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All sources NASA NTRS DOE OSTI

DOE OSTI2015

Criticality calculations of the Very High Temperature Reactor Critical Assembly benchmark with Serpent and SCALE/KENO-VI

Within the framework of the IAEA Coordinated Research Project on HTGR Uncertainty Analysis in Modeling, criticality calculations of the Very High Temperature Critical Assembly experiment were performed as the validation reference to the prismatic MHTGR-350 lattice calculations. Criticality measurements performed at several temperature points at this Japanese graphite-moderated facility were recently included in the International Handbook of Evaluated Reactor Physics Benchmark Experiments and represent one of the few data sets available for the validation of HTGR lattice physics. Here, this work compares VHTRC criticality simulations utilizing the Monte Carlo codes Serpent and SCALE/KENO-VI. Reasonable agreement was found between Serpent and KENO-VI, but only the use of the latest ENDF cross section library release, namely the ENDF/B-VII.1 library, led to an improved match with the measured data. Furthermore, the fourth beta release of SCALE 6.2/KENO-VI showed significant improvements from the current SCALE 6.1.2 version, compared to the experimental values and Serpent.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Time dependent supervisory control update with FARM using rolling window

This report describes improvements to the Feasible Actuator Range Modifier (FARM) component of the RAVEN-based HYBRID framework for analysis of Integrated Energy Systems (IES). FARM supports the HERON plug-in that solves the power dispatch problem. The solution to the dispatch problem involves economically optimal dispatches that satisfy limits on production variables and their rates of variation (explicit constraints) as well as process variables tied to the service life of equipment (implicit constraints). FARM serves to validate or confirm that a HERON solution for explicit constraints also satisfies the implicit constraints. FARM-alpha was released by Argonne National Laboratory in January 2021 followed by FARM-Beta in January 2022 with the latter providing increased flexibility for the user. In this report, FARM-Gamma, the latest version of the code, is described. The major improvement is the implementation of a system identification algorithm based on the Dynamic Mode Decomposition with Control (DMDc) coupled with a “Rolling Window” scheme that allows obtaining linear time-varying state-space models. This feature equips FARM with the most accurate approximation of system dynamics, and it relieves the user from the burden of performing an exhaustive off-line characterization of the dynamics. FARM-Gamma capabilities are assessed by solving the power dispatch problem for a representative IES unit. The simulation times corresponding to the different releases are estimated and compared. These values capture the increasing computational burden of the successively higher fidelity state-space models adopted by FARM-Alpha, FARM-Beta and FARM-Gamma. The code implementation provides significant flexibility, i.e., the user can always select the most suitable version of FARM according to the problem to be solved and the available computational resources. It is anticipated that FARM will play a role in addressing several future IES applications. We outline how it can support the coordinated management and safe operation of a nuclear plant coupled to industrial processes to produce hydrogen and synfuels.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

T2Well-ECO2NV2 v1.0 beta

T2Well-ECO2NV2 combines the T2Well code for simulating coupled well-reservoir fluid and heat flow with the ECO2N Version 2.0 equation of state module for calculating the fluid properties of water-CO2-salt mixtures at high temperatures. The combination of these two capabilities in T2Well-ECO2NV2 creates the capability of simulating injection and withdrawal of fluids in high-Temperature geothermal or geologic carbon sequestration systems. While the previously released T2Well-ECO2N Version 1.0 was useful for geologic carbon sequestration, the new T2Well-ECO2NV2 has capabilities for higher temperature and thereby allows the simulation of CO2-rich geothermal systems.

Oldenburg, CurtisM↗

DOE OSTI2015

Smisc - A collection of miscellaneous functions

A collection of functions for statistical computing and data manipulation. These include routines for rapidly aggregating heterogeneous matrices, manipulating file names, loading R objects, sourcing multiple R files, formatting datetimes, multi-core parallel computing, stream editing, specialized plotting, etc. Smisc-package A collection of miscellaneous functions allMissing Identifies missing rows or columns in a data frame or matrix as.numericSilent Silent wrapper for coercing a vector to numeric comboList Produces all possible combinations of a set of linear model predictors cumMax Computes the maximum of the vector up to the current index cumsumNA Computes the cummulative sum of a vector without propogating NAs d2binom Probability functions for the sum of two independent binomials dataIn A flexible way to import data into R. dbb The Beta-Binomial Distribution df2list Row-wise conversion of a data frame to a list dfplapply Parallelized single row processing of a data frame dframeEquiv Examines the equivalence of two dataframes or matrices dkbinom Probability functions for the sum of k independent binomials factor2character Converts all factor variables in a dataframe to character variables findDepMat Identify linearly dependent rows or columns in a matrix formatDT Converts date or datetime strings into alternate formats getExtension Filename manipulations: remove the extension or path, extract the extension or path getPath Filename manipulations: remove the extension or path, extract the extension or path grabLast Filename manipulations: remove the extension or path, extract the extension or path ifelse1 Non-vectorized version of ifelse integ Simple numerical integration routine interactionPlot Two-way Interaction Plot with Error Bar linearMap Linear mapping of a numerical vector or scalar list2df Convert a list to a data frame loadObject Loads and returns the object(s) in an ".Rdata" file more Display the contents of a file to the R terminal movAvg2 Calculate the moving average using a 2-sided window openDevice Opens a graphics device based on the filename extension p2binom Probability functions for the sum of two independent binomials padZero Pad a vector of numbers with zeros parseJob Parses a collection of elements into (almost) equal sized groups pbb The Beta-Binomial Distribution pcbinom A continuous version of the binomial cdf pkbinom Probability functions for the sum of k independent binomials plapply Simple parallelization of lapply plotFun Plot one or more functions on a single plot PowerData An example of power data pvar Prints the name and value of one or more objects qbb The Beta-Binomial Distribution rbb And numerous others (space limits reporting).

Landon Sego, PNNL↗

DOE OSTI2015

Smisc - A collection of miscellaneous functions

Landon Sego, PNNL↗

DOE OSTI2015

Many-body forces in the equation of state of hyperonic matter

In this work we introduce an extended version of the formalism proposed originally by Taurines et al. that considers the effects of many-body forces simulated by nonlinear self-couplings and meson–meson interaction contributions. In this extended version of the model, we assume that matter is at zero temperature, charge neutral, and in beta-equilibrium, considering that the baryon octet interacts by the exchange of scalar–isoscalar (σ, σ{sup ∗}), vector–isoscalar (ω, ϕ), vector–isovector (ϱ), and scalar–isovector (δ) meson fields. Using nuclear matter properties, we constrain the parameters of the model that describe the intensity of the indirectly density dependent baryon–meson couplings to a small range of possible values. We then investigate asymmetric hyperonic matter properties. We report that the formalism developed in this work is in reasonable agreement with experimental data and also allows for the existence of massive hyperon stars (with more than 2 M{sub ⊙}) with small radii, compatible with astrophysical observations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

MCNP 6.2.0 Delayed-Particle Production Improvements

Development began on a delayed-particle physics package for the Monte Carlo Radiation transport code MCNPX in 2004 incorporating the CINDER90 depletion code and delayed particle libraries. When MCNP5 was merged with MCNPX to form MCNP6 in 2010, this delayed-particle capability was passed on and has been continuously improved in subsequent versions of MCNP6. Today, the delayed-particle feature in MCNP6 allows for the production of delayed neutrons, gammas, betas, and alpha particles. Future development includes the addition of delayed-positron production in the next release of MCNP6. Delayed particles can be sampled with MCNP using the ACT card in conjunction with the FISSION and NONFISS keywords. The user can specify one or more of the four available delayed-particle types mentioned above on one or both of the FISSION and NONFISS keywords. If a delayed-particle type is selected on the FISSION keyword, then delayed production of that particle from fission products and their progeny will be produced. Likewise, if a delayed-particle type is selected on the NONFISS keyword then delayed production of that particle from non-fission interactions and spontaneous decay will be produced. In some cases, the sheer number of delayed particles that can be produced from nuclear reactions and spontaneous decay (i.e. hundreds of delayed gamma lines when spontaneous fission is possible) can make it difficult to achieve converged solutions in an efficient and timely manner. Truncation methods are the simplest form of variance reduction and can be used to decrease convergence times by limiting calculations to the phase space of interest. This paper introduces several such truncation methods that allow the user to restrict the number of possible delayed particles available for sampling to only those of interest in the problem. It is important to stress that the use of any truncation method should be verified by first assessing the impact of the truncated particles (i.e. by disabling the truncation) for one or more baseline cases. In addition to these new methods, a new delayed-gamma sampling algorithm implemented in MCNP 6.2.0 is introduced. Comparisons to ENDF data and analytical benchmarking with the new algorithm show a substantial improvement in accuracy over previous versions. New improvements to the delayed-particle capability have been added to MCNP 6.2.0. These improvements include an updated treatment of the THRESH keyword which omits delayed-particle lines below a set amplitude, and addition of the PECUT and HLCUT keywords which allow the user to truncate delayed-particles lines based on energy and half-life, respectively. The delayed-gamma sampling algorithm has also been improved to allow exact energy sampling. Comparisons of MCNP calculations directly to ENDF data and analytical benchmarks have verified the significant improvement in the new delayed gamma sampling algorithm. (authors)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2011

Simulation of interactions of electrons and positrons with matter in MCU-PD code

The Monte Carlo method is used in the MCU code-an application package for solving equations of transport of neutrons, photons, electrons, and positrons. The code has a modular structure, and every working version of the code is formed from modules and submodules depending on the problem in question. The submodules BETA and BEG, included in the SOFIZM compound physical module of the MCU-PD code, are described: BETA submodule simulates interaction of electrons and positrons with matter and BEG submodule generates photons in the electron and positron reactions with matter. The library of constants which is involved in the MCUDB50 database and supports execution of the MCU-PD code is briefly characterized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1993

Beta Regio - Phoebe Regio on Venus: Geologic mapping with the Magellan data

The geologic maps of C1-15N283 and C1-00N283 sheets were produced (preliminary versions) with Magellan SAR images. This work was undertaken as a part of Russia's contribution into C1 geologic mapping efforts. The scale of the original maps is 1:8,000,000, and the maps are reproduced here at a reduced size.

Nikishin, A. M.↗

DOE OSTI2021

Sensitivity-based Similarity Metrics for New Experiment Design Optimization

The nuclear data used in advanced reactor simulations requires validation. Data from nuclear criticality experiments can provide this validation. New nuclear criticality experiment design requires extensive knowledge and expert judgement such that the experimental design parameters are selected in such a way to keep the experiment subcritical. To aide in this experimental design process, professionals can utilize sensitivity and uncertainty analysis. Sensitivity and uncertainty analysis relies on matching new application experiments with currently existing benchmark experiments. Currently, there is functionality in the Whisper 1.1 software package to calculate a similarity metric based on neutron multiplication factor sensitivity coefficients between a new application designed by the user and existing International Criticality Safety Benchmark Experiment Project (ICSBEP) benchmarks. The Whisper 1.1 software package is included in Monte Carlo N-Particle ® Code Version 6.21 (MCNP ® 6.2). This work is geared toward expanding this capability to new similarity metrics based on beta-effective sensitivity coefficients and reactivity coefficient sensitivity coefficients. While the investigation of these sensitivity coefficients is presented in detail in separate works at this same conference, this work will be primarily focused on studying the similarity metrics in more detail. These similarity metrics will then be incorporated into the optimization algorithms used for experiment design in EUCLID (Experiments Underpinned by Computational Learning for Improvements in nuclear Data), which is a Los Alamos National Laboratory (LANL) project designed to constrain nuclear data of interest, such that adjustments can be made to possible inaccuracies. A more detailed optimization can be subsequently performed by breaking down these similarity metrics by isotope, reaction, and energy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

Online Waste Library (OWL) and Waste Forms Characteristics Annual Report

This report represents completion of milestone deliverable M2SF-19SNO10309013 "Online Waste Library (OWL) and Waste Forms Characteristics Annual Report" that reports annual status on fiscal year (FY) 2019 activities for the work package SF-19SN01030901 and is due on August 2, 2019. The online waste library (OWL) has been designed to contain information regarding United States (U.S.) Department of Energy (DOE)-managed (as) high-level waste (DHLW), spent nuclear fuel (SNF), and other wastes that are likely candidates for deep geologic disposal, with links to the current supporting documents for the data (when possible; note that no classified or official-use-only (OUO) data are planned to be included in OWL). There may be up to several hundred different DOE-managed wastes that are likely to require deep geologic disposal. This annual report on FY2019 activities includes evaluations of waste form characteristics and waste form performance models, updates to the OWL development, and descriptions of the management processes for the OWL. Updates to the OWL include an updated user's guide, additions to the OWL database content for wastes and waste forms, results of the beta testing and changes implemented from it. Also added are descriptions of the management/control processes for the OWL development, version control, and archiving. These processes have been implemented as part of the full production release of OWL (i.e., OWL Version 1.0), which has been developed on, and will be hosted and managed on, Sandia National Laboratories (SNL) systems. The version control/update processes will be implemented for updates to the OWL in the future. Additionally, another process covering methods for interfacing with the DOE SNF Database (DOE 2007) at Idaho National Laboratory on the numerous entries for DOE-managed SNF (DSNF) has been pushed forward by defining data exchanges and is planned to be implemented sometime in FY2020. The INL database is also sometimes referred to as the Spent Fuel Database or the SFDB, which is the acronym that will be used in this report. Once fully implemented, this integration effort will serve as a template for interfacing with additional databases throughout the DOE complex.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Sensitivity of a tonne-scale NEXT detector for neutrinoless double-beta decay searches

The Neutrino Experiment with a Xenon TPC (NEXT) searches for the neutrinoless double-beta (0νββ) decay of 136 Xe using high-pressure xenon gas TPCs with electroluminescent amplification. A scaled-up version of this technology with about 1 tonne of enriched xenon could reach in less than 5 years of operation a sensitivity to the half-life of 0νββ decay better than 10 27 years, improving the current limits by at least one order of magnitude. This prediction is based on a well-understood background model dominated by radiogenic sources. The detector concept presented here represents a first step on a compelling path towards sensitivity to the parameter space defined by the inverted ordering of neutrino masses, and beyond.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1991

Research accomplished at the Knowledge Based Systems Lab: IDEF3, version 1.0

An overview is presented of the foundations and content of the evolving IDEF3 process flow and object state description capture method. This method is currently in beta test. Ongoing efforts in the formulation of formal semantics models for descriptions captured in the outlined form and in the actual application of this method can be expected to cause an evolution in the method language. A language is described for the representation of process and object state centered system description. IDEF3 is a scenario driven process flow modeling methodology created specifically for these types of descriptive activities.

Mayer, Richard J.↗

DOE OSTI2025

1000 Soils Pilot Dataset, version 8, May 2025

This record hosts data generated by the 1000 Soils Pilot. Data will be updated as more become available. Please see the most recent data upload for current data. A beta visualization tool is available for some data types at https://shinyproxy.emsl.pnnl.gov/app/1000soils. Please submit any suggestions or comments through the 'contact' tab. We are actively working to improve visualizations and value all feedback. Data completed include: Geochemistry, texture, respiration, and enzyme activities FTICR-MS organic matter chemistry Microbial biomass C and N TOC/TDN of water-extractable OM X-ray computed tomography (derived metrics available here, raw data available upon request) Metagenomes; a variety of data formats are available upon request Soil hydraulic properties Data in progress: LC-MS/MS in development, timeline TBD, inquire for status 1000S_processed_BGC_summary.csv contains all available biogeochemical data; microbial biomass C and N; and TOC/TDN of water-extractable OM; and 1000S_Tomography.xslx contains a summary of data generated via X-ray computed tomography. icr_v2_corems2.csv contains FTICR-MS data processed by CoreMS version 2. These data are merged by formula across instrument runs to enable cross-sample comparisons. Technical replicates are merged by retaining peaks present in 2 out of 3 replicates. 1000Soils_Metadata_Site_Mastersheet_v1.csv contains site information. Soil Hydraulics_corrected_02042025.xlsx contains soil hydraulics information. Readme File_v4.xlsx is the readme file. Please contact the MONet project (monet.emsl@pnnl.gov) or Emily Graham (emily.graham@pnnl.gov) with questions. The following file and all raw data are available upon request: icr_by_mass_for_single_sample_analysis_only.csv contains FTICR-MS data processed by CoreMS and is intended for usage in the calculation of biochemical transformations within samples only. These data are not acceptable for cross-sample comparison of masses because they are from multiple instrument runs. For more information, please see: https://www.emsl.pnnl.gov/monet and https://sc-data.emsl.pnnl.gov/monet Acknowledgment: Soil data were provided by the Molecular Observation Network (MONet) at the Environmental Molecular Sciences Laboratory (https://ror.org/04rc0xn13), a DOE Office of Science user facility sponsored by the Biological and Environmental Research program under Contract No. DE-AC05-76RL01830. The work (proposal: 10.46936/10.25585/60008970) conducted by the U.S. Department of Energy, Joint Genome Institute (https://ror.org/04xm1d337), a DOE Office of Science user facility, is supported by the Office of Science of the U.S. Department of Energy operated under Contract No. DE-AC02-05CH11231. The Molecular Observation Network (MONet) database is an open, FAIR, and publicly available compilation of the molecular and microstructural properties of soil. Data in the MONet open science database can be found at https://sc-data.emsl.pnnl.gov/.

biogeochemistry↗

DOE OSTI2022

Control system for multi-system coordination via a single reference governor

This report describes the improvements to the Feasible Actuator Range Modifier (FARM) component of the RAVEN-based HYBRID framework for analysis of Integrated Energy Systems (IES). FARM supports the HERON plug-in that solves the power dispatch problem. The solution involves economically optimal dispatches that satisfy the limits on production variables and corresponding rates of variation (explicit constraints) as well as the limits on the process variables tied to the service life of equipment (implicit constraints). The problem can be addressed as a two-stage process, i.e., HERON power dispatcher estimates a solution that meets explicit constraints (low-resolution physics), whereas FARM uses the simulation outcomes of HYBRID high-fidelity model to capture the system dynamic response and enforce implicit constraints (high-resolution physics). The initial version of the code (FARM-Alpha) was released by Argonne National Laboratory in January 2021 followed by FARM-Beta (January 2022) and FARM-Gamma (April 2022).

42 ENGINEERING↗

NASA NTRS1979

Theoretical regime diagrams for thermally driven flows in a beta-plane channel

It is noted that thermally driven flows in rotating laboratory containers with cylindrical geometry can be axially symmetric or wavelike depending on the experimental parameters. In anticipation that rotating fluid experiments might soon be done in spherical shell geometry, Barcilon's model has been extended to a beta-plane channel in order to gain a rough understanding of the effects of rotating spherical geometry. An incompressible fluid version of the Charney (1947) model of baroclinic instability, modified to include Ekman pumping at rigid horizontal boundaries is used. With this model, stability boundaries are mapped out for individual zonal wavenumbers in the parameter space used by Barcilon.

Geisler, J. E.↗

DOE OSTI2017

Mathematical Calibration of Modular Plastic Scintillators for Various Assay Applications - 17322

Plastic scintillators provide an inexpensive option to assay and characterize radioactive material. Due to the low cost it is generally possible to an array of large numbers of plastic scintillators to achieve high measurement efficiencies. The beta only thin plastic scintillators used in the Argos contamination monitors provide a convenient and reliable scintillator package that can be grouped together to form an assay system. Mathematical calibrations, using MCNP, have been produced for this detector that allow for rapid construction of various custom measurement geometries. The calibrations were constructed by comparing a series of measurements made with a number of beta and beta/gamma emitting nuclides. Characterization of the beta scintillators utilized beta emitting nuclides that included spectra from low average energy, e.g. C-14, to relatively high average energy, e.g. Sr/Y-90. In order to perform the calibration, custom versions of the standard Argos scintillators were produced that provide an MCA output for spectroscopic investigation. The spectra were then compared to detailed MCNP models in an iterative process to energy calibrate and efficiency calibrate each detector type. The validated models and energy calibrations were then tested against a number of volumetric geometries to confirm that the model would translate well to any other geometry. These validated models can then be used to rapidly construct custom measurement geometries for material measurement and screening. Two examples of measurement applications include a beta screening system for dirt on a conveyor belt and a flow through beta liquid assay system. The mathematical calibration process, validation results, and a number of application examples are discussed. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2011

Asymmetric DNA recognition by the OkrAI endonuclease, an isoschizomer of BamHI

Restriction enzymes share little or no sequence homology with the exception of isoschizomers, or enzymes that recognize and cleave the same DNA sequence. We present here the structure of a BamHI isoschizomer, OkrAI, bound to the same DNA sequence (TATGGATCCATA) as that cocrystallized with BamHI. We show that OkrAI is a more minimal version of BamHI, lacking not only the N- and C-terminal helices but also an internal 310 helix and containing {beta}-strands that are shorter than those in BamHI. Despite these structural differences, OkrAI recognizes the DNA in a remarkably similar manner to BamHI, including asymmetric contacts via C-terminal 'arms' that appear to 'compete' for the minor groove. However, the arms are shorter than in BamHI. We observe similar DNA-binding affinities between OkrAI and BamHI but OkrAI has higher star activity (at 37 C) compared to BamHI. Together, the OkrAI and BamHI structures offer a rare opportunity to compare two restriction enzymes that work on exactly the same DNA substrate.

59 BASIC BIOLOGICAL SCIENCES↗