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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Spent fuel utilization in a compact traveling wave reactor

In recent years, several innovative designs of nuclear reactors are proposed. One of them is Traveling Wave Reactor (TWR). The unique characteristic of a TWR is the capability of breeding its own fuel in the reactor. The reactor is fueled by mostly depleted, natural uranium or spent nuclear fuel and a small amount of enriched uranium to initiate the fission process. Later on in the core, the reactor gradually converts the non-fissile material into the fissile in a process like a traveling wave. In this work, a TWR with spent nuclear fuel blanket was studied. Several parameters such as reactivity coefficients, delayed neutron fraction, prompt neutron generation lifetime, and fission power, were analyzed. The discharge burnup composition was also analyzed. The calculation is performed by a continuous energy Monte Carlo code McCARD.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Accurate quantum dynamics calculations using symmetrized Gaussians on a doubly dense Von Neumann lattice

In a series of earlier articles [B. Poirier, J. Theor. Comput. Chem. 2, 65 (2003); B. Poirier and A. Salam, J. Chem. Phys. 121, 1690 (2004); and ibid. 121, 1704 (2004)], a new method was introduced for performing exact quantum dynamics calculations. The method uses a 'weylet' basis set (orthogonalized Weyl-Heisenberg wavelets) combined with phase space truncation, to defeat the exponential scaling of CPU effort with system dimensionality-the first method ever able to achieve this long-standing goal. Here, we develop another such method, which uses a much more convenient basis of momentum-symmetrized Gaussians. Despite being non-orthogonal, symmetrized Gaussians are collectively local, allowing for effective phase space truncation. A dimension-independent code for computing energy eigenstates of both coupled and uncoupled systems has been created, exploiting massively parallel algorithms. Results are presented for model isotropic uncoupled harmonic oscillators and coupled anharmonic oscillators up to 27 dimensions. These are compared with the previous weylet calculations (uncoupled harmonic oscillators up to 15 dimensions), and found to be essentially just as efficient. Coupled system results are also compared to corresponding exact results obtained using a harmonic oscillator basis, and also to approximate results obtained using first-order perturbation theory up to the maximum dimensionality for which the latter may be feasibly obtained (four dimensions).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effect of strain along C-axis NbS{sub 2}

We have studied electronic properties of double layered hexagonal structure of the Niobium Di-Sulphide (2H-NbS{sub 2}) superconductor for various strains introduced along the c-axis using ab-initio calculations. The DFT calculations based on Full Potential Linearized Augmented Plane Wave (FPLAPW) method are performed using the ELK code. The total energy curve (E vs a), Density of States (DOS) and the Band structure calculations obtained in this work are matching with the earlier reports. The Pressure-Volume (P-V) diagram for 2H-NbS{sub 2} was obtained using the Equation of State(EOS) calculations, which provides the relationship between the pressure and strain applied along the c-axis. The band structures for various strains ranging from 0 percent to 10 percent along c-axis in steps of 2 percent are obtained. We note that there are increasing number of bands crossing over the Fermi energy level with increase in strain. Thus, we conclude that with increasing strain along c-axis, number of conduction bands crossing the E{sub F} increases, which gives rise to more conduction states and hence higher conductivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Neutron flux and power in RTP core-15

PUSPATI TRIGA Reactor achieved initial criticality on June 28, 1982. The reactor is designed to effectively implement the various fields of basic nuclear research, manpower training, and production of radioisotopes. This paper describes the reactor parameters calculation for the PUSPATI TRIGA REACTOR (RTP); focusing on the application of the developed reactor 3D model for criticality calculation, analysis of power and neutron flux distribution of TRIGA core. The 3D continuous energy Monte Carlo code MCNP was used to develop a versatile and accurate full model of the TRIGA reactor. The model represents in detailed all important components of the core with literally no physical approximation. The consistency and accuracy of the developed RTP MCNP model was established by comparing calculations to the available experimental results and TRIGLAV code calculation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

A new generation of effective core potentials: Selected lanthanides and heavy elements

Here, we construct correlation-consistent effective core potentials (ccECPs) for a selected set of heavy atoms and ƒ-elements that are of significant current interest in materials and chemical applications, including Y, Zr, Nb, Rh, Ta, Re, Pt, Gd, and Tb. As is customary, ccECPs consist of spin orbit averaged relativistic effective potential (AREP) and effective spin-orbit (SO) terms. For the AREP part, our constructions are carried out within a relativistic coupled-cluster framework while also taking into account objective function one-particle characteristics for improved convergence in optimizations. The transferability is adjusted using binding curves of hydride and oxide molecules. We address the difficulties encountered with ƒ-elements, such as the presence of large cores and multiple near-degeneracies of excited levels. For these elements, we construct ccECPs with core valence partitioning that includes 4ƒ-subshell in the valence space. The developed ccECPs achieve an excellent balance between accuracy, size of the valence space, and transferability and are also suitable to be used in plane wave codes with reasonable energy cutoffs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Application of MELCOR for Simulating Molten Salt Reactor Accident Source Terms

Molten Salt Reactor (MSR) systems can be divided into two basic categories: liquid-fueled MSRs in which the fuel is dissolved in the salt, and solid-fueled systems such as the Fluoride-salt-cooled High-temperature Reactor (FHR). The molten salt provides an impediment to fission product release as actinides and many fission products are soluble in molten salt. Nonetheless, under accident conditions, some radionuclides may escape the salt by vaporization and aerosol formation, which may lead to release into the environment. Here, we present recent enhancements to MELCOR to represent the transport of radionuclides in the salt and releases from the salt. Some soluble but volatile radionuclides may vaporize and subsequently condense to aerosol. Insoluble fission products can deposit on structures. Thermochimica, an open-source Gibbs Energy Minimization (GEM) code, has been integrated into MELCOR. With the appropriate thermochemical database, Thermochimica provides the solubility and vapor pressure of species as a function of temperature, pressure, and composition, which are needed to characterize the vaporization rate and the state of the salt with fission products. Since thermochemical databases are still under active development for molten salt systems, thermodynamic data for fission product solubility and vapor pressure may be user specified. This enables preliminary assessments of fission product transport in molten salt systems. In this paper, we discuss modeling of soluble and insoluble fission product releases in a MSR with Thermochimica incorporated into MELCOR. Separate-effects experiments performed as part of the Molten Salt Reactor Experiment in which radioactive aerosol was released are discussed as needed for determining the source term.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2013

NUMERICAL SIMULATIONS OF SPICULE ACCELERATION

Observations in the H{alpha} line of hydrogen and the H and K lines of singly ionized calcium on the solar limb reveal the existence of structures with jet-like behavior, usually designated as spicules. The driving mechanism for such structures remains poorly understood. Sterling et al. shed some light on the problem mimicking reconnection events in the chromosphere with a one-dimensional code by injecting energy with different spatial and temporal distributions and tracing the thermodynamic evolution of the upper chromospheric plasma. They found three different classes of jets resulting from these injections. We follow their approach but improve the physical description by including non-LTE cooling in strong spectral lines and non-equilibrium hydrogen ionization. Increased cooling and conversion of injected energy into hydrogen ionization energy instead of thermal energy both lead to weaker jets and smaller final extent of the spicules compared with Sterling et al. In our simulations we find different behavior depending on the timescale for hydrogen ionization/recombination. Radiation-driven ionization fronts also form.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

MONTE CARLO NEUTRINO TRANSPORT THROUGH REMNANT DISKS FROM NEUTRON STAR MERGERS

We present Sedonu, a new open source, steady-state, special relativistic Monte Carlo (MC) neutrino transport code, available at bitbucket.org/srichers/sedonu. The code calculates the energy- and angle-dependent neutrino distribution function on fluid backgrounds of any number of spatial dimensions, calculates the rates of change of fluid internal energy and electron fraction, and solves for the equilibrium fluid temperature and electron fraction. We apply this method to snapshots from two-dimensional simulations of accretion disks left behind by binary neutron star mergers, varying the input physics and comparing to the results obtained with a leakage scheme for the cases of a central black hole and a central hypermassive neutron star. Neutrinos are guided away from the densest regions of the disk and escape preferentially around 45° from the equatorial plane. Neutrino heating is strengthened by MC transport a few scale heights above the disk midplane near the innermost stable circular orbit, potentially leading to a stronger neutrino-driven wind. Neutrino cooling in the dense midplane of the disk is stronger when using MC transport, leading to a globally higher cooling rate by a factor of a few and a larger leptonization rate by an order of magnitude. We calculate neutrino pair annihilation rates and estimate that an energy of 2.8 × 10{sup 46} erg is deposited within 45° of the symmetry axis over 300 ms when a central BH is present. Similarly, 1.9 × 10{sup 48} erg is deposited over 3 s when an HMNS sits at the center, but neither estimate is likely to be sufficient to drive a gamma-ray burst jet.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Reconstruction of dark energy and expansion dynamics using Gaussian processes

An important issue in cosmology is reconstructing the effective dark energy equation of state directly from observations. With few physically motivated models, future dark energy studies cannot only be based on constraining a dark energy parameter space, as the errors found depend strongly on the parametrisation considered. We present a new non-parametric approach to reconstructing the history of the expansion rate and dark energy using Gaussian Processes, which is a fully Bayesian approach for smoothing data. We present a pedagogical introduction to Gaussian Processes, and discuss how it can be used to robustly differentiate data in a suitable way. Using this method we show that the Dark Energy Survey - Supernova Survey (DES) can accurately recover a slowly evolving equation of state to σ{sub w} = ±0.05 (95% CL) at z = 0 and ±0.25 at z = 0.7, with a minimum error of ±0.025 at the sweet-spot at z ∼ 0.16, provided the other parameters of the model are known. Errors on the expansion history are an order of magnitude smaller, yet make no assumptions about dark energy whatsoever. A code for calculating functions and their first three derivatives using Gaussian processes has been developed and is available for download.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Nonuniform Absorption and Scattered Light in Direct-Drive Implosions Driven by Polarization Smoothing

Laser-direct-drive symmetric implosions on OMEGA illuminate a target with 60 laser beams and are designed to produce spherical implosions. Each beam is smoothed using orthogonal polarizations obtained by passing through distributed polarization rotators (DPR’s). Observations of the scattered light from OMEGA implosions do not show the expected symmetry and have much larger variation than standard predictions. For the first time, we have quantified the scattered-light nonuniformity from individual beams and identified the DPR’s as the source of the enhanced nonuniformity. An instrument was invented that isolated and measured the variation in the intensity and polarization of the light scattered from each OMEGA beam. The asymmetric intensity and polarization measurements are explained when the on-target offsets between the two orthogonal polarizations produced by the DPR’s are modeled using a 3-D cross-beam energy transfer (CBET) code that tracks the polarizations of each beam. The time-integrated nonuniformity in laser absorption and scattered light due to CBET and the DPR polarization offsets during high-performance OMEGA implosions is predicted to be significant and dominated by low spherical harmonic mode numbers. Further, the nonuniformity is predicted to be greatly reduced by replacing the DPR’s with new optics that create smaller offsets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Setup and verification of a SCALE/KENO platform for generic FHR benchmark calculations

The work presented in this article is preliminary to downstream analysis of a generic fluoride salt-cooled high-temperature reactor (gFHR) core performed by the University of Tennessee in collaboration with Kairos Power (KP). A Monte Carlo transport model of the publicly available gFHR equilibrium core is developed in SCALE/KENO with multigroup energy treatment. Several output quantities of interest are used to verify the simulations against a benchmark model developed by KP using the continuous energy Monte Carlo code Serpent 2. Good agreement is seen in flux and fission rate profiles with a maximum relative difference of 1.4% and 2.8% respectively. Furthermore, an effective multiplication factor bias of 44 pcm was observed between the two simulations. The fuel temperature reactivity coefficient calculated with SCALE is within uncertainty to the reference model. This verification acts as a publicly reproducible benchmark for the gFHR in SCALE/KENO. A simplified depletion model is also presented where a single fuel pebble is depleted to discharge burnup through the equilibrium core while the equilibrium core is assumed to be invariant. This method produces results that intercept the equilibrium core concentrations in every case, however, an interesting artifact of this particular depletion model is uncovered. The phenomenon is shown to be a fundamental feature of the differential rate equations and inspires questions about how this system behaves when the time evolution of the equilibrium core is considered. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

VERA BWR progression problems

During the first phase of the Consortium for Advanced Simulation of Light Water Reactors (CASL) program, the Virtual Environment for Reactor Applications (VERA) was developed with a focus on capabilities for high-fidelity, multiphysics simulation of pressurized water reactors (PWRs). During this development effort, a set of progression problems was created ranging from smaller pin cell calculations to larger 3D full-core calculations. These progression problems helped to guide the development of the software and served as benchmarks against which to test VERA. Since 2019, efforts have been made to extend the capabilities of VERA to model boiling water reactors (BWRs). Because BWR simulations come with many unique challenges, a set of BWR progression problems was developed to aid in this new effort. The BWR progression problems range from 2D lattice calculations to 3D mini-core problems, and reference neutronic solutions were computed using continuous-energy Monte Carlo codes. MPACT, one of the neutronics code in VERA, was benchmarked using the BWR progression problems. The code is capable of computing solutions to all problems. The eigenvalues computed by MPACT agree well with the Monte Carlo reference solutions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

High-performance and high-fidelity Monte Carlo solutions to the BEAVRS benchmark

The BEAVRS (Benchmark for Evaluation and Validation of Reactor Simulation) benchmark is solved by PRAGMA, the GPU-based continuous energy Monte Carlo code. The resulting solutions are comprised of the detailed simulation results of two cycles, each of which consists of the zero power physics test (ZPPT) and the core depletion calculations. The ZPPT consists of characteristic parameters, such as critical boron concentration (CBC), control rod bank worth, isothermal temperature coefficients, and assembly-wise detector signal, which are compared with measured data provided by the benchmark administration. The core depletion calculations were performed for both the hot full power and the load follow modes, and the comparison was made with the measured or deduced CBCs and assembly-wise detector signals. In the load follow calculations, the operating power history was approximately applied to simulate the real operation as closely as possible. PRAGMA performed the various calculations with a tremendous number of histories ranging up to hundreds of millions per cycle, exploiting GPUs' massively parallel performance. The load follow run time was shorter than 16 hours on a single rack of computing nodes mounded with 24 gaming GPUs with a remarkable agreement with the measurements for most comparisons. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

EGS Collab Testbed 1: Temperature profile

This submission includes an input file, plot file, Fortran conversion file, and 3D data file from the simulation of the temperature profile within the Test Bed #1 of the EGS Collab project. The simulation was executed with PNNL's STOMP-GT simulator, which reads the input file, and produces the STOMP-GT Simulated 2D Temperature Distribution Data (plot.001302 file). The Fortran conversion file, converts the STOMP-GT Simulated 2D Temperature Distribution Data (plot.001302) 2D results in local coordinates to 3D results in Homestake coordinates.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

EGS Collab Experiment 1: Circulation Testing Processed data

This submission includes processed and reduced data for circulation testing that was conducted at the 164' fracture on the 4850 ft level of the Sanford Underground Research Facility. The circulation tests were done to test the flow through the 164' fracture in the EGS Collab Experiment 1 testbed on the 4850 ft level of the Sanford Underground Research Facility in order to validate computer models concerned with flow processes and heat exchange processes in EGS. This data was processed from raw data that is available in the GDR submission linked below: "EGS Collab Circulation Testing Raw Data and Documentation." Python scripts used to process and reduce the data are included. The scripts also serve as "documentation" as well as examples for data processing. More information about the test itself as well as the rationale and process of data processing is available at wiki page linked below.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

GOOML Big Kahuna Forecast Modeling and Genetic Optimization Files

This submission includes example files associated with the Geothermal Operational Optimization using Machine Learning (GOOML) Big Kahuna fictional power plant, which uses synthetic data to model a fictional power plant. A forecast was produced using the GOOML data model framework and fictional input data, and a genetic optimization is included which determines optimal flash plant parameters. The inputs and outputs associated with the forecast and genetic optimization are included. The input and output files consist of data, configuration files, and plots. A link to the Physics-Guided Neural Networks (phygnn) GitHub repository is also included, which augments a traditional neural network loss function with a generic loss term that can be used to guide the neural network to learn physical or theoretical constraints. phygnn is used by the GOOML framework to help integrate its machine learning models into the relevant physics and engineering applications. Note that the data included in this submission are intended to provide a demonstration of GOOML's capabilities. Additional files that have not been released to the public are needed for users to run these models and reproduce these results. Units can be found in the readme data resource.

15 GEOTHERMAL ENERGY↗
DOE OSTI2010

Comparison of the Monte Carlo Adjoint-Weighted and Differential Operator Perturbation Methods

Two perturbation theory methodologies are implemented for k-eigenvalue calculations in the continuous-energy Monte Carlo code, MCNP6. A comparison of the accuracy of these techniques, the differential operator and adjoint-weighted methods, is performed numerically and analytically. Typically, the adjoint-weighted method shows better performance over a larger range; however, there are exceptions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2010

Clean Energy Policy Analyses: Analysis of the Status and Impact of Clean Energy Policies at the Local Level

This report takes a broad look at the status of local clean energy policies in the United States to develop a better understanding of local clean energy policy development and the interaction between state and local policies. To date, the majority of clean energy policy research focuses on the state and federal levels. While there has been a substantial amount of research on local level climatechange initiatives, this is one of the first analyses of clean energy policies separate from climate change initiatives. This report is one in a suite of reports analyzing clean energy and climate policy development at the local, state, and regional levels.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗