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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 775 records · Page 43

Multigroup cross section generation capability in GRIFFIN

GRIFFIN is an advanced reactor multiphysics application built on the object-oriented simulation environment (MOOSE) and is jointly developed by Idaho National Laboratory and Argonne National Laboratory. The cross section application programming interface, originally developed for the PROTEUS code, has been integrated into GRIFFIN to prepare cross sections for thermal reactor applications with heterogeneous geometries. Additional improvements have been made by implementing an on-the-fly slowing down method, a double heterogeneity treatment capability, and updating the procedure to generate the fine multigroup library. The cross section preparation capability in GRIFFIN was verified for graphite-moderated TRISO fuel-based reactor benchmark problems: unit-cell problems of VHTR and EMPIRE micro reactor and HTTR assembly problems. Eigenvalues and multigroup cross sections of GRIFFIN agreed very well with those of the continuous-energy Monte Carlo code Serpent2 within 200 pcm in eigenvalue and 2% in cross sections. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

An Improved Energy Deposition Model in MPACT and Explicit Heat Generation Coupling with CTF

The default energy deposition model in the CASL neutronics code MPACT assumes all fission energy is deposited locally in fuel rods. Furthermore, equilibrium delayed energy release is assumed for both steady-state and transient calculations. These approximations limit the accurate representation of the heat generation distribution in space and its variations over time, which are essential for power distribution and thermal-hydraulic coupling calculations. In this paper, an improved energy deposition model is presented in both the spatial and time domains. Spatially, the energy deposition through fission, neutron capture, and slowing-down reactions are explicitly modeled to account for the heat generation from all regions of a reactor core, and a gamma smearing scheme is developed that utilizes the gamma sources from neutron fission and capture. In the time domain, the delayed energy release is modeled by solving an additional equation of delayed heat emitters, similar to the equation of delayed neutron precursors.To allow the explicit heat generation coupling, the interfaces between MPACT and CTF were updated to transfer separate heat sources for different material regions (fuel, clad, moderator and guide tube). The results show that the distributions of the energy deposition between MPACT and MCNP agree very well for various 2-D assembly and quarter-core problems without TH feedback. The MPACT/CTF coupled calculation for the hot full power quarter-core case exhibited a reduced peak pin power by 2.3% and a reduced peak fuel centerline temperature by 17 K when using the explicit energy deposition and heat transfer. The new model also shows a maximum 100 pcm keff effect on assembly depletion problems and an increased overall energy release by 7% in a PWR reactivity-initiated accident (RIA) problem.

Liu, Yuxuan↗

Modeling crossed-beam energy transfer for inertial confinement fusion

We developed a numerical code that describes both the energy transfer occurring when two or more laser beams overlap in a weakly non-homogeneous plasma, and the beam energy losses associated with the electron-ion collisions. The numerical solutions are validated with both the exact analytical solutions in homogeneous plasmas, and with new approximate analytical solutions in non-homogeneous plasmas that include the aforementioned inverse bremsstrahlung effect. Comparisons with kinetic particle-in-cell simulations are satisfactory, provided the acoustic wave-breaking limit and the self-focusing regime are not reached. An application of the Cross-Beam Energy Transfer model is shown for a typical case of indirect-drive implosion in a gold hohlraum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Kinetic Model of HoxEFU reduction by NADH [SWR-26-087]

This repository is used to release code generated for manuscripts on the Photosynthetic Energy Transduction core program. This code simulates the reduction of HoxEFU by NADH. The electro transfer rate constants for the simulation are specified in the .csv files. The two .csv files correspond tot he two models described in Dawson et al. Cell. Rep. Phys. Sci. 2026. The code utilizes a chemical master equation, a set of differential equations, defining the time evolution of the oxidation and reduction kinetics of NAD+, NADH, a FMN flavin, and a set of iron sulfur clusters. The kinetics of HoxEFU reduction by NADH are evaluated by numerical integration of the chemical master equation using a variable-time-step Runge-Kutta algorithm.

Dahl, Peter [National Laboratory of the Rockies (N↗

Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling

Inositol diphosphates (PP-IPs), also known as inositol pyrophosphates, are high-energy cellular signaling codes involved in nutrient and regulatory responses. We report that the evolutionarily conserved gene product, Vip1, possesses autonomous kinase and pyrophosphatase domains capable of synthesis and destruction of D-1 PP-IPs. Our studies provide atomic-resolution structures of the PP-IP products and unequivocally define that the Vip1 gene product is a highly selective 1-kinase and 1-pyrophosphatase enzyme whose activities arise through distinct active sites. Kinetic analyses of kinase and pyrophosphatase parameters are consistent with Vip1 evolving to modulate levels of 1-IP 7 and 1,5-IP 8 . Individual perturbations in kinase and pyrophosphatase activities in cells result in differential effects on vacuolar morphology and osmotic responses. Analogous to the dual-functional key energy metabolism regulator, phosphofructokinase 2, Vip1 is a kinase and pyrophosphatase switch whose 1-PP-IP products play an important role in a cellular adaptation.

59 BASIC BIOLOGICAL SCIENCES↗

Use of Covariances in a Consistent Data Assimilation for Improvement of Basic Nuclear Parameters in Nuclear Reactor Applications: From Meters to Femtometers

Recognition of the key role physics plays in innovative reactor design was already made clear by E. Wigner in his warning: “It has been a bit forgotten that in all really creative thinking in reactor design, a working knowledge of nuclear reaction theory is required.” More recently, extensive sensitivity and uncertainty studies and the availability of new covariance data have allowed preliminary quantification of the impact of current nuclear data uncertainties on the design parameters of the Generation-IV systems (both fast neutron and thermal neutron systems). Similar quantifications can be done for the parameters that characterize the associated innovative fuel cycle to insure sustainability, waste minimization and drastic reduction of the proliferation risks. In parallel, there has been a growing and very significant trend to develop a new generation of reactor simulation tools that rely more and more on first principles. It is safe to say that the next generation of innovative nuclear systems will be assessed with a completely new set of tools, more science based, in sharp contrast with what has been done in the past. However, the studies mentioned above point out that the present uncertainties in nuclear data should be significantly reduced in order to fully benefit from advances in modeling and simulation. Only a parallel effort in advanced simulation and nuclear data improvement will be able to provide designers with more general and well validated calculational tools to meet new design target accuracies. One further consideration related to the development of new advanced simulation tools is that there should be a more explicit link with the more fundamental physics parameters underlying the models used to describe cross sections that would avoid the use of processed, application-oriented, data (like multigroup cross sections). Finally, current methodologies for reducing uncertainties coming from nuclear data, which rely on the use of integral experiment information to perform statistical multigroup (i.e., energy spectrum weighted) cross section data assimilation should evolve to embrace new frontiers in advanced simulation. One of the drawbacks of the classical methodologies is related to the energy group structure and the type of neutron energy spectrum that are adopted in the assimilation (adjustment). In fact, after such an adjustment is performed, neutronic designers are then tied to this energy group structure and neutron energy spectrum when carrying out further calculations. In reality, this can be quite a limiting factor in view of the complex spectral issues that are involved in most reactor physics. This work combines novel, but proven, methodologies for overcoming these limitations. In fact, this is the first attempt to build up a link between the wealth of precise integral experiments and a basic theory of nuclear reactions. Essential ingredients of such a procedure, denominated here as assimilation, are covariances for model parameters and sensitivity matrices. The latter provide direct link between reaction theory and integral experiments. The result is a consistent data assimilation performed directly on the basic nuclear physics parameters that are being used in a variety of nuclear reaction mechanisms. The resulting improvement in their performance will consequently reduce related uncertainties when employed in reactor calculations. By using integral reactor physics experiments (meter scale), information is propagated back to the nuclear physics level (femtometers) covering a range of more than 13 orders of magnitude. The assimilation procedure should result in more accurate and more reliable evaluated data files of universal validity rather than tailored to a particular application. In fact, after data assimilation is carried out, the basic nuclear data file can be processed by a dedicated code into any energy group structure that the reactor physicist deems to be useful. On the other hand, integral experiments used in the assimilation should provide additional, possibly quite strict, constraints on the parameters entering nuclear reaction modeling, as well as the reaction models themselves. This report describes three years of combined research by Brookhaben National Lab (BNL) and Idaho National Lab (INL) on establishing viable assimilation methodology. The emphasis of this paper is on the empire code calculations to prepare the priors, sensitivity matrices and covariances for the model parameters. For completeness, we also include a short summary of the assimilation results produced by INL and reported earlier in annual reports [6], [7], [8].

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Modified Embedded Atom Method

Interatomic force and energy calculation subroutine to be used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluated the total energy and atomic forces (energy gradient) according to a cubic spline-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM) with a additional Stillinger-Weber (SW) contribution.

Rudd, R.E.↗

Modified Embedded Atom Method

Interatomic force and energy calculation subroutine to be used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluated the total energy and atomic forces (energy gradient) according to a cubic spline-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM) with a additional Stillinger-Weber (SW) contribution.

Rudd, R. E.↗

KinBot: Automated stationary point search on potential energy surfaces

KinBot is a Python code that automatically characterizes kinetically important stationary points on reactive potential energy surfaces and arranges the results into a form that lends itself easily to master equation calculations. This version of KinBot tackles C, H, O and S atom containing species and unimolecular (isomerization or dissociation) reactions. KinBot iteratively changes the geometry of the reactant to obtain initial guesses for reactive saddle points defined by KinBot’s reaction types, which are then optimized by a third-party quantum chemistry package. KinBot verifies the connectivity of the saddle points with the reactant and identifies the products through intrinsic reaction coordinate calculations. Here, new calculations can be automatically spawned from the products to obtain complete potential energy surfaces. The utilities of KinBot include conformer searches, projected frequency and hindered rotor calculations, and the automatic determination of the rotational symmetry numbers. Input files for popular RRKM master equation codes are automatically built, enabling an automated workflow all the way to the calculation of pressure and temperature dependent rate coefficients. Four examples are as follows: (i) [1,3]-sigmatropic H-migration reactions of unsaturated hydrocarbons and oxygenates are calculated to assess the relative importance of suprafacial and antrafacial reactions. (ii) Saddle points on three products of gamma-valerolactone thermal decomposition are studied and compared to literature potential energy surfaces. (iii) The previously published propene+OH reaction is reproduced to show the capability of building an entire potential energy surface. (iv) All species up to C4 in the Aramco Mech 2.0 are subjected to a KinBot search.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Comparison of Simulation Capabilities for Ducts

Typically, the cheapest way to install a central air conditioning system in residential buildings is to place the ductwork in the attic. Energy losses due to duct-attic interactions can be great, but current whole-house models are unable to capture the dynamic multi-mode physics of the interactions. The building industry is notoriously fragmented and unable to devote adequate research resources to solve this problem. Builders are going to continue to put ducts in the attic because floor space is too expensive to closet them within living space, and there are both construction and aesthetic issues with other approaches such as dropped ceilings. Thus, there is a substantial need to publicly document duct losses and the cost of energy used by ducts in attics so that practitioners, builders, homeowners and state and federal code officials can make informed decisions leading to changes in new construction and additional retrofit actions. Thus, the goal of this study is to conduct a comparison of AtticSim and EnergyPlus simulation algorithms to identify specific features for potential inclusion in EnergyPlus that would allow higher-fidelity modeling of HVAC operation and duct transport of conditioned air. It is anticipated that the resulting analysis from these simulation tools will inform energy decisions relating to the role of ducts in future building energy codes and standards.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A New On-the-Fly Sampling Method for Incoherent Inelastic Thermal Neutron Scattering Data in MCNP6

At thermal energies, the scattering of neutrons in a system is complicated by the comparable velocities of the neutron and target, resulting in competing upscattering and downscattering events. The neutron wavelength is also similar in size to the target's interatomic spacing making the scattering process a quantum mechanical problem. Because of the complicated nature of scattering at low energies, the thermal data files in ACE format used in continuous-energy Monte Carlo codes are quite large { on the order of megabytes for a single temperature and material. In this paper, a new storage and sampling method is introduced that is orders of magnitude less in size and is used to sample scattering parameters at any temperature on-the-fly. In addition to the reduction in storage, the need to pre-generate thermal scattering data tables at fine temperatures has been eliminated. This is advantageous for multiphysics simulations which may involve temperatures not known in advance. A new module was written for MCNP6 that bypasses the current S(α,β) table lookup in favor of the new format. The new on-the-fly sampling method was tested for graphite for two benchmark problems at ten temperatures: 1) an eigenvalue test with a fuel compact of uranium oxycarbide fuel homogenized into a graphite matrix, 2) a surface current test with a \broomstick" problem with a monoenergetic point source. The largest eigenvalue difference was 152pcm for T= 1200K. For the temperatures and incident energies chosen for the broomstick problem, the secondary neutron spectrum showed good agreement with the traditional S(α,β) sampling method. These preliminary results show that sampling thermal scattering data on-the-fly is a viable option to eliminate both the storage burden of keeping thermal data at discrete temperatures and the need to know temperatures before simulation runtime.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Physical Properties of Sub-galactic Clumps at 0.5 ≤ Z ≤ 1.5 in the UVUDF

We present an investigation of clumpy galaxies in the Hubble Ultra Deep Field at 0.5⩽z⩽1.5 in the rest-frame far-ultraviolet (FUV) using Hubble Space Telescope Wide Field Camera 3 broadband imaging in F225W, F275W, and F336W. An analysis of 1404 galaxies yields 209 galaxies that host 403 kpc scale clumps. These host galaxies appear to be typical star-forming galaxies, with an average of 2 clumps per galaxy and reaching a maximum of 8 clumps. We measure the photometry of the clumps and determine the mass, age, and star formation rates (SFR) using the spectral energy distribution fitting code FAST. We find that clumps make an average contribution of 19% to the total rest-frame FUV flux of their host galaxy. Individually, clumps contribute a median of 5% to the host galaxy SFR and an average of ∼4% to the host galaxy mass, with total clump contributions to the host galaxy stellar mass ranging widely from lower than 1% up to 93%. Clumps in the outskirts of galaxies are typically younger, with higher SFRs, than clumps in the inner regions. The results are consistent with clump migration theories in which clumps form through violent gravitational instabilities in gas-rich turbulent disks, eventually migrate toward the center of the galaxies, and coalesce into the bulge.

79 ASTRONOMY AND ASTROPHYSICS↗

A new relativistic viscous hydrodynamics code and its application to the Kelvin–Helmholtz instability in high-energy heavy-ion collisions

Here, we construct a new relativistic viscous hydrodynamics code optimized in the Milne coordinates. We also split the conservation equations into an ideal part and a viscous part, using the Strang spitting method. In the code a Riemann solver based on the two-shock approximation is utilized for the ideal part and the Piecewise Exact Solution (PES) method is applied for the viscous part. Furthemore, we check the validity of our numerical calculations by comparing analytical solutions, the viscous Bjorken’s flow and the Israel–Stewart theory in Gubser flow regime. Using the code, we discuss possible development of the Kelvin–Helmholtz instability in high-energy heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

University of Washington/ Northwest National Marine Renewable Energy Center Tidal Current Technology Test Protocol, Instrumentation, Design Code, and Oceanographic Modeling Collaboration: Cooperative Research and Development Final Report, CRADA Number CRD-11-452

The University of Washington (UW) - Northwest National Marine Renewable Energy Center (UW-NNMREC) and the National Renewable Energy Laboratory (NREL) will collaborate to advance research and development (R&D) of Marine Hydrokinetic (MHK) renewable energy technology, specifically renewable energy captured from ocean tidal currents. UW-NNMREC is endeavoring to establish infrastructure, capabilities and tools to support in-water testing of marine energy technology. NREL is leveraging its experience and capabilities in field testing of wind systems to develop protocols and instrumentation to advance field testing of MHK systems. Under this work, UW-NNMREC and NREL will work together to develop a common instrumentation system and testing methodologies, standards and protocols. UW-NNMREC is also establishing simulation capabilities for MHK turbine and turbine arrays. NREL has extensive experience in wind turbine array modeling and is developing several computer based numerical simulation capabilities for MHK systems. Under this CRADA, UW-NNMREC and NREL will work together to augment single device and array modeling codes. As part of this effort UW NNMREC will also work with NREL to run simulations on NREL's high performance computer system.

16 TIDAL AND WAVE POWER↗

THE OBSCURED FRACTION OF ACTIVE GALACTIC NUCLEI IN THE XMM-COSMOS SURVEY: A SPECTRAL ENERGY DISTRIBUTION PERSPECTIVE

The fraction of active galactic nucleus (AGN) luminosity obscured by dust and re-emitted in the mid-IR is critical for understanding AGN evolution, unification, and parsec-scale AGN physics. For unobscured (Type 1) AGNs, where we have a direct view of the accretion disk, the dust covering factor can be measured by computing the ratio of re-processed mid-IR emission to intrinsic nuclear bolometric luminosity. We use this technique to estimate the obscured AGN fraction as a function of luminosity and redshift for 513 Type 1 AGNs from the XMM-COSMOS survey. The re-processed and intrinsic luminosities are computed by fitting the 18 band COSMOS photometry with a custom spectral energy distribution fitting code, which jointly models emission from hot dust in the AGN torus, from the accretion disk, and from the host galaxy. We find a relatively shallow decrease of the luminosity ratio as a function of L{sub bol}, which we interpret as a corresponding decrease in the obscured fraction. In the context of the receding torus model, where dust sublimation reduces the covering factor of more luminous AGNs, our measurements require a torus height that increases with luminosity as h ∝ L{sub bol}{sup 0.3-0.4}. Our obscured-fraction-luminosity relation agrees with determinations from Sloan Digital Sky Survey censuses of Type 1 and Type 2 quasars and favors a torus optically thin to mid-IR radiation. We find a much weaker dependence of the obscured fraction on 2-10 keV luminosity than previous determinations from X-ray surveys and argue that X-ray surveys miss a significant population of highly obscured Compton-thick AGNs. Our analysis shows no clear evidence for evolution of the obscured fraction with redshift.

79 ASTRONOMY AND ASTROPHYSICS↗

The evolution of star formation activity in cluster galaxies over 0.15 < z < 1.5

We explore 7.5 billion years of evolution in the star formation activity of massive (M{sub ⋆}>10{sup 10.1} M{sub ⊙}) cluster galaxies using a sample of 25 clusters over 0.15<z<1 from the Cluster Lensing And Supernova survey with Hubble and 11 clusters over 1<z<1.5 from the IRAC Shallow Cluster Survey. Galaxy morphologies are determined visually using high-resolution Hubble Space Telescope images. Using the spectral energy distribution fitting code Code Investigating GALaxy Emission, we measure star formation rates, stellar masses, and 4000 Å break strengths. The latter are used to separate quiescent and star-forming galaxies (SFGs). From z∼1.3 to z∼0.2, the specific star formation rate (sSFR) of cluster SFGs and quiescent galaxies decreases by factors of three and four, respectively. Over the same redshift range, the sSFR of the entire cluster population declines by a factor of 11, from 0.48±0.06 Gyr{sup −1} to 0.043±0.009 Gyr{sup −1}. This strong overall sSFR evolution is driven by the growth of the quiescent population over time; the fraction of quiescent cluster galaxies increases from 28{sub −19}{sup +8}% to 88{sub −4}{sup +5}% over z ∼ 1.3 to 0.2. The majority of the growth occurs at z≳0.9, where the quiescent fraction increases by 0.41. While the sSFR of the majority of star-forming cluster galaxies is at the level of the field, a small subset of cluster SFGs have low field-relative star formation activity, suggestive of long-timescale quenching. The large increase in the fraction of quiescent galaxies above z∼0.9, coupled with the field-level sSFRs of cluster SFGs, suggests that higher-redshift cluster galaxies are likely being quenched quickly. Assessing those timescales will require more accurate stellar population ages and star formation histories.

79 ASTRONOMY AND ASTROPHYSICS↗

Energetic Light Fragment Production Capability in MCNP6

Monte Carlo Methods, Codes, and Applications group within the Computational Physics Division at Los Alamos National Laboratory has led the development of the transport code MCNP6 (Monte Carlo N-Particle transport code, version 6). MCNP6 is a general-purpose, continuous energy, generalized-geometry, time-dependent, Monte-Carlo radiation-transport code designed to track many particle types over broad ranges of energies. It is used around the world in applications ranging from radiation protection and dosimetry, nuclear-reactor design, nuclear criticality safety, detector design and analysis, decontamination and decommissioning, accelerator applications, medical physics, space research, and beyond. At lower energies, the code uses tables of evaluated nuclear data, while for higher energies (> 150 MeV), MCNP6 uses the cascade-exciton model, version 03.03 (CEM03.03), and the Los Alamos quark-gluon string model, version 03.03 (LAQGSM03.03) to model nuclear reactions. Emission of energetic heavy clusters heavier than {sup 4}He from nuclear reactions play a critical role in several applications, including electronics performance in space, human radiation dosages in space or other extreme radiation environments, proton- and hadron-therapy in medical physics, accelerator and shielding applications, and more. None of the available models are able to accurately predict emission of light fragments (LF) from arbitrary reactions. The CEM and LAQGSM event generators in MCNP6 describe quite well the spectra of fragments with sizes up to {sup 4}He across a broad range of target masses and incident energies (up to ∼ 5 GeV for CEM and up to ∼ 1 TeV/A for LAQGSM). However, they do not predict the high-energy tails of LF spectra heavier than {sup 4}He well. Most LF with energies above several tens of MeV are emitted during the precompound stage of a reaction. The 03.03 versions of CEM and LAQGSM do not account for precompound emission of LF larger than {sup 4}He. The goal of this research is to enable MCNP6 to produce high-energy light fragments. These energetic LF may be emitted by our models through three processes: Fermi breakup, preequilibrium, and coalescence. We explore the emission of light fragments through each of these mechanisms and demonstrate an improved agreement with experimental data achieved by extending precompound models to include emission of fragments heavier than {sup 4}He. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A method to generate heating and cooling schedules based on data from connected thermostats

Internet-connected thermostats are a promising new source of temperature and operational data in homes because they record inside temperatures, setpoints, and HVAC runtimes every five minutes. Over 20 million Internet-connected thermostats have already been installed in American homes. Data from about 20,000 connected thermostats were collected and organized by climate zone, number of occupants, floor area, and day type. A method was developed to create up to 40 representative temperature schedules which, together, can more accurately capture the diversity of heating and cooling behaviors. These results are suitable for input into schedules for building energy simulation models. This information enables more realistic simulations of American heating and cooling behavior, leading to more accurate estimates of energy consumption and savings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗