, but the exact structural signature of each 5’CL varied depending upon the serotype. Rhinovirus B14 (RVB14) exhibited at least two monomeric conformations and a low propensity for dimerization, while poliovirus 1 (PV1) showed a high propensity for dimerization, which was enhanced by the presence of salts. Enterovirus D70 was observed to be somewhat intermediate, with primarily a monomeric structure, but possessing some potential for dimerization. The equilibrium between the two monomeric and the dimeric conformations is also discussed. These results indicate that the 5’CL conformation may be more complex than the current literature suggests, thus underscoring the need for a combined crystal and solution approach for the accurate representation of the 5’CL conformation, and the conformation of other RNA structural elements, under native conditions.

Virology↗

Laboratory and modeling studies of chemistry in dense molecular clouds

A chemical evolutionary model with a large number of species and a large chemical library is used to examine the principal chemical processes in interstellar clouds. Simple chemical equilibrium arguments show the potential for synthesis of very complex organic species by ion-molecule radiative association reactions.

Huntress, W. T., Jr.↗

A Van der Waals-like theory of plasma double layers

A theory describing plasma double layers in terms of multiple roots of the charge density expression is presented. The theory presented uses the fact that equilibrium plasmas shield small potential perturbations linearly; for high potentials, the shielding decreases. The approach is analogous to Van der Waals' theory of simple fluids in which inclusion of approximate expressions for both excluded volume and long range attractive forces sufficiently describes the first-order liquid-gas phase transition.

Katz, Ira↗

Calorimetric studies of the ammonia-water system with application to the outer solar system

A series of heating experiments was performed on the condensed ammonia-water system using a differential scanning calorimeter (DSC). The water-rich samples were cooled quickly to below 130 K, then heated at a variety of rates. Rather than a single peritectic melt at 176 K, expected for the equilibrium system of water ice and ammonia dihydrate, four enthalpic transitions were repeatedly seen in the temperature range 150-176 K. These transitions are generally consistent with the earlier calorimetric results of Van Kasteren (1973), who interpreted the lowest temperature exotherm as crystallization of an amorphous ammonia-water compound formed during cooling. We propose that both sets of experiments are seeing the crystallization of ammonia monohydrate, which is metastable relative to the dihydrate, followed by partial remelting and crystallization of dihydrate upon further heating. The apparent stability of the monohydrate in the dihydrate equilibrium field implies a potentially complex behavior of ammonia-water ices in satellites. Possible self-heating of the mixture by several tens of degrees up to the 170 K eutectic could make mobilization of ammonia-water liquids in icy satellite interiors energetically easier than previously thought.

Yarger, Jeffery↗

Magnetohydrodynamic simulations of outflows from accretion disks

Magnetohydrodynamic simulations have been made of the formation of outflows from a Keplerian disk threaded by a magnetic field. The disk is treated as a boundary condition, where matter is ejected with Keplerian azimuthal speed and poloidal speed less than the slow magnetosonic velocity, and where boundary conditions on the magnetic field correspond to a highly conducting disk. Initially, the space above the disk, the corona, is filled with high specific entropy plasma in thermal equilibrium in the gravitational potential of the central object. The initial magnetic field is poloidal and is represented by a superposition of monopoles located below the plane of the disk. The rotation of the disk twists the initial poloidal magnetic field, and this twist propagates into the corona pushing and collimating matter into jetlike outflow in a cylindrical region. Matter outflowing from the disk flows and accelerates in the z-direction owing to both the magnetic and pressure gradient forces. The flow accelerates through the slow magnetosonic and Alfven surfaces and at larger distances through the fast magnetosonic surface. The flow velocity of the jet is approximately parallel to the z-axis, and the collimation results from the pinching force of the toroidal magnetic field. For a nonrotating disk no collimation is observed.

Ustyugova, G. V.↗

The Second Most Distant Cluster of Galaxies in the Extended Medium Sensitivity Survey

We report on our ASCA, Keck, and ROSAT observations of MS 1137.5+6625, the second most distant cluster of galaxies in the Einstein Extended Medium Sensitivity Survey (EMSS), at redshift 0.78. We now have a full set of X-ray temperatures, optical velocity dispersions, and X-ray images for a complete, high-redshift sample of clusters of galaxies drawn from the EMSS. Our ASCA observations of MS 1137.5 +6625 yield a temperature of 5.7 (+2.1)(-1.1) keV and a metallicity of 0.43 (+40)(-3.7) solar, with 90% confidence limits. Keck II spectroscopy of 22 cluster members reveals a velocity dispersion of 884 (+185)(-124) km 24/s. This cluster is the most distant in the sample with a detected iron line. We also derive a mean abundance at z = 0.8 by simultaneously fitting X-ray data for the two z = 0.8 clusters, and obtain an abundance of Z(sub Fe) = 0.33 (+.26)(-.23). Our ROSAT observations show that MS 1137.5+6625 is regular and highly centrally concentrated. Fitting of a Beta model to the X-ray surface brightness yields a core radius of only 71/h kpc (q(sub o) = 0.1) with Beta = 0.70(+.45)(-.15) The gas mass interior to 0.5/h Mpc is thus 1.2 (+0.2)(-0.3) X 10(exp 13) h(exp - 5/2) Solar Mass (q(sub o) = 0.1). If the cluster's gas is nearly isothermal and in hydrostatic equilibrium with the cluster potential, the total mass of the cluster within this same region is 2.1(+1.5)(-0.8) X 10exp 14)/h Solar Mass, giving a gas fraction of 0.06 +/-0.04 h (exp -3/2). This cluster is the highest redshift EMSS cluster showing evidence for a possible cooling flow (about 20-400 Solar Mass/yr). The velocity dispersion, temperature, gas fraction, and iron abundance of MS 1137.5+6625 are all statistically the same as those properties in lower red- shift clusters of similar luminosity. With this cluster's temperature now in hand, we derive a high-redshift temperature function for EMSS clusters at 0.5 < z < 0.9 and compare it with temperature functions at lower redshifts, showing that the evolution of the temperature function is relatively modest. Supplementing our high-redshift sample with other data from the literature, we demonstrate that neither the cluster luminosity-temperature relation, nor cluster metallicities, nor the cluster gas evolved with redshift. The very modest degree of evolution in the luminosity-temperature relation inferred from these data is inconsistent with the absence of evolution in the X-ray luminosity functions derived from ROSAT cluster surveys if a critical density structure formation model is assumed.

Donahue, Megan↗

Deviation of Long-Period Tides from Equilibrium: Kinematics and Geostrophy

New empirical estimates of the long-period fortnightly (Mf) tide obtained from TOPEX/Poseidon (T/P) altimeter data confirm significant basin-scale deviations from equilibrium. Elevations in the low-latitude Pacific have reduced amplitude and lag those in the Atlantic by 30 deg or more. These interbasin amplitude and phase variations are robust features that are reproduced by numerical solutions of the shallow-water equations, even for a constant-depth ocean with schematic interconnected rectangular basins. A simplified analytical model for cooscillating connected basins also reproduces the principal features observed in the empirical solutions. This simple model is largely kinematic. Zonally averaged elevations within a simple closed basin would be nearly in equilibrium with the gravitational potential, except for a constant offset required to conserve mass. With connected basins these offsets are mostly eliminated by interbasin mass flux. Because of rotation, this flux occurs mostly in a narrow boundary layer across the mouth and at the western edge of each basin, and geostrophic balance in this zone supports small residual offsets (and phase shifts) between basins. The simple model predicts that this effect should decrease roughly linearly with frequency, a result that is confirmed by numerical modeling and empirical T/P estimates of the monthly (Mm) tidal constituent. This model also explains some aspects of the anomalous nonisostatic response of the ocean to atmospheric pressure forcing at periods of around 5 days.

Egbert, Gary D.↗

Solar Wind Access to Lunar Polar Craters: Feedback Between Surface Charging and Plasma Expansion

Determining the plasma environment within permanently shadowed lunar craters is critical to understanding local processes such as surface charging, electrostatic dust transport, volatile sequestration, and space weathering. In order to investigate the nature of this plasma environment, the first two-dimensional kinetic simulations of solar wind expansion into a lunar crater with a self-consistent plasma-surface interaction have been undertaken. The present results reveal how the plasma expansion into a crater couples with the electrically-charged lunar surface to produce a quasi-steady wake structure. In particular, there is a negative feedback between surface charging and ambipolar wake potential that allows an equilibrium to be achieved, with secondary electron emission strongly moderating the process. A range of secondary electron yields is explored, and two distinct limits are highlighted in which either surface charging or ambipoiar expansion is responsible for determining the overall wake structure.

Zimmerman, M. I.↗

Comparison of Ejection Events in the Jet and Accretion Disc Outflows in 3C 111

We present a comparison of the parameters of accretion disc outflows and the jet of the broad-line radio galaxy 3C 111 on sub-pc scales. We make use of published X-ray observations of ultra-fast outflows (UFOs) and new 43 GHz VLBA images to track the jet knots ejection. We find that the superluminal jet coexists with the mildly relativistic outflows on sub-pc scales, possibly indicating a transverse stratification of a global flow. The two are roughly in pressure equilibrium, with the UFOs potentially providing additional support for the initial jet collimation. The UFOs are much more massive than the jet, but their kinetic power is probably about an order of magnitude lower, at least for the observations considered here. However, their momentum flux is equivalent and both of them are powerful enough to exert a concurrent feedback impact on the surrounding environment. A link between these components is naturally predicted in the context of MHD models for jet/outflow formation. However, given the high radiation throughput of AGNs, radiation pressure should also be taken into account. From the comparison with the long-term 2-10 keV RXTE light curve we find that the UFOs are preferentially detected during periods of increasing flux. We also find the possibility to place the UFOs within the known X-ray dips-jet ejection cycles, which has been shown to be a strong proof of the disc-jet connection, in analogue with stellar-mass black holes. However, given the limited number of observations presently available, these relations are only tentative and additional spectral monitoring is needed to test them conclusively.

Tombesi, F.↗

Vertical Structure of Gas and Dust in Four Debris Disks

We present high-spectral-resolution M-band spectra from iSHELL on NASA’s Infrared Telescope Facility along the line of sight to the debris disk host star HD 32297. We also present a Gemini Planet Imager H-band polarimetric image of the HD 131488 debris disk. We search for fundamental CO absorption lines in the iSHELL spectra of HD 32297, but do not detect any. We place an upper limit on the CO column density of ∼6×1015cm−2. By combining the column density upper limit, the CO mass measured with the Atacama Large Millimeter/submillimeter Array (ALMA), and the geometrical properties of the disk, we estimate the scale height of the CO to be 2au across the radial extent of the disk (∼80–120au). We use the same method to estimate the CO scale height of three other edge-on, CO-rich debris disks that all have CO observed in absorption with the Hubble Space Telescope as well as in emission with ALMA: β Pictoris, HD 110058, and HD 131488. We compare our estimated CO scale heights of these four systems to the millimeter dust scale heights and find that, under the assumption of hydrostatic equilibrium, there is a potential correlation between the CO and millimeter dust scale heights. There are multiple factors that affect the gas vertical structure such as turbulence, photodissociation with weak vertical mixing, as well as where the gas originates. One possible explanation for the potential correlation could be that the gas and dust are of a similar secondary origin in these four systems.

Kadin Worthen↗

Evidence for a high temperature differentiation in a molten earth: A preliminary appraisal

If the earth were molten during its later stages of accretion as indicated by the present understanding of planetary accretion process, the differentiation that led to the formation of the core and mantle must have occurred at high temperatures in the range of 3000-5000 K because of the effect of pressure on the temperature of melting in the interior of the earth. This calls into question the use of low-temperature laboratory measurements of partition coefficients of trace elements to make inferences about earth accretion and differentiation. The low temperature partition coefficients cannot be directly applied to high temperature fractionations because partition coefficients refer to an equilibrium specific to a temperature for a given reaction, and must change in some proportion to exp 1/RT. There are no laboratory data on partition coefficients at the high temperatures relevant to differentiation in the interior of the earth, and an attempt to estimate high temperature distribution coefficients of siderophile elements was made by considering the chemical potential of a given element at equilibrium and how this potential changes with temperature, under some specific assumptions.

Murthy, V. Rama↗

Vapor–liquid equilibrium of water with the MB-pol many-body potential

Among the many existing molecular models of water, the MB-pol many-body potential has emerged as a remarkably accurate model, capable of reproducing thermodynamic, structural, and dynamic properties across water's solid, liquid, and vapor phases. In this work, we assessed the performance of MB-pol with respect to an important set of properties related to vapor-liquid coexistence and interfacial behavior. Through direct coexistence classical molecular dynamics simulations at temperatures of 400 K < T < 600 K, we calculated properties such as equilibrium coexistence densities, vapor-liquid interfacial tension, vapor pressure, and enthalpy of vaporization and compared the MB-pol results to experimental data. We also compared rigid vs fully flexible variants of the MB-pol model and evaluated system size effects for the properties studied. We found that the MB-pol model predictions are in good agreement with experimental data, even for temperatures approaching the vapor-liquid critical point; this agreement was largely insensitive to system sizes or the rigid vs flexible treatment of the intramolecular degrees of freedom. Furthermore, these results attest to the chemical accuracy of MB-pol and its high degree of transferability, thus enabling MB-pol's application across a large swath of water's phase diagram.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Combined In-Plane and Through-the-Thickness Analysis for Failure Prediction of Bolted Composite Joints

Although two-dimensional methods provide accurate predictions of contact stresses and bolt load distribution in bolted composite joints with multiple bolts, they fail to capture the effect of thickness on the strength prediction. Typically, the plies close to the interface of laminates are expected to be the most highly loaded, due to bolt deformation, and they are usually the first to fail. This study presents an analysis method to account for the variation of stresses in the thickness direction by augmenting a two-dimensional analysis with a one-dimensional through the thickness analysis. The two-dimensional in-plane solution method based on the combined complex potential and variational formulation satisfies the equilibrium equations exactly, and satisfies the boundary conditions and constraints by minimizing the total potential. Under general loading conditions, this method addresses multiple bolt configurations without requiring symmetry conditions while accounting for the contact phenomenon and the interaction among the bolts explicitly. The through-the-thickness analysis is based on the model utilizing a beam on an elastic foundation. The bolt, represented as a short beam while accounting for bending and shear deformations, rests on springs, where the spring coefficients represent the resistance of the composite laminate to bolt deformation. The combined in-plane and through-the-thickness analysis produces the bolt/hole displacement in the thickness direction, as well as the stress state in each ply. The initial ply failure predicted by applying the average stress criterion is followed by a simple progressive failure. Application of the model is demonstrated by considering single- and double-lap joints of metal plates bolted to composite laminates.

Kradinov, V.↗

Electrochemical Modeling of Iodide Oxidation in Metal-Halide Molten Salts

The oxidation of iodide in NaI-AlBr 3 , NaI-AlCl 3 , and NaI-GaCl 3 molten salts was analyzed using simulation software to extract relevant kinetic parameters. The experimental oxidation potentials were ordered AlCl 3 < AlBr 3 < GaCl 3 , with higher oxidation potentials correlating with softer Lewis acidity of the metal halide. An iodide oxidation and metal halide speciation model was developed and simulated to fit the electrochemical response, enabling determination of electrochemical charge transfer parameters and chemical equilibrium constants. NaI-AlBr 3 displayed the fastest electron transfer rates yet showed the lowest current densities. All salts revealed smaller than expected current densities, explained by equilibrium between various species, where some are not electrochemically active at the studied potentials. These equilibrium reactions are due to the various metal halide species, controlling the reactant concentration of iodide and the resultant current. We hypothesize the electrochemically active iodide species, present as a metal halide monomer (MX 3 I − ), is decreased dramatically from the expected concentration, sequestered as a more stable metal halide dimer species (M 2 X 6 I − ) with a higher oxidation potential. Traditional Tafel analysis of the experimental data supports the validity of the simulations. These results increase understanding of iodide oxidation in low-temperature Lewis acidic molten salts and inform task-specific molten salt design.

Lee, Rose Y. (ORCID:0000000226587220)↗