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At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Programs and Code for Geothermal Exploration Artificial Intelligence

The scripts below are used to run the Geothermal Exploration Artificial Intelligence developed within the "Detection of Potential Geothermal Exploration Sites from Hyperspectral Images via Deep Learning" project. It includes all scripts for pre-processing and processing, including: - Land Surface Temperature K-Means classifier - Labeling AI using Self Organizing Maps (SOM) - Post-processing for Permanent Scatterer InSAR (PSInSAR) analysis with SOM - Mineral marker summarizing - Artificial Intelligence (AI) Data splitting: creates data set from a single raster file - Artificial Intelligence Model: creates AI from a single data set, after splitting in Train, Validation and Test subsets - AI Mapper: creates a classification map based on a raster file

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

DECOVALEX-2023: Task D Final Report

Task D of DECOVALEX-2023 is focused on the simulation of the coupled thermal hydraulic-mechanical (THM) behaviour in the full-scale engineered barrier system (EBS). The Horonobe EBS experiment is the demonstration of the full-scale EBS in the underground research laboratory (URL) (performed by JAEA in the Horonobe URL in Japan). Task D consisted of the three steps, a preliminary step (Step 0), simulation of the laboratory tests (Step 1) and simulation of the in-situ full-scale EBS experiment (Step 2). Since the Horonobe EBS experiment demonstrates the vertical emplacement option of the EBS, the experiment gallery is also backfilled with the backfill material. Therefore, interaction between the EBS and the backfill material can also be demonstrated, such as deformation (change of density) of the buffer material. The underground water in the Horonobe URL is saline. This fact adds chemical processes to THM behaviour. For example, mechanical properties (such as swelling pressure of the buffer material and backfill material) and hydraulic properties (such as permeability of the buffer material and backfill material) change depending on the water chemistry. Task D was therefore a challenging Task focused on not only the relatively simple THM behaviour but also complex THM behaviour including chemical processes. Six research teams (BGR, CAS, JAEA, KAERI, SNL and Taipower) participated the Task D. BGR, CAS, JAEA, KAERI and Taipower research teams selected a THM approach, while the SNL research team selected a TH approach. Step 1 involved the simulation of laboratory test results and was important to check the numerical codes developed by the research teams. Step 1 was divided into four sub steps. The simulation results through the Step 1 identified the parameters for simulation of the Step 2. Basic parameters of the materials (buffer material, backfill material, rock mass, concrete, sand) were provided by JAEA. Special parameters which research team needed were identified by back analysis of Step 1. Most notably the mechanical behaviour of swelling and displacement depended on the applied model (elastic model or elastoplastic model). Parameters such as Young’s modulus were found to need smaller values than characterised in the fundamental laboratory test results (Step 1-1, 1-2) for the elastic model. Although laboratory experiments are usually simple, test results contained some error. For example, if the saturation level is 100 % or higher, it should be considered an error. This situation was presented in the Step 1-3. A possible reason is that the buffer material is a mixture of bentonite and silica sand. When a specimen is cut to measure volume or weight, sand grains will affect the measurement data. In Step 2, boundary conditions such as temperature on the surface of the simulated overpack, heater power of the electrical heaters installed in the simulated overpack, injection pressure and inflow rate of the test water, were applied. The outer boundary conditions can be selected using measured data (injection pressure and inflow rate of the test water that is controlled by the injection systems installed in the sand layer around the buffer material and in the boundary between backfill material and concrete support). Since such measured data has some noise, research teams developed their own simplified boundary conditions. Inner boundary conditions can be selected using measured data as heater power and temperature on the surface of the simulated overpack. These data also contain some noise, so research teams developed their own simplified developed boundary conditions. Task D validated various approaches thorough the simulation of the in-situ full scale EBS system including backfill of the gallery: variations in the coupling processes (THM or THC), analysis codes, and boundary conditions. Temperature distribution in the buffer material was simulated well by all research teams. This means thermal behaviour is not sensitive to the simulation approaches. Although the water content distribution on the outside of the buffer material was well simulated by all research teams, the simulation results differ from the measured values inside the buffer material (at the centre and inside, near the simulated overpack). The buffer material is made from tap water, but in the in-situ experiment, saline groundwater infiltrates the buffer material. Therefore, the selection of the hydraulic parameters of the buffer material greatly affects the simulation results of the re saturation behaviour of the buffer material. In the Horonobe EBS experiment, measured values suitable for validating the simulation results were not obtained near the simulated overpack. When simulating the pressure and deformation of the buffer material, the measurement data is easily affected by the installation conditions of the measurement sensors, so verifying the measurement data itself remains an issue. Mechanical simulation results differ depending on whether they are considered as elastic or elastoplastic phenomena. The accuracy of measured in-situ data can be assessed by detailed analysis comparing sampling specimen analysis and measured data. The Horonobe EBS experiment is scheduled to be dismantled in the future (FY2026 and 2027). This detailed dismantling investigation will finally confirm the measured data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

A new woven composite constitutive model validated by shock wave experiments

In this paper, we present results of plate impact simulations of shock compressed woven glass fiber-reinforced plastic (GRP) performed using the Arbitrary Lagrangian–Eulerian three-dimensional finite element code. A hyperelastic large-strain-based empirical Continuum Damage Mechanics (CDM) formulation is employed to describe damage initiation and growth in the shock-compressed GRP. The model parameters calibration scheme utilizes the Velocity Interferometer System for Any Reflector normal particle velocity measurements at the free surface of the GRP target plates. The impact velocity in the experiments ranged from 8.5 to 418 m/s. The finite element model considered planar 0°/90° bidirectional plies with an individual ply thickness of 0.68 mm, stacked to reach a total laminate thickness of 6.8 mm. The anisotropic elastic strains were estimated from the experimentally determined tetragonal symmetry stiffness matrix for the GRP. The strain-based damage model captures several salient features observed in the measured free surface particle wave profiles, including the shock rise time, onset of Elastic—Elastic Cracking, and the shape of the nonlinear portion of the experimental particle velocity profiles. Furthermore, the CDM model predicts the dominant damage mode to be matrix microcracking due to shear and the associated bulk expansion (bulking) under the global compressive loading in the plate impact configuration.

42 ENGINEERING↗
DOE OSTI2026

Advancing SiC clad fuel performance model: bridging micro- and macro-scale models and experimental validation

This report presents a workflow for advancing fuel performance modeling of SiC composite cladding for light-water reactors by linking microscale, experimental data-informed finite element analysis with rod-scale fuel performance codes such as BISON. The workflow uses X-ray computed tomography (XCT) to capture the actual geometry and processing-induced defects of as-fabricated SiC composite tube specimens, particularly porosity and wall-thickness variations, and converts the segmented XCT volumes into image-based finite element meshes for high fidelity structural analysis.

Koyanagi, Takaaki [Oak Ridge National Laboratory (↗
DOE OSTI2024

Solidification and crystallographic texture modeling of laser powder bed fusion Ti-6Al-4V using finite difference-monte carlo method

Laser powder bed fusion (LPBF) additive manufacturing makes near-net-shaped parts with reduced material cost and time, rising as a promising technology to fabricate Ti-6Al-4V, a widely used titanium alloy in aerospace and medical industries. However, LPBF Ti-6Al-4V parts produced with 67° rotation between layers, a scan strategy commonly used to reduce microstructure and property inhomogeneity, have varying grain morphologies and weak crystallographic textures that change depending on processing parameters. Here, this study predicts LPBF Ti-6Al-4V solidification at three energy levels using a finite difference-Monte Carlo method and validates the simulations with large-area electron backscatter diffraction (EBSD) scans. The developed model accurately shows that a <001> texture forms at low energy and a <111> texture occurs at higher energies parallel to the build direction but with a lower strength than the textures observed from EBSD. A validated and well-established method of combining spatial correlation and general spherical harmonics representation of texture is developed to calculate a difference score between simulations and experiments. The quantitative comparison enables effective fine-tuning of nucleation density (N 0 ) input, which shows a nonlinear relationship with increasing energy level. Future improvements in texture prediction code and a more comprehensive study of N 0 with different energy levels will further advance the optimization of LPBF Ti-6Al-4V components. These developments contribute a novel understanding of crystallographic texture formation in LPBF Ti-6Al-4V, the development of robust model validation and calibration pipeline methodologies, and provide a platform for mechanical property prediction and process parameter optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Simulation of CEFR neutronic start-up tests with FENNECS

This paper presents simulation results of selected Neutronic Start-up Tests of the China Experimental Fast Reactor (CEFR) obtained by the neutronics code FENNECS that have been performed within the frame of the IAEA Coordinated Research Program I31032. The Finite Element Neutronics code FENNECS is developed at GRS and solves the few-group steady-state and transient diffusion equation using a Galerkin-based finite element approach. Its main purpose is the safety assessment of Small Modular Reactors and Micro Reactors with complex geometry (e.g., rotating control drums) which gain increased interest internationally. Serpent has been applied to create reference models of the CEFR and cross-section libraries in 10 energy groups for FENNECS. Using these libraries, the following experiments have been simulated with FENNECS: net criticality, control rod integral and differential worth, void reactivity effect, subassembly exchange reactivity effects and reaction rate distribution. The obtained satisfactory agreements with the measurements represent a valuable contribution to the validation of FENNECS. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Modeling fission product diffusion in TRISO fuel particles with BISON

Diffusion of fission products in intact TRISO particles depends on particle geometry, fission product source rates, time, temperature, and temperature-dependent diffusion coefficients. Simulating this diffusion process requires models for source rates and diffusion coefficients, plus computation of the temperature field if not prescribed. In addition, simulation quality depends on discretization of the geometry, appropriate time stepping, and the accuracy of the solution method. In this paper, we explore the simulation of fission product diffusion in TRISO fuel particles using the finite element method via the fuel performance code Bison. Recent material model development has occurred in Bison for each material present in tri-structural isotropic (TRISO) fuel particles: the buffer, inner pyrolytic carbon, silicon carbide, and outer pyrolytic carbon layers, as well as the fuel kernel. Also, new mesh generation and fission product release fraction capabilities have been added. Diffusion capabilities are shown to converge to the correct solution via formal verification tests. A large number of code benchmarking problems are also given, with good results, showing that Bison’s computed release fractions closely match those of other software tools. Finally, a significant validation effort is detailed in which fission product release, measured as part of the AGR-1 capsule experiments, is compared to Bison outputs. Bison outputs compare very well to the experimental data and to PARFUME results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

A genomic data archive from the Network for Pancreatic Organ donors with Diabetes

The Network for Pancreatic Organ donors with Diabetes (nPOD) is the largest biorepository of human pancreata and associated immune organs from donors with type 1 diabetes (T1D), maturity-onset diabetes of the young (MODY), cystic fibrosis-related diabetes (CFRD), type 2 diabetes (T2D), gestational diabetes, islet autoantibody positivity (AAb+), and without diabetes. nPOD recovers, processes, analyzes, and distributes high-quality biospecimens, collected using optimized standard operating procedures, and associated de-identified data/metadata to researchers around the world. Herein describes the release of high-parameter genotyping data from this collection. 372 donors were genotyped using a custom precision medicine single nucleotide polymorphism (SNP) microarray. Data were technically validated using published algorithms to evaluate donor relatedness, ancestry, imputed HLA, and T1D genetic risk score. Additionally, 207 donors were assessed for rare known and novel coding region variants via whole exome sequencing (WES). These data are publicly-available to enable genotype-specific sample requests and the study of novel genotype:phenotype associations, aiding in the mission of nPOD to enhance understanding of diabetes pathogenesis to promote the development of novel therapies.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

PolyID™ (Polymer Inverse Design) [SWR-21-98]

PolyID™ provides a framework for building, training, and predicting polymer properties using graph neural networks. The codes leverages Neural Fingerprint (nfp) (See DOE Code ID 22185) for building tensorflow-based message-passing neural networks, and Monomers to Polymers (m2p) (See DOE Code ID 44795) for building polymer structures. To understand and use the pipeline, the following examples have been provided: Building polymer structures: examples/example_generate_polymer_structures.ipynb Checking domain of validity: examples/example_determine_domain-of-validity.ipynb Training a graph neural network: examples/example_generate_and_train_models.ipynb Predicting with the trained model: examples/example_predict_with_trained_models.ipynb

Wilson, Nolan↗
DOE OSTI2020

Residential Building Energy Efficiency Field Studies: Low-Rise Multifamily

In recent years, the U.S. Department of Energy (DOE) has conducted a series of research studies to validate energy efficient building technologies in the field. Much of the work has focused on single-family construction, and some has also addressed commercial energy codes. The work detailed in this DOE-funded study (EE0007616) focuses on low-rise multifamily buildings (three stories or fewer above grade) in various regions of the United States, and reports on how state-level building codes are being implemented, both in terms of observed characteristics and also in terms of estimated energy impacts. Nearly 100 buildings across four states—Illinois, Minnesota, Oregon, and Washington—were sampled, which represent a range of climate types from mild temperature to very cold continental. Both common entry and outdoor entry buildings were included, and a parallel research project evaluated envelope air tightness and current still-evolving air tightness testing methods. Finally, a set of structured interviews of building designers and other relevant professionals was carried to out to gain more insight into this market. To the greatest extent possible, the methodology developed under the project for low-rise multifamily buildings mirrored the approach established by Pacific Northwest National Laboratory (PNNL) for single-family residential buildings (https://www.energy.gov/eere/buildings/downloads/residential-building-energy-code-field-study). This included the general approach to sampling, recruitment, and data collection, as well as data analysis and presentation. The range of permitting dates for the sites encompassed two energy code cycles in most regions. All states in the study had adopted a variation of the International Energy Conservation Code (IECC) for the structure of their state code. The low-rise multifamily occupancy presents a hybrid building type: most of the building’s conditioned floor area was covered by the residential chapter of the code while portions of the building (such as corridors and common spaces) fell under the commercial code chapter. The key items assessed in this work were: Building Shell—exterior wall insulation, ceiling insulation, foundation insulation, windows. Common Areas—HVAC and lighting. Living Units—lighting, ventilation. A few items were not assessed in detail, given their relative paucity in this occupancy type; these included duct leakage, pipe insulation, and hot water circulation controls. Building characteristics were collected via a combination of architectural, mechanical, electrical, and plumbing plan reviews and field inspections, and entered into a spreadsheet-based tool that was later queried to build a database. Data went through quality control both upon arrival and via a later semi-automated review and assurance process. Most of the data are presented graphically so that the reader can quickly assess compliance with the applicable energy codes (both by state and by code year). As a final step, EnergyPlus™ simulations were created for all buildings in the study to estimate both the as-found energy use intensity (EUI) and the energy and CO 2 that could be saved if features that were found to not meet code minimums were brought up to code. The savings estimates were tabulated for each of the four states in the study. The research team found that the single-family approach was largely applicable to low-rise multifamily buildings. This applies to both the data collection and the prototype EUI analysis. Most of the occupied space is living units and falls under residential energy codes, and many characteristics use similar envelope construction and relatively straightforward mechanical systems and lighting. One of the most challenging aspects of this work was to build an effective spreadsheet-based data collection instrument that could allow efficient collection of both building plan and field data. The research team is of the view that other methods could be equally effective if the work is done carefully with diligent quality control. The primary findings for the work center around the thermal envelope and mechanical systems and lighting at the sites: For thermal envelope components, the majority of buildings met or were better than the prescriptive code.This suggests that building designers and builders are aware of code requirements. In some cases, surveyed buildings were designed to qualify for energy efficiency certification programs. These buildings made up at least 20% of sampled buildings in each state. Almost all buildings met mechanical system efficiency requirements (for both living units and common areas). In some cases, sites employed systems that were considerably more efficient than required by the applicable energy code. Dwelling units had a majority of high-efficacy lighting, often in excess of the state’s residential code requirements. While high-efficacy fixtures were also typical in common areas (corridors and stairwells), lighting power densities (LPDs) in these areas were sometimes higher than levels dictated by the applicable part of the state commercial energy code. The simulation models run on a series of low-rise multifamily prototypes, informed by a composite of the field data collected, calculated annual EUIs of between 20 and 50 kBtu/ft2-yr, with the range representing the effects of both building characteristics and building location (climate zone). A detailed process (based on simulations of prototype buildings) was used to estimate the amount of avoided energy use that would occur if 100% adherence to energy codes were attained. The results indicated modest savings are attainable for items such as window thermal performance and common area lighting. The result is overall only a modest potential for additional energy savings, averaging about 10% of EUI.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

ATOMIC Simulations and Experimental Data for Sodium and Copper Mixtures

This data consists of simulations and experimental measurements of laser-induced breakdown spectroscopy (LIBS). The simulations are produced by ATOMIC, a general purpose plasma modeling and kinetics code that has been designed to compute emission (or absorption) spectra from plasmas [1]. Our overall suite of simulations contains 12 sets of simulations: training and validation sets of simulations for each of two resolutions of each of sodium, copper, and mixtures of the two. The training data were produced using a 500-run design that varies input parameters temperature (T), electron density (Ne), proportion of sodium (pNa), and proportion of copper (pCu). The latter two variables sum to one and are unused in the single-element simulations. The validation data was produced with a 25-run design. The coarse simulations produce spectra over a range of 240nm - 880nm that roughly mimics the range collected by the ChemCam instrument on the Mars rover Curiosity. The fine resolution simulations produce spectra over a range of 550nm to 600nm and were produced to mimic the included experimental results. The experimental results cover four mixtures of sodium and copper. All data sets are kept in zip files whose names indicate the elemental composition (NaCu, Na, or Cu), resolution (coarse or fine), and purpose (training or validation) with file names numbered to indicate the line in the design files used to produce the simulation. The designs are provided as text files with names indicating their purpose. The experimental data is provided as a CSV file. See attached abstract for figures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Review of HAYNES® 282® alloy for supercritical CO2 structural applications

In this paper, HAYNES® 282® alloy (282® alloy) properties, microstructure, high temperature oxidation resistance, weldability, and American Society of Mechanical Engineers (ASME) code case highlights are reviewed. The long term performance of high temperature, high strength, creep resistant alloys is critical to the success of supercritical carbon dioxide equipment. Several modern power generation technologies require alloys that can operate continuously at or above 700oC. 282® alloy is a precipitation strengthened nickel based super alloy that meets these requirements. The results of 282® alloy research reviewed in this paper include longterm cyclic oxidation behavior in air and sCO2, independent research and validation of 100k hour creep life, and successful welding of the alloy in the age hardened condition. The latter is critical for joining of hardened components (flanges, piping, heat exchanger internal, etc.) and field repair. Several highlights from the code case for this ASMEapproved material are also presented.

Tossey, Brett↗
DOE OSTI2020

Validation of MCNP Critical Benchmark Models of PU-MET-FAST-016

A new centralized repository of high-quality MCNP models of critical benchmark experiments is currently under development at Los Alamos National Laboratory (LANL). The repository is the combined effort of the Nuclear Criticality Safety, Nuclear Data, and Monte Carlo code development/application organizations at LANL. The initial set of benchmark models in the repository are derived from the Whisper Suite provided with MCNP6.2 and are evaluated against the benchmark experiments described in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook. The goal is to build a single LANL benchmark collection that is up to date with the latest ICSBEP revision, has a formal review and revision process, is contained in an open-source repository, and utilizes new Python tools for improved input and output file review. This paper describes the validation of the models associated with PU-MET-FAST-016, “Flooded 3X3X3 Arrays of 3-kg Plutonium (Pu) Metal Cylinders – Phase I”. In this critical experiment, twenty-seven 3-kg Pu metal cylinders with a height of 46.33 ± 0.15 mm and diameter of 65.25 ± 0.05 mm were arranged in a cubic array. The Pu cylinders were sealed in aluminum cans, and three cans were placed in each of nine perforated aluminum sleeves, as shown in Fig. 1. The nine sleeves were supported by an aluminum frame that allowed for control of the lateral spacing of the cylinders, both in the X and Y directions. The benchmark experiment measured thirteen configurations. Of these configurations, six were modeled using MCNP.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Validation of Reactive Flow Capabilities in PAGOSA

Several reactive flow modeling capabilities are studied and applied to physics problems of interest in the PAGOSA hydrocode with an emphasis on validation. The Davis equation of state and the Arrhenius shock temperature dependent WSD (AWSD) reactive flow model have been implemented by the author in PAGOSA over the last year. These high-explosive modeling options along with the previously existing HE-JWL equation of state and the SURF/SURFplus reactive flow models are discussed, exercised and compared. Validation of the models analyze numerical results against experimental data from cylinder tests, two-stage gas gun experiments and proton radiography (pRad) experiments. Applications of the modeling options are explored involving both HMX based PBX 9501 and TATB based PBX 9502. The effect of mesh size is considered for prediction of phenomena such as corner turning and dead zones, and the relative code performance of the modeling options is discussed.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Validation of a comprehensive first-principles-based framework for predicting the performance of future stellarators

This paper presents the validation of the GENE-KNOSOS-Tango framework for recovering both the steady-state plasma profiles in the considered radial domain and selected turbulence trends in a stellarator. This framework couples the gyrokinetic turbulence code GENE, the neoclassical transport code KNOSOS, and the transport solver Tango in a multi-timescale simulation feedback loop. Ion-scale kinetic-electron and electron-scale adiabatic-ion flux-tube simulations were performed to evolve the density and temperature profiles for four OP1.2b W7-X scenarios. The simulated density and temperature profiles showed good agreement with the experimental data using a reasonable set of boundary conditions. Equally important was the reproduction of observed trends for several turbulence properties, such as density fluctuations and turbulent heat diffusivities. Key effects were also touched upon, such as electron-scale turbulence and the neoclassical radial electric field shear. The validation of the GENE-KNOSOS-Tango framework enables credible predictions of physical phenomena in stellarators and reactor performance based on a given set of edge parameters.

Gyrokinetic simulations↗
DOE OSTI2021

Charged Particle Transport Libraries (Final Report FY2020 Level-2 Milestone #7127)

This document is the final report on the status and developments of the Charged-Particle Transport (CPT) Level-2 (“CP2020”) ASC/PEM Milestone work. This section gives an overview of the CP2020 work partitioned into two subsections: 1) a summary of the code tools used for generating CP (and other) data in Section 1.2; and 2) and library data and codes access information for end users in Section 1.3. Section 2 gives an overview of the status of previous work on charged-particle (CP) nuclear data, particularly focused on the work of the FY2011 CP Level-2 Milestone. New work for CP2020 is detailed in the following Section 3. Section 4 discusses testing and validation of the evaluated and processed data for the CP2020 library. Conclusions based on the experience of this Level-2 work and the outlook for future development of CPT-relevant data are given in the final Section 5. Appendices, detailed throughout the report, are provided for further information. This report, related documentation, codes, and the CPT nuclear data libraries are available via online repository.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

FREDA: A Web Application for the Processing, Analysis, and Visualization of Fourier‐Transform Mass Spectrometry Data

The high-resolution measurement capability of Fourier-transform mass spectrometry (FT-MS) has made it a necessity for exploring the molecular composition of complex organic mixtures, like soil, plant, aquatic, and petroleum samples. This demand has driven a need for informatics tools to explore and analyze FT-MS data in a robust and reproducible manner. FREDA is an interactive web application developed to enable spectrometrists to format, process, and explore their FT-MS data without the need for statistical programming expertise. FREDA was built to explore outputs from a molecular identification tool, like CoreMS, and provide a suite of methods to filter data, compute chemical properties of peaks, statistically compare samples and groups of samples, conduct exploratory data analysis, and download the results with a report detailing all steps conducted. To demonstrate the utility of FREDA, an example analysis was conducted using FT-MS data from a soil microbiology study of samples collected in two different soil depths at the Sphagnum bog forest north of Grand Rapids, Minnesota. Differences between the two depths are observed using Kendrick, Gibbs free energy, and van Krevelen plots. G-tests are used to quantify a significant difference between the groups. All analyses and plotting are conducted using only the FREDA application. FREDA is an open-source and readily available web application that allows users to explore and make statistically valid conclusions about their FT-MS data. The application is available online (https://map.emsl.pnnl.gov/app/freda) with a tutorial web series (https://youtu.be/k5HLE2kNSBY?si=yB6sGoyvzxrFf5MP) and freely accessible code on Github (https://github.com/EMSL-Computing/FREDA).

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Preliminary verification of the MCNP perturbation and fixed-source tally sensitivity tools

Integral benchmark experiments are vital in the adjustment and validation of the nuclear data that govern predictive simulations across the nuclear community. The nuclear data sensitivity capabilities of the Monte Carlo N-Particle (MCNP ®) transport code are currently limited; however, expanding sensitivity capabilities will allow benchmark experiments to be designed to resolve compensating errors and adjust nuclear data where previously prohibitively difficult. This paper provides details of a preliminary verification for the use of (i.) the recently revised perturbation and (ii.) developmental fixed-source sensitivity tools within MCNP to calculate sensitivities of tallied responses (such as current integrated over a surface, F1, and flux averaged over a cell, F4) to nuclear data in fixed-source simulations. Energy-binned and energy-integrated sensitivities calculated with these tools are compared against sensitivities calculated using a central-difference approximation. Here, the verification is completed for four configurations of a benchmarked system using a 4.5-kg plutonium sphere surrounded by varying amounts of copper and/or polyethylene. The results show that sensitivities calculated with the perturbation and fixed-source sensitivity tools agree with the central-difference-based approach.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗