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DOE OSTI2016

CE TSUNAMI-3D Algorithm Improvements in SCALE 6.2

The TSUNAMI (Tools for Sensitivity and Uncertainty Analysis Methodology Implementation) capabilities within the SCALE code system make use of sensitivity coefficients for an extensive number of criticality safety applications such as quantifying the data-induced uncertainty in the eigenvalue of critical systems, assessing the neutronic similarity between different systems, quantifying computational biases, and guiding nuclear data adjustment studies. The continuous-energy (CE) TSUNAMI-3D code is a new tool included in SCALE 6.2 that allows for eigenvalue and generalized response sensitivity calculations using high-fidelity CE Monte Carlo methods. This paper describes several improvements to CE TSUNAMI-3D beyond those previously published. These improvements primarily consist of - A multi-response capability for the CE TSUNAMI generalized response sensitivity calculation mode; and - Efficiency improvements in CE TSUNAMI's Iterated Fission Probability (IFP)-based algorithms. This paper documents several improvements to the CE TSUNAMI-3D sensitivity algorithms included in the SCALE 6.2 release. These improvements have enabled the simulation of multiple GPT responses within a single CE TSUNAMI simulation, a feature that increases the memory footprint of the simulations by approximately 1-3% per response and the runtime by approximately 1-2%, per response. These algorithmic improvements have also significantly improved the computational efficiency of CE TSUNAMI IFP-based sensitivity calculations, reducing the memory footprints approximately by a factor of 3 and the simulation runtimes by 10-70%. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2012

Numerical simulations for width fluctuations in compound elastic and inelastic scattering at low energies

The statistical theories - the Hauser-Feshbach model with the width fluctuation correction - play a central role in studying nuclear reactions in the fast energy region, hence the statistical model codes are essential for the nuclear data evaluations nowadays. In this paper, we revisit issues regarding the statistical model calculations in the fast energy range, such as the inclusion of the direct channels, and the energy averaged cross sections using different statistical assumptions. Although they have been discussed for a long time, we need more precise quantitative investigations to understand uncertainties coming from the models deficiencies in the fast energy range. For example, the partition of compound formation cross section into the elastic and inelastic channels depends on the elastic enhancement factor calculated from the statistical models. In addition, unitarity of S-matrix constrains this partition when the direct reactions are involved. Practically some simple assumptions, which many nuclear reaction model codes adopt, may work reasonably for the nuclear data evaluations. However, the uncertainties on the evaluated cross sections cannot go lower than the model uncertainty itself. We perform numerical simulations by generating the resonances using the R-matrix theory, and compare the energy (ensemble) averaged cross sections with the statistical theories, such as the theories of Moldauer, HRTW (Hofmann, Richert, Tepel, and Weidenmueller), KKM (Kawai-Kerman-McVoy), and GOE (Gaussian orthogonal ensemble).

Atomic and Nuclear Physics↗

DOE OSTI2017

SHARP: A Spatially Higher-order, Relativistic Particle-in-cell Code

Numerical heating in particle-in-cell (PIC) codes currently precludes the accurate simulation of cold, relativistic plasma over long periods, severely limiting their applications in astrophysical environments. We present a spatially higher-order accurate relativistic PIC algorithm in one spatial dimension, which conserves charge and momentum exactly. We utilize the smoothness implied by the usage of higher-order interpolation functions to achieve a spatially higher-order accurate algorithm (up to the fifth order). We validate our algorithm against several test problems—thermal stability of stationary plasma, stability of linear plasma waves, and two-stream instability in the relativistic and non-relativistic regimes. Comparing our simulations to exact solutions of the dispersion relations, we demonstrate that SHARP can quantitatively reproduce important kinetic features of the linear regime. Our simulations have a superior ability to control energy non-conservation and avoid numerical heating in comparison to common second-order schemes. We provide a natural definition for convergence of a general PIC algorithm: the complement of physical modes captured by the simulation, i.e., those that lie above the Poisson noise, must grow commensurately with the resolution. This implies that it is necessary to simultaneously increase the number of particles per cell and decrease the cell size. We demonstrate that traditional ways for testing for convergence fail, leading to plateauing of the energy error. This new PIC code enables us to faithfully study the long-term evolution of plasma problems that require absolute control of the energy and momentum conservation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

HVAC Design Strategy for a Hot-Humid Production Builder, Houston, Texas (Fact Sheet)

BSC worked directly with the David Weekley Homes - Houston division to redesign three floor plans in order to locate the HVAC system in conditioned space. The purpose of this project is to develop a cost effective design for moving the HVAC system into conditioned space. In addition, BSC conducted energy analysis to calculate the most economical strategy for increasing the energy performance of future production houses. This is in preparation for the upcoming code changes in 2015. The builder wishes to develop an upgrade package that will allow for a seamless transition to the new code mandate. The following research questions were addressed by this research project: 1. What is the most cost effective, best performing and most easily replicable method of locating ducts inside conditioned space for a hot-humid production home builder that constructs one and two story single family detached residences? 2. What is a cost effective and practical method of achieving 50% source energy savings vs. the 2006 International Energy Conservation Code for a hot-humid production builder? 3. How accurate are the pre-construction whole house cost estimates compared to confirmed post construction actual cost? BSC and the builder developed a duct design strategy that employs a system of dropped ceilings and attic coffers for moving the ductwork from the vented attic to conditioned space. The furnace has been moved to either a mechanical closet in the conditioned living space or a coffered space in the attic.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2014

Heating, Ventilation, and Air Conditioning Design Strategy for a Hot-Humid Production Builder

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Organic Scintillator Detector Response Simulations with DRiFT

Accurate detector modeling is a requirement to design systems in many non-proliferation scenarios; by determining a Detector’s Response Function (DRF) to incident radiation, it is possible characterize measurements of unknown sources. DRiFT is intended to post-process MCNP® output and create realistic detector spectra. Capabilities currently under development include the simulation of semiconductor, gas, and (as is discussed in this work) scintillator detector physics. Energy spectra and pulse shape discrimination (PSD) trends for incident photon and neutron radiation have been reproduced by DRiFT.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2012

An improved physics-based approach for unfolding megavoltage bremsstrahlung spectra using transmission analysis

Purpose: To develop a physics-based approach to improve the accuracy and robustness of the ill-conditioned problem of unfolding megavoltage bremsstrahlung spectra from transmission data. Methods: Spectra are specified using a rigorously-benchmarked functional form. Since ion chambers are the typical detector used in transmission measurements, the energy response of a Farmer chamber is calculated using the EGSnrc Monte Carlo code, and the effect of approximating the energy response on the accuracy of the unfolded spectra is studied. A proposal is introduced to enhance spectral sensitivity by combining transmission data measured with multiple detectors of different energy response and by combining data from multiple attenuating materials. Monte Carlo methods are developed to correct for nonideal exponential attenuation (e.g., scatter effects and secondary attenuation). The performance of the proposed methods is evaluated for a diverse set of validated clinical spectra (3.5-25 MV) using analytical transmission data with simulated experimental noise. Results: The approximations commonly used in previous studies for the ion-chamber energy response lead to significant errors in the unfolded spectra. Of the configurations studied, the one with best spectral sensitivity is to measure four full transmission curves using separate low-Z and high-Z attenuators in conjunction with two detectors of different energy response (the authors propose a Farmer-type ion chamber, once with a low-Z, and once with a high-Z buildup cap material), then to feed the data simultaneously to the unfolding algorithm. Deviations from ideal exponential attenuation are as much as 1.5% for the smallest transmission signals, and the proposed methods properly correct for those deviations. The transmission data with enhanced spectral sensitivity, combined with the accurate and flexible spectral functional form, lead to robust unfolding without requiring a priori knowledge of the spectrum. Compared with the commonly-used methods, the accuracy is improved for the unfolded spectra and for the unfolded mean incident electron kinetic energy by at least factors of three and four, respectively. With simulated experimental noise and a lowest transmission of 1%, the unfolded energy fluence spectra agree with the original spectra with a normalized root-mean-square deviation, %{Delta}({psi}), of 2.3%. The unfolded mean incident electron kinetic energies agree, on average, with the original values within 1.4%. A lowest transmission of only 10% still allows unfolding with %{Delta}({psi}) of 3.3%. Conclusions: In the presence of realistic experimental noise, the proposed approach significantly improves the accuracy and robustness of the spectral unfolding problem for all therapy and MV imaging beams of clinical interest.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2022

Comprehensive compilations of computation results and validations for neutronics start-up tests at China Experimental Fast Reactor

This paper compiles and analyzes refined results of the coordinated research project (CRP) on Neutronics Benchmark of China Experimental Fast Reactor (CEFR) Start-Up Tests conducted by the International Atomic Energy Agency (IAEA) since 2018. Twenty-eight research organizations participated with various code systems. The China Institute of Atomic Energy (CIAE) provided the benchmark specifications and participants conducted the benchmark through blind and refined phases. This paper presents the benchmark results on six experimental measurements, criticality, control rod worth, temperature reactivity coefficients, sodium void worth, assembly swap reactivities, and foil activations. Except for a few outlier results, the simulation results show good agreement with the measured data within 1-σ experiment uncertainties. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2007

Description of a Generalized Analytical Model for the Micro-dosimeter Response

An analytical prediction capability for space radiation in Low Earth Orbit (LEO), correlated with the Space Transportation System (STS) Shuttle Tissue Equivalent Proportional Counter (TEPC) measurements, is presented. The model takes into consideration the energy loss straggling and chord length distribution of the TEPC detector, and is capable of predicting energy deposition fluctuations in a micro-volume by incoming ions through both direct and indirect ionic events. The charged particle transport calculations correlated with STS 56, 51, 110 and 114 flights are accomplished by utilizing the most recent version (2005) of the Langley Research Center (LaRC) deterministic ionized particle transport code High charge (Z) and Energy TRaNsport WZETRN), which has been extensively validated with laboratory beam measurements and available space flight data. The agreement between the TEPC model prediction (response function) and the TEPC measured differential and integral spectra in lineal energy (y) domain is promising.

Badavi, Francis F.↗

NASA NTRS2004

Testing and Life Prediction for Composite Rotor Hub Flexbeams

A summary of several studies of delamination in tapered composite laminates with internal ply-drops is presented. Initial studies used 2D FE models to calculate interlaminar stresses at the ply-ending locations in linear tapered laminates under tension loading. Strain energy release rates for delamination in these laminates indicated that delamination would likely start at the juncture of the tapered and thin regions and grow unstably in both directions. Tests of glass/epoxy and graphite/epoxy linear tapered laminates under axial tension delaminated as predicted. Nonlinear tapered specimens were cut from a full-size helicopter rotor hub and were tested under combined constant axial tension and cyclic transverse bending loading to simulate the loading experienced by a rotorhub flexbeam in flight. For all the tested specimens, delamination began at the tip of the outermost dropped ply group and grew first toward the tapered region. A 2D FE model was created that duplicated the test flexbeam layup, geometry, and loading. Surface strains calculated by the model agreed very closely with the measured surface strains in the specimens. The delamination patterns observed in the tests were simulated in the model by releasing pairs of MPCs along those interfaces. Strain energy release rates associated with the delamination growth were calculated for several configurations and using two different FE analysis codes. Calculations from the codes agreed very closely. The strain energy release rate results were used with material characterization data to predict fatigue delamination onset lives for nonlinear tapered flexbeams with two different ply-dropping schemes. The predicted curves agreed well with the test data for each case studied.

Murri, Gretchen B.↗

DOE OSTI2022

An optimization framework for the network design of advanced district thermal energy systems

In this work, a topology optimization framework for district thermal energy systems is presented. The framework seeks to address the questions, for a given district, "What is the best subset of buildings to connect to a district thermal energy system, and by what network should they be connected, to minimize life cycle cost?" A particle swarm optimization approach is validated to address the selection of the subset of buildings, and a graph theory-based heuristic is validated for selection of the network topology for any candidate subset of buildings. The framework is applied to a prototypical urban district for illustrative purposes. Additionally, modeling of prototypical districts revealed reductions in source energy use intensity for heating and cooling of 21-25% through the use of advanced district energy systems relative to code-compliant, building level systems. The framework identifies solutions with life cycle cost values 14% to 72% lower than that of base case scenarios based on conventional design approaches, depending on the base case scenario selected. Analysis of the search space indicates that topology optimization facilitates reductions in life cycle cost, source energy use intensity, and carbon emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Validation of NEAMS Tools Using MSRE Data

This report documents the benchmarks developed and performed for the tools and codes developed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program utilizing the MSRE experiment data. There are three focus areas explored in this work: fuel evolution, CFD, and system transient analyses. Fuel depletion is important for MSR reactor physics and fuel cycle analysis. Fuel depletion capability is currently being developed in the Griffin reactor physics code. To support this, a benchmark problem is developed using the MSRE data and an existing depletion code with flowing fuel analysis functionality (ADDER) to validate this new capability in Griffin. The ADDER calculation is compared with the TRITON-MSR results as well as the MSRE experimental data. This benchmark can be directly used to verify and validate the Griffin fuel depletion capability in future years. For CFD simulation, the MSRE CAD model is obtained from the Copenhagen Atomics and a mesh is generated for the MSRE inlet plenum. The Nek5000 code will be employed to find the flow distribution in the MSRE inlet plenum based on the mesh generated. For system analysis, a simple benchmark problem for three types of MSR system transients is developed. The SAM and SPECTRA codes are used to solve the simple problem, and the results from the two codes agree well. The SAM code is also employed to obtain the frequency response of the MSRE system at the 5 and 8 MWt power levels. The results agree well with the experiment measurements. These verification and validation efforts gives SAM users more confidence in MSR system transient simulations using SAM. Lastly, the SAM-Griffin Multiphysics coupling work is initiated. A simple one-way coupling of evaluating the precursor drift effect on the MSRE k-eff is demonstrated. This preliminary coupling work serves as the basis for future more complex Multiphysics simulation and modelling.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2017

Real-Time Digital Simulation of Inertial Response with Hardware-in-the-Loop Implementation on the CART3 Wind Turbine at the National Wind Technology Center

With increasing penetrations of wind power on electric grids, the stability and reliability of interconnected power systems may be impacted. In some countries that have developed renewable energy sources and systems, grid codes have been revised to require wind power plants (WPPs) to provide ancillary services to support the power system frequency in case of severe grid events. To do this, wind turbine generators (WTGs) should be deloaded to reserve a certain amount of active power for primary frequency response; however, deloading curtails annual energy production, and the market for this type of service needs to be further developed. In this report, we focus on the temporary frequency support provided by WTGs through inertial response. WTGs have potential to provide inertial response, but appropriate control methods should be implemented. With the implemented inertial control methods, wind turbines are capable of increasing their active power output by releasing some of their stored kinetic energy when a frequency excursion occurs. Active power can be temporarily boosted above the maximum power points, after which the rotor speed decelerates, and subsequently an active power output reduction restores the kinetic energy. In this report, we develop two types of models for wind power systems: the first is common, based on the wind power aerodynamic equation, and the power coefficient can be regressed using nonlinear functions; the second is much more complicated, wherein the wind turbine system is modeled using the Fatigue, Aerodynamics, Structures, and Turbulence Modeling (FAST) tool with several degrees of freedoms. A nine-bus test power system is built in Simulink and the Real-Time Digital Simulator, respectively, which are used to evaluate the frequency support performance of the WPPs. We implement two distinct types of inertial control methods in the modeled wind turbines: frequency-based inertial control (FBIC) and stepwise inertial control (SIC). We compare the performances of the two methods in terms of their frequency nadirs, rates of change of frequency, and recovery times. We conclude the results under various wind speeds and penetration cases, which provide insight into designing the inertial response of WTGs. Further, we discuss the impact of the parameters on the performance of the inertial control methods. We evaluate both the scaling factors for the FBIC method and the slope values for the TLIC methods. The simulation work shows the characteristics of different inertial responses compared to conventional synchronous generators. Based on the simulation results, we modify, improve, and test the inertial control methods under a more realistic wind turbine model based on FAST. We then validate the inertial responses under highly turbulent wind conditions generated by TurbSim, and we examine their influences on the turbine mechanical components. The extensive simulation proves the effectiveness of the proposed inertial control methods as well as the nine-bus test power system. We then reconsider the parameters. We rebuild the same test power system using Real time Simulator Computer Aided Design (RSCAD), and we implement the inertial control methods in the real Controls Advanced Research Turbine (CART3), which is prepared for the hardware-in-the-loop field-test simulation. After the setups for the hardware and software hybrid simulation platform are complete, the inertial response is further tested on a real wind turbine for the first time, in which CART3 release the controlled inertial response against the emulated frequency excursion, provided by the real-time simulated power system test bed in RTDS.

17 WIND ENERGY↗

DOE OSTI2016

MCNP6 simulation of light and medium nuclei fragmentation at intermediate energies

Fragmentation reactions induced on light and medium nuclei by protons and light nuclei of energies around 1 GeV/nucleon and below are studied with the Los Alamos transport code MCNP6 and with its CEM03.03 and LAQGSM03.03 event generators. CEM and LAQGSM assume that intermediate-energy fragmentation reactions on light nuclei occur generally in two stages. The first stage is the intranuclear cascade (INC), followed by the second, Fermi breakup disintegration of light excited residual nuclei produced after the INC. CEM and LAQGSM account also for coalescence of light fragments (complex particles) up to sup>4 He from energetic nucleons emitted during INC. We investigate the validity and performance of MCNP6, CEM, and LAQGSM in simulating fragmentation reactions at intermediate energies and discuss possible ways of further improving these codes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2012

THE PRODUCTION OF LOW-ENERGY NEUTRONS IN SOLAR FLARES AND THE IMPORTANCE OF THEIR DETECTION IN THE INNER HELIOSPHERE

Neutron detectors on spacecraft in the inner heliosphere can observe the low-energy (<30 MeV) solar-flare neutrons that are not easily observable at Earth because they are lost to decay during transit. We present calculations of low-energy neutron production using a computer code incorporating updated neutron-production cross sections for the proton and {alpha}-particle reactions with heavier elements at all ion energies, especially at low energies (E{sub ion} < 10 MeV nucleon{sup -1}) most important for producing low-energy neutrons from these reactions. We calculate escaping-neutron spectra and neutron-capture line yields from ions propagating in a magnetic loop with various kinetic-energy spectra. This study provides the basis for planning inner-heliospheric missions having a low-energy neutron detector. The MESSENGER spacecraft orbiting Mercury has such a detector. We conclude that a full understanding of ion acceleration, transport, and interaction at the Sun requires observation of both neutrons and gamma rays with detectors of comparable sensitivity. We find that the neutron-capture line fluence at 1 AU is comparable to the 1-10 MeV neutron fluence at 0.5 AU, and therefore as effective for revealing low-energy ion acceleration. However, as the distance from the Sun to the neutron detector decreases, the tremendous increase of the low-energy neutron flux allows exploration of ion acceleration in weak flares not previously observable and may reveal acceleration at other sites not previously detected where low-energy neutrons could be the only high-energy signature of ion acceleration. Also, a measurement of the low-energy neutron spectrum will provide important information about the accelerated-ion spectrum that is not available from the capture line fluence measurement alone.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2018

Recent Developments in the Code RITRACKS (Relativistic Ion Tracks)

The code RITRACKS (Relativistic Ion Tracks) was developed to simulate detailed stochastic radiation track structures of ions of different types and energies. Many new capabilities were added to the code during the recent years. Several options were added to specify the times at which the tracks appear in the irradiated volume, allowing the simulation of dose-rate effects. The code has been used to simulate energy deposition in several targets: spherical, ellipsoidal and cylindrical. More recently, density changes as well as a spherical shell were implemented for spherical targets, in order to simulate energy deposition in walled tissue equivalent proportional counters. RITRACKS is used as a part of the new program BDSTracks (Biological Damage by Stochastic Tracks) to simulate several types of chromosome aberrations in various irradiation conditions. The simulation of damage to various DNA structures (linear and chromatin fiber) by direct and indirect effects has been improved and is ongoing. Many improvements were also made to the graphic user interface (GUI), including the addition of several labels allowing changes of units. A new GUI has been added to display the electron ejection vectors. The parallel calculation capabilities, notably the pre- and post-simulation processing on Windows and Linux machines have been reviewed to make them more portable between different systems. The calculation part is currently maintained in an Atlassian Stash® repository for code tracking and possibly future collaboration.

Plante, Ianik↗

DOE OSTI2025

Summary of Analytical Services for the Hanford Site Radionuclide NESHAP Program

This document is a summary of the point source analytical requirements used to demonstrate compliance for the Department of Energy (DOE) Hanford Site operations with 40 Code of Federal Regulations (CFR) Part 61, “National Emission Standards for Hazardous Air Pollutants,” (NESHAP) Subpart H, “National Emission Standards for Emissions of Radionuclides Other Than Radon From Department of Energy Facilities,” and the Washington Administrative Code (WAC) 246-247, “Radiation Protection – Air Emissions.” This reference collects information from multiple source documents and is not intended to create, supersede, replace or over-ride any existing contractual, DOE, federal or state statutes, regulations, compliance agreements, orders, permits, licenses or other requirements. The requirement source document governs where any difference may exist. The Hanford Mission Integration Solutions (HMIS) Environmental organization has been contracted by DOE to manage and report data collected from the sampling and monitoring of radioactive air emissions point sources, colloquially called stacks. The Environmental organization coordinates the analyses and reporting of samples collected at various facilities across the Hanford Site. These facilities operate approximately 52 stacks that require sampling, monitoring or estimating radioactive air emissions. The stacks are operated by Bechtel National, Inc. (BNI), Central Plateau Cleanup Company (CPCCo), Hanford Tank Waste Operations & Closure (H2C), Hanford Laboratory Management and Integration (HLMI), and Pacific Northwest National Laboratory (PNNL). Stack samples from CPCCo, HLMI and H2C facilities are collected by the operating contractor staff, delivered to HMIS, and then shipped to an offsite contracted laboratory for analyses. The field and laboratory sample data uploaded into the Sample Management and Analytical Results Tracking (SMART) database are used to calculate sample volumes and concentrations. Sample concentrations are evaluated for compliance with federal and state regulations, permits, and license requirements. The SMART database also calculates total curies released for sampled point sources and stacks. Point source effluent concentrations and releases are published annually in publicly available reports. The BNI and PNNL operate several DOE-Hanford Field Office (HFO) stacks subject to the requirements of 40 CFR 61, Subpart H and WAC 246-247. The concentrations, curies released and dose modeling evaluation for these stacks are included in the DOE-HFO annual radionuclide NESHAP report. The sample collection, analyses and emissions estimates for these stacks are outside the scope of HMIS contracted responsibilities and not addressed further in this document.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Overview of the DOE hydrogen safety, codes and standards program, part 3: Advances in research and development to enhance the scientific basis for hydrogen regulations, codes and standards

Hydrogen fuels are being deployed around the world as an alternative to traditional petrol and battery technologies. As with all fuels, regulations, codes and standards are a necessary component of the safe deployment of hydrogen technologies. There has been a focused effort in the international hydrogen community to develop codes and standards based on strong scientific principles to accommodate the relatively rapid deployment of hydrogen-energy systems. The need for science-based codes and standards has revealed the need to advance our scientific understanding of hydrogen in engineering environments. Here, this brief review describes research and development activities with emphasis on scientific advances that have aided the advancement of hydrogen regulations, codes and standards for hydrogen technologies in four key areas: (1) the physics of high-pressure hydrogen releases (called hydrogen behavior); (2) quantitative risk assessment; (3) hydrogen compatibility of materials; and (4) hydrogen fuel quality.

08 HYDROGEN↗