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DOE OSTI2017

On-the-Fly Generation of Differential Resonance Scattering Probability Distribution Functions for Monte Carlo Codes

Current Monte Carlo codes use one of three models: (1) the asymptotic scattering model, (2) the free gas scattering model, or (3) the S(α,β) model, depending on the neutron energy and the specific Monte Carlo code. This thesis addresses the consequences of using the free gas scattering model, which assumes that the neutron interacts with atoms in thermal motion in a monatomic gas in thermal equilibrium at material temperature, T. Most importantly, the free gas model assumes the scattering cross section is constant over the neutron energy range, which is usually a good approximation for light nuclei, but not for heavy nuclei where the scattering cross section may have several resonances in the epithermal region. Several researchers in the field have shown that the exact resonance scattering model is temperaturedependent, and neglecting the resonances in the lower epithermal range can under-predict resonance absorption due to the upscattering phenomenon mentioned above, leading to an over-prediction of keff by several hundred pcm. Existing methods to address this issue involve changing the neutron weights or implementing an extra rejection scheme in the free gas sampling scheme, and these all involve performing the collision analysis in the center-of-mass frame, followed by a conversion back to the laboratory frame to continue the random walk of the neutron. The goal of this paper was to develop a sampling methodology that (1) accounted for the energydependent scattering cross sections in the collision analysis and (2) was performed in the laboratory frame,avoiding the conversion to the center-of-mass frame. The energy dependence of the scattering cross section was modeled with even-ordered polynomials (2nd and 4th order) to approximate the scattering cross section in Blackshaw’s equations for the moments of the differential scattering PDFs. These moments were used to sample the outgoing neutron speed and angle in the laboratory frame on-the-fly during the random walk of the neutron. Results for criticality studies on fuel pin and fuel assembly calculations using methods developed in this dissertation showed very close comparison to results using the reference Dopplerbroadened rejection correction (DBRC) scheme.

42 ENGINEERING↗

DOE OSTI2022

Rotational symmetry relation for efficient response function generation in the coarse mesh transport method COMET

The coarse mesh transport code COMET is a continuous energy hybrid stochastic-deterministic neutronics solver with high fidelity and formidable computation speed in solving reactor core problems. Its method is based on the incident flux expansion theory. In this work, we take advantage of the local geometric symmetry in many reactor cores lattices (e.g., fuel lattices and reflector blocks) to develop relations among the flux response expansion coefficients for symmetric surfaces to further improve the computational efficiency of the COMET response function generation tool (method). This is done by a rigorous derivation of the transformation matrices for the angular and spatial expansion moments resulting from a rotation of a coarse mesh by an arbitrary angle. The relations for the response coefficients for the symmetric surfaces can be then written as the Kronecker product of those transformation matrices. The method is implemented into COMET and tested on two advanced high temperature reactor (AHTR) full-length single assembly benchmark problems. The COMET results using the response function library based on the symmetry relations were compared to those using the library directly generated by continuous energy Monte Carlo for all surfaces. It was found that the eigenvalues and stripe-wise fission densities using the two libraries are in statistical agreement as expected. This indicates that the new method maintains the high fidelity of the original COMET method while improving the computational efficiency in the response function generation by 270% to 400%, depending on the local geometric symmetry. This method also reduces the size of the response function library by the same magnitude (270% to 400%). (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2026

NGEE Arctic Integrated Modeling (IM2): Improved subgrid hillslope hydrologic connectivity

This data product represents the integration of new code capability for arctic tundra hillslope hydrologic processes into the Energy Exascale Earth System Model (E3SM), through the E3SM Land Model (ELM) component. This code integration is the result of collaborative effort between the NGEE Arctic project and the E3SM project. The current ELM represents water movement primarily through vertical processes, such as precipitation, canopy interception, evaporation, infiltration, and soil water movement. Lateral water movement—such as surface runoff, subsurface flow, and river transport—plays a significant role in the hydrological cycle, especially in regions with varied topography. While E3SM includes a runoff routing component representing water transport in the river network, the lateral transport of water at the subgrid scale within the land model has previously not been taken into account. With the recent development of topographic units within the ELM subgrid data structure, there is an opportunity to simulate hillslope hydrologic connectivity by introducing water transport along topographic gradients. We expect that more realistic representation of hillslope hydrologic processes will lead to improved predictions of both soil water content and river network flows. Lateral transport of water at and near the surface is represented as a sub-grid process in this new code development. Water is tracked as it moves from higher to lower elevations within a gridcell. This capability uses the nested hierarchical sub-grid scheme within ELM to connect water fluxes from sub-grid elements with higher elevation to those with lower elevation. This data record consists of a single document (pdf format) that describes the theoretical basis for the hillslope hydrology processes added to ELM, and describes the modifications made to the ELM code. The Methods section of this metadata record includes a link to the public E3SM code repository where the exact code modifications as integrated in E3SM can be accessed. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

Thornton, Peter E [ORNL] (ORCID:0000000247595158)↗

DOE OSTI2010

NREL Supports Development of New National Code for Hydrogen Technologies (Fact Sheet)

On December 14, 2010, the National Fire Protection Association (NFPA) issued a new national code for hydrogen technologies - NFPA 2 Hydrogen Technologies Code - which covers critical applications and operations such as hydrogen dispensing, production, and storage. The new code consolidates existing hydrogen-related NFPA codes and standards requirements into a single document and also introducesnew requirements. This consolidation makes it easier for users to prepare code-compliant permit applications and to review/approve these applications. The National Renewable Energy Laboratory helped support the development of NFPA 2 on behalf of the U.S. Department of Energy Fuel Cell Technologies Program.

HYDROGEN↗

DOE OSTI2017

Design Analysis of SNS Target StationBiological Shielding Monoligh with Proton Power Uprate

This report documents the analysis of the dose rate in the experiment area outside the Spallation Neutron Source (SNS) target station shielding monolith with proton beam energy of 1.3 GeV. The analysis implemented a coupled three dimensional (3D)/two dimensional (2D) approach that used both the Monte Carlo N-Particle Extended (MCNPX) 3D Monte Carlo code and the Discrete Ordinates Transport (DORT) two dimensional deterministic code. The analysis with proton beam energy of 1.3 GeV showed that the dose rate in continuously occupied areas on the lateral surface outside the SNS target station shielding monolith is less than 0.25 mrem/h, which complies with the SNS facility design objective. However, the methods and codes used in this analysis are out of date and unsupported, and the 2D approximation of the target shielding monolith does not accurately represent the geometry. We recommend that this analysis is updated with modern codes and libraries such as ADVANTG or SHIFT. These codes have demonstrated very high efficiency in performing full 3D radiation shielding analyses of similar and even more difficult problems.

42 ENGINEERING↗

DOE OSTI2017

The MARS Code System User’s Guide Version 15(2016)

This paper is a user’s guide to the current version of the MARS15 Monte Carlo code. MARS allows inclusive and, in many cases, exclusive simulations of three-dimensional hadronic and electromagnetic cascades and modeling of heavy ion, muon and low energy neutron-photon transport in accelerator, detector, spacecraft and shielding components. Particles can have energies from a fraction of an electronvolt up to about 100 TeV. The code has undergone substantial improvements since the last documented version MARS13(95) and since previous releases of MARS15; all these as well as other specific features of the MARS code system are explained in detail. Descriptions of general input and output with commentary and recommendations are given. Examples are given for running the program with distributed sources, complex compounds, arbitrary geometries, and magnetic fields. A built-in graphical-user interface allows the visualization and detailed analysis of the geometry description. Enhanced options are described for the MARS code being coupled with: the DPMJET hadron event generator, the MCNP code for low-energy neutron transport, the ANSYS system for thermal and stress analysis, physics analysis and graphics packages, the MAD accelerator lattice description via a universal MAD-MARS beam line builder, the STRUCT program for tracking particles in accelerator lattices with beam loss recording, the DETRA code for nuclide decay and transmutation calculations, the EGS5 code for precise modeling of low-energy electromagnetic showers, and the ROOT system for description and visualization of arbitrary geometries. Use of the code in a multistage mode, coupled with event generators (DPMJET), with the STRUCT program for tracking particles in accelerator lattices with beam loss recording, and with physics analysis and graphics packages is demonstrated with typical input and output examples.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Multiphysics Simulations of MSRE with NEAMS Thermal Hydraulics Tools

This report documents the benchmarks being developed and simulations performed using tools and codes developed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, utilizing MSRE experimental data. In FY23, three main work scopes were investigated under the NEAMS MSR work package at ANL. The first scope investigated the Griffin-SAM coupling model for simulating the pump startup transient experiment of MSRE. The analyses start with a simple model (single-channel, single-lattice), gradually adding more details (multi-channel, full-core) into the model. The results show that the reactivity loss curve is very sensitive to the axial boundary conditions and the radial core discretization. The simple model can predict a similar reactivity trend as that of the more sophisticated model, which is likely due to error cancellation. Accurately modeling the axial boundary condition may further improve the reactivity trend but would require significant efforts to generate the mesh of the MSRE inlet and upper plenum. The core channel radial discretization for the Griffin-SAM coupled model also depends on the flow distribution. Given the complex geometry in the inlet plenum, the flow distribution needed to be calculated from CFD analysis, which was performed using the NekRS code. This analysis employed a MSRE CAD model developed by Copenhagen Atomics. The CAD model was disassembled to keep the inlet plenum region only, which was subsequently cleaned and modified so that the mesh generated is under the memory limit. The results are merged to a few radial regions to show that the flow rate is highest in the central region. This would be useful for future improvement of the Griffin-SAM coupling model of the MSRE core. The last task investigated is tritium transport modeling using the standalone SAM code. This task aimed to initiate the effort to demonstrate and validate the tritium transport model implemented in SAM. The preliminary investigation employed an MSRE model consisting of the primary loop. Three tritium transport pathways were examined including the retention in the graphite, the permeation through the HX tube wall, and the removal from the off-gas system. The results compare well with the MSRE data, but improvements are still needed on the initial conditions (i.e., the present state may not have reached equilibrium), the boundary conditions, the off-gas system modeling, and a better numerical strategy to reach the equilibrium state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2014

Characterization of the fast electrons distribution produced in a high intensity laser target interaction

Experiments on the Titan laser (∼150 J, 0.7 ps, 2 × 10{sup 20} W cm{sup −2}) at the Lawrence Livermore National Laboratory were carried out in order to study the properties of fast electrons produced by high-intensity, short pulse laser interacting with matter under conditions relevant to Fast Ignition. Bremsstrahlung x-rays produced by these fast electrons were measured by a set of compact filter-stack based x-ray detectors placed at three angles with respect to the target. The measured bremsstrahlung signal allows a characterization of the fast electron beam spectrum, conversion efficiency of laser energy into fast electron kinetic energy and angular distribution. A Monte Carlo code Integrated Tiger Series was used to model the bremsstrahlung signal and infer a laser to fast electron conversion efficiency of 30%, an electron slope temperature of about 2.2 MeV, and a mean divergence angle of 39°. Simulations were also performed with the hybrid transport code ZUMA which includes fields in the target. In this case, a conversion efficiency of laser energy to fast electron energy of 34% and a slope temperature between 1.5 MeV and 4 MeV depending on the angle between the target normal direction and the measuring spectrometer are found. The observed temperature of the bremsstrahlung spectrum, and therefore the inferred electron spectrum are found to be angle dependent.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2010

CURRENT SHEET ENERGETICS, FLARE EMISSIONS, AND ENERGY PARTITION IN A SIMULATED SOLAR ERUPTION

We investigate coronal energy flow during a simulated coronal mass ejection (CME). We model the CME in the context of the global corona using a 2.5D numerical MHD code in spherical coordinates that includes coronal heating, thermal conduction, and radiative cooling in the energy equation. The simulation domain extends from 1 to 20 R{sub s} . To our knowledge, this is the first attempt to apply detailed energy diagnostics in a flare/CME simulation when these important terms are considered in the context of the MHD equations. We find that the energy conservation properties of the code are quite good, conserving energy to within 4% for the entire simulation (more than 6 days of real time). We examine the energy release in the current sheet as the eruption takes place, and find, as expected, that the Poynting flux is the dominant carrier of energy into the current sheet. However, there is a significant flow of energy out of the sides of the current sheet into the upstream region due to thermal conduction along field lines and viscous drag. This energy outflow is spatially partitioned into three separate components, namely, the energy flux flowing out the sides of the current sheet, the energy flowing out the lower tip of the current sheet, and the energy flowing out the upper tip of the current sheet. The energy flow through the lower tip of the current sheet is the energy available for heating of the flare loops. We examine the simulated flare emissions and energetics due to the modeled CME and find reasonable agreement with flare loop morphologies and energy partitioning in observed solar eruptions. The simulation also provides an explanation for coronal dimming during eruptions and predicts that the structures surrounding the current sheet are visible in X-ray observations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Processed Lab Data for Neural Network-Based Shear Stress Level Prediction

Machine learning can be used to predict fault properties such as shear stress, friction, and time to failure using continuous records of fault zone acoustic emissions. The files are extracted features and labels from lab data (experiment p4679). The features are extracted with a non-overlapping window from the original acoustic data. The first column is the time of the window. The second and third columns are the mean and the variance of the acoustic data in this window, respectively. The 4th-11th column is the the power spectrum density ranging from low to high frequency. And the last column is the corresponding label (shear stress level). The name of the file means which driving velocity the sequence is generated from. Data were generated from laboratory friction experiments conducted with a biaxial shear apparatus. Experiments were conducted in the double direct shear configuration in which two fault zones are sheared between three rigid forcing blocks. Our samples consisted of two 5-mm-thick layers of simulated fault gouge with a nominal contact area of 10 by 10 cm^2. Gouge material consisted of soda-lime glass beads with initial particle size between 105 and 149 micrometers. Prior to shearing, we impose a constant fault normal stress of 2 MPa using a servo-controlled load-feedback mechanism and allow the sample to compact. Once the sample has reached a constant layer thickness, the central block is driven down at constant rate of 10 micrometers per second. In tandem, we collect an AE signal continuously at 4 MHz from a piezoceramic sensor embedded in a steel forcing block about 22 mm from the gouge layer The data from this experiment can be used with the deep learning algorithm to train it for future fault property prediction.

15 GEOTHERMAL ENERGY↗

DOE OSTI2011

Making America's Buildings Better (Fact Sheet)

This fact sheet is an overview of the Department of Energy's Building Technologies program.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Decay Heat Quantification in the High Temperature Test Reactor

The proper calculation of decay heat is necessary for both postulated accidents as well as normal spent fuel repository safety analysis. Since the 1970s, the nuclear industry has primarily relied on the use of the ANSI/ANS-5.1 standard or one of it’s predecessors as the tool for calculating such heat. However, different reactor systems can have substantially different materials, neutron spectrums, operating characteristics, etc.…that lead to vastly different isotopic compositions in the fuel over time. The ANSI/ANS-5.1 standard is specific to Light Water Reactors, and thus may not be well suited for other systems such as high temperature gas reactors. Recent developments in the SCALE 6 code developed at Oak Ridge National Laboratory have allowed for a more accurate treatment of the complexity associated with high temperature reactor TRISO fuel. Also, the standalone isotopic depletion and generation code ORIGEN-S, a module of SCALE, has been validated against experimental data for LWRs for properly characterizing decay heat. And most recently, Japan Atomic Energy Agency has used the ORIGEN code to generate HTGR cross section libraries to be used to quantify the decay heat generated in the High Temperature Engineering Test Reactor at the Oarai Research and Development Center. Given the Idaho National Laboratory’s continued research into the viability of HTGRs as a next generation power reactor, an independent decay heat quantification analysis has been performed for a variety of fuel enrichments, TRISO particle packing fractions, and fuel temperatures using a similar approach. Furthermore, these data are then used as input into the RAVEN code developed at INL. A Reduced Order Model mathematical model in RAVEN is ‘trained’ to create a response mechanism to the various input parameters. Preliminary results demonstrate the potential for using this methodology to accurately predict decay heat generation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2010

Ro-vibrational spectra of C 2 H 2 based on variational nuclear motion calculations

A published ab initio-based potential energy surface and newly constructed dipole moment surface of acetylene have been used to compute vibrational band intensities. The line intensity calculations employed the variational nuclear motion code WAVR4 for computation of wave functions and energy levels, and a newly developed code DIPOLE4 for computation of dipole transitions. Owing to the high computational cost of J>0 transitions using direct variational methods only J=0 and J=1 states and transitions have been computed variationally. The intensities of J>1 transitions were extrapolated from J=0 and J=1 using Honl-London coefficients. The resulting effective rotational constants B and transition intensities are compared with experimental data for the (3 nu(4)+nu(5)) combination band, the nu(3) and the nu(5) fundamental band. The prospects of using this procedure for extensive calculations of a hot line list, important for cool stars and extrasolar planets are discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2018

Application of the Denovo Discrete Ordinates Radiation Transport Code to Large-Scale Fusion Neutronics

Fusion energy systems pose unique challenges to the modeling and simulation community. These challenges must be met to ensure the success of the ITER experimental fusion reactor. ITER’s complex systems require detailed modeling that goes beyond the scale of comparable simulations to date. In this work, the Denovo radiation transport code was used to calculate neutron fluence and kerma for the JET streaming benchmark. This work was performed on the Titan supercomputer at the Oak Ridge Leadership Computing Facility. Denovo is a novel three-dimensional discrete ordinates transport code designed to be highly scalable. Sensitivity studies have been completed to examine the impact of several deterministic parameters. Furthermore, results were compared against experiment as well as the MCNP and Shift Monte Carlo codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

MCNP6 Elevation Scaling of Cosmic Ray Backgrounds - Paper 29

The galactic cosmic-ray (GCR) source option was implemented in the all-energy, all-particle transport code MCNP62 in 2010. This source option along with other newly added features to MCNP6 have been used to produce increasingly accurate global cosmic and terrestrial background flux data files (background.dat).3 This data file is produced on a grid and is read and sampled by MCNP6 whenever a user invokes the background source option. The most recent adaptation of this data file, Version 4, will be completed in 2014. This paper reports on current progress toward enhancements that have been made to the modeling and simulation of these background spectra, in particular the elevation scaling used to produce more accurate spectra at off-grid locations. Cosmic radiation continuously bombards Earth with various particles, such as protons, alpha particles, and heavier nuclei, some of which are deflected by the Earth's shielding magnetic field. Particles that carry sufficient momentum can overcome the deflection and penetrate into the atmosphere. The sufficient momentum is dependent on the terrestrial coordinates due to the shape of the Earth's magnetic field and the Lorentz force's proportionality to the sine of the angle between the velocity vector of the incoming particle and the magnetic field direction. As the particles propagate through the atmosphere, collisions with atmospheric molecules generate secondary particles such as neutrons, protons, photons, muons, pions, and other exotic particles. These secondary particles often have sufficient energy to undergo additional nuclear interactions, and so on, forming what is known as a cascade shower. The particles in the cascade shower are constantly undergoing energy losses due to interactions, especially charged particles whose paths are bent into helical trajectories around magnetic field lines. These energy losses make the integral flux of the cosmic background at the ground level highly dependent on the atmospheric depth traveled by the incident particle and its progeny, and therefore dependent on the elevation of the ground where the cascade deposits its energy. For relatively small depth changes of approximately 100 g/cm{sup 2} or less, the ground-level cosmic flux follows an exponential model. The tabulation of background particle fluxes on the surface of the earth is important for a variety of reasons, one of which is the design of nuclear material detection systems. This method is also useful in producing user-specified effective attenuation lengths for particles. Attenuation lengths are an essential parameter used to compare particle spectra from different locations, elevations, and energy ranges. Traditionally these attenuation lengths are inferred from measured data. Now with the ability to simulate an accurate galactic cosmic ray source and transport it and its shower through a modeled atmosphere, these attenuation lengths can be calculated for any set of conditions. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2020

Safety Codes and Standards Update (Winter 2019/2020)

The goal of the DOE OE Energy Storage System Safety Roadmap is to foster confidence in the safety and reliability of energy storage systems. There are three interrelated objectives to support the realization of that goal: research, codes and standards (C/S) and communication/coordination. The objective focused on C/S is "To apply research and development to support efforts that refocused on ensuring that codes and standards are available to enable the safe implementation of energy storage systems in a comprehensive, non-discriminatory and science-based manner."

25 ENERGY STORAGE↗

DOE OSTI2018

Codes and Standards Update September 2018

25 ENERGY STORAGE↗

DOE OSTI2018

Codes and Standards Update December 2018

25 ENERGY STORAGE↗