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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

MCNP6.3 Code and Nuclear Data Installation Guide [Slides]

This presentation discusses the MCNP6.3 release package and examines how it offers more MCNP6-specific executables and options available than ever before. It also discusses the installer and that it streamlines the MCNP6.3 installation and automatically downloads all production nuclear data and generates xsdir files for the user. Additionally, the nd_manager is also discussed regarding how it allows the LANL Nuclear Data and Monte Carlo teams to work and distribute their products independently. It also allows updates, fixes (errata), and newly released data to be made available in a much faster timescale than ever before.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2018

Autotuning in High-Performance Computing Applications

Autotuning refers to the automatic generation of a search space of possible implementations of a computation that are evaluated through models and/or empirical measurement to identify the most desirable implementation. Autotuning has the potential to dramatically improve the performance portability of petascale and exascale applications. To date, autotuning has been used primarily in high-performance applications through tunable libraries or previously tuned application code that is integrated directly into the application. This paper draws on the authors' extensive experience applying autotuning to high-performance applications, describing both successes and future challenges. If autotuning is to be widely used in the HPC community, researchers must address the software engineering challenges, manage configuration overheads, and continue to demonstrate significant performance gains and portability across architectures. In particular, tools that configure the application must be integrated into the application build process so that tuning can be reapplied as the application and target architectures evolve.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Diazotroph Community Characterization via a High-Throughput nifH Amplicon Sequencing and Analysis Pipeline

The dinitrogenase reductase gene ( nifH ) is the most widely established molecular marker for the study of nitrogen-fixing prokaryotes in nature. A large number of PCR primer sets have been developed for nifH amplification, and the effective deployment of these approaches should be guided by a rapid, easy-to-use analysis protocol. Bioinformatic analysis of marker gene sequences also requires considerable expertise. In this study, we advance the state of the art for nifH analysis by evaluating nifH primer set performance, developing an improved amplicon sequencing workflow, and implementing a user-friendly bioinformatics pipeline. Furthermore, the developed amplicon sequencing workflow is a three-stage PCR-based approach that uses established technologies for incorporating sample-specific barcode sequences and sequencing adapters. Based on our primer evaluation, we recommend the Ando primer set be used with a modified annealing temperature of 58°C, as this approach captured the largest diversity of nifH templates, including paralog cluster IV/V sequences. To improve nifH sequence analysis, we developed a computational pipeline which infers taxonomy and optionally filters out paralog sequences. In addition, we employed an empirical model to derive optimal operational taxonomic unit (OTU) cutoffs for the nifH gene at the species, genus, and family levels. A comprehensive workflow script named TaxADivA (TAXonomy Assignment and DIVersity Assessment) is provided to ease processing and analysis of nifH amplicons. Our approach is then validated through characterization of diazotroph communities across environmental gradients in beach sands impacted by the Deepwater Horizon oil spill in the Gulf of Mexico, in a peat moss-dominated wetland, and in various plant compartments of a sugarcane field. IMPORTANCE: Nitrogen availability often limits ecosystem productivity, and nitrogen fixation, exclusive to prokaryotes, comprises a major source of nitrogen input that sustains food webs. The nifH gene, which codes for the iron protein of the nitrogenase enzyme, is the most widely established molecular marker for the study of nitrogen-fixing microorganisms (diazotrophs) in nature. In this study, a flexible sequencing/analysis pipeline, named TaxADivA, was developed for nifH amplicons produced by Illumina paired-end sequencing, and it enables an inference of taxonomy, performs clustering, and produces output in formats that may be used by programs that facilitate data exploration and analysis. Diazotroph diversity and community composition are linked to ecosystem functioning, and our results advance the phylogenetic characterization of diazotroph communities by providing empirically derived nifH similarity cutoffs for species, genus, and family levels. Thus, the utility of our pipeline is validated for diazotroph communities in a variety of ecosystems, including contaminated beach sands, peatland ecosystems, living plant tissues, and rhizosphere soil.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Release 1.0 of MARMOT: A Mesoscale Fuel Performance Code

MARMOT is the mesoscale fuel performance code under development as part of the US DOE Nuclear Energy Advanced Modeling and Simulation Program. With this report, we release a new version of MARMOT, summarize its implemented capabilities, and document the ongoing development of new capabilities planned for the next release. The purpose of MARMOT is to predict the coevolution of microstructure and material properties of nuclear fuel and cladding due to stress, temperature, and irradiation damage. It accomplishes this using the phase field method coupled to solid mechanics and heat conduction. MARMOT is based on the Multiphysics Object-Oriented Simulation Environment (MOOSE), and much of its basic capability in the areas of the phase field method, mechanics, and heat conduction come directly from MOOSE modules.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

SAM Code Validation using the Compact Integral Effects Test (CIET) Experimental Data

The primary objective of this study is to validate the system analysis code, SAM, using experimental data from the Compact Integral Effects Test (CIET) facility. The System Analysis Module (SAM) is an advanced and modern system analysis tool being developed at Argonne National Laboratory under the U.S. DOE Office of Nuclear Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. Originally aiming at supporting sodium fast reactor (SFR) design, it is now extended to cover other non-light water reactor (non-LWR) concepts, such as high-temperature gas-cooled reactor (HTGR) designs, molten salt-fueled, and molten salt-cooled reactor designs. To support SAM code development for the wide range of non-LWR applications, it is of paramount importance to validate the code against experiments relevant to these reactor concepts. The Compact Integral Effects Test (CIET) facility, which was designed to reproduce the thermal-hydraulics response of fluoride salt-cooled high-temperature reactors (FHR) under both forced- and natural-circulation conditions, has been identified and selected as one of benchmark test facilities for SAM code validation. Among available CIET experiments, three sets of them with distinctive characteristics were selected for SAM code validation purpose. The three sets experiments are: 1) Power step change transient tests; 2) DHX-DRACS natural circulation tests; and 3) heater frequency response tests. For all tests, steady-state or transient, SAM-predicted results show very good agreement with experimental data. The successful validation of SAM against these selected CIET experiments demonstrates that the computer code is well suited for thermal-hydraulics analysis of FHR designs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

FY26 Progress on Demonstration of a Multiphysics Steady State Capability for Modeling Core Radial Expansion in SFRs

Under the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism in liquid metal-cooled fast reactors and involves multiphysics effects including radiation transport, fluid flow, heat transfer, and mechanical response to temperature and flux gradients. This report summarizes recent progress on developing a multiphysics, MOOSE-based workflow to predict core bowing and associated reactivity feedback. Significant new capabilities in the reactor physics code Griffin - sodium backfill and pin power reconstruction for deformed geometries - were applied in this effort. This year’s work included verification, code comparisons, sensitivity studies, and coupled demonstrations that advance the state of MOOSE-based core bowing workflow. Griffin’s sodium backfill capability was verified by demonstrating that its automated treatment of geometry expansion and material-density updates reproduces manual calculations exactly, confirming solid mass conservation and proper coolant backfilling in expanded geometries. Reconstructed pin powers were compared for Griffin’s ductheterogeneous and ring-heterogeneous treatments in single-, seven-, and nineteen-assembly cases, with best agreement observed in lower-leakage configurations and the duct-heterogeneous approach offering substantially lower computational cost. Thermal-hydraulic sensitivity sensitivities showed that MOOSE SCM, SAM, and CFD are expected to produce similar deformation predictions despite variances in their temperature predictions, and that explicit treatment of inter-assembly flow becomes increasingly important as gap flow rate increases. Finally, coupled demonstrations on small multi-assembly configurations using Griffin, MOOSE Solid Mechanics, MOOSE SCM, and Heat Conduction produced physically consistent reactivity feedback from thermal expansion and bowing. The coupled demonstrations simulated grid plate expansion as well as resultant core bowing at full power conditions. Simplifications were made in current workflow, namely the assumption of instantaneous full power conditions following hot zero power, and pre-expanding the Griffin geometry axially due to lack of an axial fuel pin expansion model and temperature feedback to Griffin.

Wozniak, Nicholas↗
DOE OSTI2014

Scaling of volume to surface ratio and doubling time in growing unicellular organisms: Do cells appear quantum-mechanical systems?

The scaling of physical and biological characteristics of the living organisms is a basic method for searching of new biophysical laws. In series of previous studies the author showed that in Poikilotherms, Mammals and Aves, the volume to surface ratio V×S{sup −1} (m) of organisms is proportional to their generation time T{sub gt}(s) via growth rate v (m s{sup −1}): V×S{sup −1} = v{sub gr}×T{sup r}. The power and the correlation coefficients are near to 1.0. Aim of this study is: i) to prove with experimental data the validity of the above equation for Unicellular organisms and ii) to show that perhaps, the cells are quantum-mechanical systems. The data for body mass M (kg), density ρ (kg/m{sup 3}), minimum and maximum doubling time T{sub dt} (s) for 50 unicellular organisms are assembled from scientific sources, and the computer program ‘Statistics’ is used for calculations. In result i) the analytical relationship from type: V×S{sup −1} = 4.46⋅10{sup −11}×T{sub dt} was found, where v{sub gr} = 4.46×10{sup −11} m/s and ii) it is shown that the products between cell mass M, cell length expressed by V/S ratio and growth rate v{sub gr} satisfied the Heisenberg uncertainty principle i.e. the inequalities V/S×M×v{sub gr}>h/2π and T{sub dt}×M×v{sub gr}{sup 2}>h/2π are valid, where h= 6.626×10{sup −34} J⋅s is the Planck constant. This rise the question: do cells appear quantum-mechanical systems?.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

L-SCIE and SUPCRTNE model and database development

This progress report (Level 3 Milestone Number M3SF-25LL010301052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Host Rock Properties & Processes Work Package SF-25LL01030105. The focus of this milestone is to create an initial SUPCRTNE database and extensively test the SUPCRTNE code. We prepared a draft manuscript describing our workflow and approach for developing a next-generation thermodynamic database for the Spent Fuel and High Level Waste Disposition campaign. The goal is to ease any future formal software qualification effort as was done on the Yucca Mountain Project for codes including SUPCRT92 and EQ3/6. We are attempting to extend the SUPCRTNE database to include more species, mainly from the NEA volumes. We can also take advantage of thermodynamic database activities that are ongoing at Thermochimie and as part of the EURADII program. However, our effort is limited by the funds available and the changes to program scope that was initiated in mid-FY25.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Application of Plasma Waveguides to High Energy Accelerators

The eventual success of laser-plasma based acceleration schemes for high-energy particle physics will require the focusing and stable guiding of short intense laser pulses in reproducible plasma channels. For this goal to be realized, many scientific issues need to be addressed. These issues include an understanding of the basic physics of, and an exploration of various schemes for, plasma channel formation. In addition, the coupling of intense laser pulses to these channels and the stable propagation of pulses in the channels require study. Finally, new theoretical and computational tools need to be developed to aid in the design and analysis of experiments and future accelerators. Here we propose a 3-year renewal of our combined theoretical and experimental program on the applications of plasma waveguides to high-energy accelerators. During the past grant period we have made a number of significant advances in the science of laser-plasma based acceleration. We pioneered the development of clustered gases as a new highly efficient medium for plasma channel formation. Our contributions here include theoretical and experimental studies of the physics of cluster ionization, heating, explosion, and channel formation. We have demonstrated for the first time the generation of and guiding in a corrugated plasma waveguide. The fine structure demonstrated in these guides is only possible with cluster jet heating by lasers. The corrugated guide is a slow wave structure operable at arbitrarily high laser intensities, allowing direct laser acceleration, a process we have explored in detail with simulations. The development of these guides opens the possibility of direct laser acceleration, a true miniature analogue of the SLAC RF-based accelerator. Our theoretical studies during this period have also contributed to the further development of the simulation codes, Wake and QuickPIC, which can be used for both laser driven and beam driven plasma based acceleration schemes. We will continue our development of advanced simulation tools by modifying the QuickPIC algorithm to allow for the simulation of plasma particle pick-up by the wake fields. We have also performed extensive simulations of plasma slow wave structures for efficient THz generation by guided laser beams or accelerated electron beams. We will pursue experimental studies of direct laser acceleration, and THz generation by two methods, ponderomotive-induced THz polarization, and THz radiation by laser accelerated electron beams. We also plan to study both conventional and corrugated plasma channels using our new 30 TW in our new lab facilities. We will investigate production of very long hydrogen plasma waveguides (5 cm). We will study guiding at increasing power levels through the onset of laser-induced cavitation (bubble regime) to assess the role played by the preformed channel. Experiments in direct acceleration will be performed, using laser plasma wakefields as the electron injector. Finally, we will use 2-colour ionization of gases as a high frequency THz source (<60 THz) in order for femtosecond measurements of low plasma densities in waveguides and beams.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

3D CFD Model Validation Using Benchmark Data of 1/16th Scaled VHTR Upper Plenum and Development of Wall Heat-Transfer Correlation For Laminar Flow

With support from the U.S. Department of Energy-Office of Nuclear Energy’s (DOE-NE’s) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, an effort has been pursued to support high-temperature gas-cooled reactor (HTGR) technology development and its modeling and simulation needs. There is a particular need for advanced modeling and simulation tools to predict thermal-fluid behavior in the nuclear reactor primary system, especially in the core and the lower and upper plena, during safety-related transients. In this report, two main such activities are presented relevant to the HTGRs: (1) three-dimensional (3D) computational fluid dynamics (CFD) validation using benchmark data from the upper plenum of Texas A&M University’s 1/16th scaled very-high-temperature gas-cooled reactor (VHTR), and (2) development of wall heat-transfer correlation for laminar flow in a wall-heated pipe. The CFD tool validation exercises can be helpful to choose the models and CFD tools to simulate and design specific components of the HTRGs such as upper plenum where jet mixing is a complex phenomenon. In a loss of forced circulation event, the laminar flow can be observed during the development of natural circulation flow. This work includes the development and validation of heat transfer correlations for laminar flow using the Nek5000 CFD code due to limited available experimental data for laminar flow conditions to guide low-order models (1D). In this report, the flow characteristics of a single isothermal jet discharging into the upper plenum was investigated using the Nek5000 Large-Eddy Simulation (LES) CFD tool. Several numerical simulations were performed for various jet-discharged Reynolds numbers ranging from 3,413 to 12,819. A grid-independent study was performed. The numerical results of mean velocity, root-mean-square fluctuating velocity, and Reynolds stress were compared against the benchmark data. Good agreement was obtained between simulated and measured data for axial mean velocities, except near the upper plenum hemisphere. The maximum predicted errors for axial mean velocities at various normalized coolant channel diameter heights of 1, 5, and 10 are 1.56%, 1.88%, and 3.82%, respectively. In addition, the predicted root-mean-square fluctuating velocity and Reynolds stress are qualitatively in agreement with the experimental data. The Nek5000 code was used to develop wall-heat transfer correlation for laminar flow in a cylindrical tube. Several simulations were performed for various Reynolds flow and wall-heat fluxes. A new heat transfer correlation was developed using data from Nek5000 simulation results and regression functions in Matlab. The developed heat transfer correlation is valid for various Reynolds flows from 200 to 2000. The predicted R² value for model fit was 0.875, which ensures that 87.5% of the model data lies on the Nek5000 data. Moreover, a machine learning (ML) tool was used to train and test the Nek5000 data. A good fit of the ML-based model was observed with the test data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

CMM Sequential Analysis Program

This report documents a design agency (DA) method to evaluate coordinate measuring machine (CMM) data by constructing an algorithm that is equivalent to the production agency (PA) algorithm for processing the raw CMM data. Several refinements of the CMM analyses were implemented at both the PA and the DA to process inherent limitations of the raw data, such as the absence of measurements at the exact ends of the connector-adapter assembly (CAA) and the recovery from these limitations through (worst-case) adjustments to the the positional errors. Also, inherent errors of the CMM measurements were accommodated by introducing a guard band, which effectively lowered the tolerance so that the CMM code could not pass bad parts. The DA and the PA showed remarkable agreement in all areas of analysis. The ultimate comparison is shown in Figures 13a and 13b, where the effect of using a guard band and end adjustments to the CMM measurements were clearly shown.

42 ENGINEERING↗
DOE OSTI2013

CPsuperH2.3: an Updated Tool for Phenomenology in the MSSM with Explicit CP Violation

We describe the Fortran code CPsuperH2.3, which incorporates the following updates compared with its predecessor CPsuperH2.0. It implements improved calculations of the Higgs-boson masses and mixing including stau contributions and finite threshold effects on the tau-lepton Yukawa coupling. It incorporates the LEP limits on the processes e^+e^-->H_iZ,H_iH_j and the CMS limits on H_i->@t@?@t obtained from 4.6 fb^-^1 of data at a center-of-mass energy of 7 TeV. It also includes the decay mode H_i->Z@c and the Schiff-moment contributions to the electric dipole moments of Mercury and Radium 225, with several calculational options for the case of Mercury. These additions make CPsuperH2.3 a suitable tool for analyzing possible CP-violating effects in the MSSM in the era of the LHC and a new generation of EDM experiments. Program summary: Program title: CPsuperH2.3 Catalogue identifier: ADSR_v3_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADSR_v3_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 24058 No. of bytes in distributed program, including test data, etc.: 158721 Distribution format: tar.gz Programming language: Fortran77. Computer: PC running under Linux and computers in Unix environment. Operating system: Linux. RAM: 32 MB Classification: 11.1. Does the new version supersede the previous version?: Yes Catalogue identifier of previous version: ADSR_v2_0 Journal reference of previous version: Comput. Phys. Comm. 180(2009)312 Nature of problem: The calculations of mass spectrum, decay widths and branching ratios of the neutral and charged Higgs bosons in the Minimal Supersymmetric Standard Model with explicit CP violation have been improved. The program is based on renormalization-group-improved diagrammatic calculations that include dominant higher-order logarithmic and threshold corrections, b-quark and @t-lepton Yukawa-coupling resummation effects and improved treatment of Higgs-boson pole-mass shifts. The couplings of the Higgs bosons to the Standard Model gauge bosons and fermions, to their supersymmetric partners and all the trilinear and quartic Higgs-boson self-couplings are also calculated. Also included are a full treatment of the 4x4 (2x2) neutral (charged) Higgs propagator matrix together with the center-of-mass dependent Higgs-boson couplings to gluons and photons, and an integrated treatment of several B-meson observables. The new implementations include the EDMs of Thallium, neutron, Mercury, Deuteron, Radium, and muon, as well as the anomalous magnetic moment of muon, (g_@m-2), the top-quark decays, improved calculations of the Higgs-boson masses and mixing including stau contributions, the LEP limits, and the CMS limits on H_i->@t@t@?. It also implements the decay mode H_i->Z@c and includes the corresponding Standard Model branching ratios of the three neutral Higgs bosons in the array GAMBRN(IM,IWB = 2,IH). Solution method: One-dimensional numerical integration for several Higgs-decay modes and EDMs, iterative treatment of the threshold corrections and Higgs-boson pole masses, and the numerical diagonalization of the neutralino mass matrix. Reasons for new version: Mainly to provide the full calculations of the EDMs of Thallium, neutron, Mercury, Deuteron, Radium, and muon as well as (g_@m-2), improved calculations of the Higgs-boson masses and mixing including stau contributions, the LEP limits, the CMS limits on H_i->@t@t@?, the top-quark decays, H_i->Z@c decay, and the corresponding Standard Model branching ratios of the three neutral Higgs bosons. Summary of revisions: Full calculations of the EDMs of Thallium, neutron, Mercury, Deuteron, Radium, and muon as well as (g_@m-2). Improved treatment of Higgs-boson masses and mixing including stau contributions. The LEP limits. The CMS limits on H_i->@t@t@?. The top-quark decays. The H_i->Z@c decay. The corresponding Standard Model branching ratios of the three neutral Higgs bosons. Running time: Less than 1.0 s.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Ordering Traces Logically to Identify Lateness in Parallel Programs

Event traces are a valuable tool for understanding the behavior of parallel programs. Automatically analyzing a large trace, however, especially without a specific objective, is difficult. We aid this process by extracting a trace’s logical structure, an ordering of events derived from their happened before relationships. From this perspective, we can calculate delays relative to peers rather than duration and determine where they begin and how they propagate. The logical structure also acts as a platform for comparing and clustering processes as well as showing communication patterns in a trace visualization. We present an algorithm for determining this idealized logical structure from a trace and develop metrics to quantify delays and differences among processes. We implement this in our novel trace visualizer, Ravel, and apply our approach to several applications, demonstrating the accuracy of our extracted structure and its utility in analyzing these codes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Validation of Criticality Safety Calculations with SCALE 6.2

SCALE 6.2 provides numerous updates in nuclear data, nuclear data processing, and computational tools utilized in the criticality safety calculational sequences relative to SCALE 6.1. A new 252-group ENDF/B-VII.0 multigroup neutron library, improved ENDF/B-VII.0 continuous energy data, as well as the previously deployed 238-group ENDF/B-VII.0 neutron library are included in SCALE 6.2 for criticality safety analysis. The performance of all three libraries for keff calculations is examined with a broad sampling of critical experiment models covering a range of fuels and moderators. Critical experiments from the International Handbook of Evaluated Criticality Safety Benchmark Experiments (IHECSBE) that are available in the SCALE Verified, Archived Library of Inputs and Data (VALID) are used in this validation effort. Over 300 cases are used in the validation of KENO V.a, and a more limited set of approximately 50 configurations are used for KENO-VI validation. Additionally, some KENO V.a cases are converted to KENO-VI models so that an equivalent set of experiments can be used to validate both codes. For continuous-energy calculations, SCALE 6.2 provides improved performance relative to SCALE 6.1 in most areas with notable improvements in fuel pin lattice cases, particularly those with mixed oxide fuel. Multigroup calculations with the 252-group library also demonstrate improved performance for fuel lattices, uranium (high and intermediate enrichment) and plutonium metal experiments, and plutonium solution systems. Overall, SCALE 6.2 provides equivalent or smaller biases than SCALE 6.1, and the two versions of KENO provide similar results on the same suite of problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

COMPOFF: A Compiler Cost model using Machine Learning to predict the Cost of OpenMP Offloading

The HPC industry is inexorably moving towards an era of extremely heterogeneous architectures, with more devices configured on any given HPC platform and potentially more kinds of devices, some of them highly specialized. Writing a separate code suitable for each target system for a given HPC application is not practical. The better solution is to use directive-based parallel programming models such as OpenMP. OpenMP provides a number of options for offloading a piece of code to devices like GPUs. To select the best option from such options during compilation, most modern compilers use analytical models to estimate the cost of executing the original code and the different offloading code variants. Building such an analytical model for compilers is a difficult task that necessitates a lot of effort on the part of a compiler engineer. Recently, machine learning techniques have been successfully applied to build cost models for a variety of compiler optimization problems. In this paper, we present COMPOFF, a cost model which uses the multi-layer perceptrons to statically estimates the Cost of OpenMP OFFloading. We used six different transformations on a parallel code of Wilson Dslash Operator to support GPU offloading, and we predicted their cost of execution on different GPUs using COMPOFF during compile time. Our results show that this model can predict offloading costs with a root mean squared error in prediction of less than 0.5 seconds. Our preliminary findings indicate that this work will make it much easier and faster for scientists and compiler developers to port legacy HPC applications that use OpenMP to new heterogeneous computing environment.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Analysis of hafnium configuration of FLUOLE-2 program - 25409

The purpose of this paper is to present an analysis of the hafnium configuration of FLUOLE-2 program. FLUOLE-2 is a set of benchmark-type experiments dedicated to neutron attenuation analysis with the aim of improving the TRIPOLI-4{sup R} Monte Carlo code validation and industrial neutron physics scheme. The CEA developed this program, with the support of EDF, in order to be representative of 900 and 1450 MWe Pressurized Water Reactors operated in France. For that purpose, different stainless steel structures have been designed and appropriately positioned inside the EOLE facility located at Cadarache CEA center. EOLE is a pool type zero power reactor, composed of a cylindrical aluminum vessel with an over-structure of stainless steel, that is able to contain various types of core and related structures. The FLUOLE-2 core has been designed as a 29 x 29 pins square lattice of fuel rods. Different kind of dosimeters (cobalt, gold, tin, rhodium, indium, iron, nickel, titanium, aluminum, and vanadium) were irradiated inside and outside the core. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

ExactPack Documentation

For code verification, one compares the code output against known exact solutions. There are many standard test problems used in this capacity, such as the Noh and Sedov problems. ExactPack is a utility that integrates many of these exact solution codes into a common API (application program interface), and can be used as a stand-alone code or as a python package. ExactPack consists of python driver scripts that access a library of exact solutions written in Fortran or Python. The spatial profiles of the relevant physical quantities, such as the density, fluid velocity, sound speed, or internal energy, are returned at a time specified by the user. The solution profiles can be viewed and examined by a command line interface or a graphical user interface, and a number of analysis tools and unit tests are also provided. We have documented the physics of each problem in the solution library, and provided complete documentation on how to extend the library to include additional exact solutions. ExactPack’s code architecture makes it easy to extend the solution-code library to include additional exact solutions in a robust, reliable, and maintainable manner.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Criticality Accident Alarm System Shielding Benchmark: Integral Experiment Request 498, Critical Engineering Decision 1 Report

This report supports Critical/Subcritical Experiment Decision 1 (CED-1) for Integral Experiment Request (IER) 498, a shielding benchmark produced using the Godiva IV critical assembly at the National Critical Experiments Research Center (NCERC). Shielding benchmarks are datasets collected to provide a comparison for computer models that simulate the effect of shielding on radiation transmission from a source to a detector. The purpose of a CED-1 report is to produce a conceptual design for an integral experiment and to identify the long lead-time items. The design presented in this report favors certain detailed design options such as material selections. However, alternative options can be selected as the project evolves. Dimensions are specified only as needed to evaluate feasibility and performance. Development of Criticality Accident Alarm System (CAAS) shielding benchmarks supports two main programmatic needs. The first need is to improve confidence in models of facilities that house nuclear material handling operations. Better models can support effective CAAS detector placement when criticality may result in dose, and it enables more accurate analysis of criticality accident impacts at various locations in a facility. A key quantity that can be verified is the secondary gamma production caused by neutron interactions with various materials. The second programmatic need supported by shielding benchmarks is the ongoing development of methods being integrated into nuclear simulation codes such as the Monte Carlo N-Particle (MCNP) transport code and the SCALE code system used in efforts funded by the Nuclear Criticality Safety Program (NCSP). Previous work performed under the International Criticality Safety Benchmark Experimental Program (ICSBEP) to produce shielding benchmark data is primarily limited to a set of measurements at the SILENE critical assembly at the Valduc facility in France. The experiment used an open configuration and a burst mode operation, which limited detector options to thermoluminescent dosimeters (TLDs) and activation foils. Because TLDs do not record gamma spectra, it was difficult to verify the gamma energy spectrum from the experiment. In this work, the Godiva IV assembly will be used because it is a fast system capable of producing a wide range of source strengths, including super-prompt critical bursts. The room return for the facility is expected to be substantial and challenging to characterize, so a more closed, shielded experimental configuration is considered. Furthermore, because the physics of radiation transport outside the assembly does not change between the burst mode and the delayed critical mode, it is anticipated that most measurements will be made with the Godiva IV assembly in delayed critical mode, operating within a range that will allow electronic counters to collect accurate data. Scoping calculations concluded that a workable room return shield is comprised of 40 cm of 5% borated polyethylene backed by 7 cm of lead. This configuration was shown to produce a ratio of signal–to–room return of over 100 for up to 2 mean free paths of shield sample material, and over 10 for up to 4 mean free paths of shield sample material, ensuring that useful results can be obtained. With no shielding sample in the room return shield, it was shown that the neutron and gamma spectra do not appreciably change with a change in room size. This scoping calculation does not preclude the use of tungsten powder in a binder, some other effective gamma shielding material, or a hybrid design. Dose rates for various source intensities at an unshielded detector are listed herein to inform detector selection during CED-2, and calibration chains are identified. Preliminary estimates of costs and schedules are outlined but remain to be verified. Values could double or triple as estimates become more accurate and are principally included here to demonstrate feasibility. Preliminary estimates indicate that the apparatus can be installed within a feasible schedule and budget. Two measurements per day are assumed. Producing a shielding benchmark at NCERC using the Godiva IV assembly has been shown to be feasible, with manageable uncertainties and risks. A clear, continuing need for shielding benchmark data remains present, and this report identifies and evaluates a method for creating integrated shielding benchmark datasets.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗