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DOE OSTI2024

Estimating soil thermal inertia profiles from the passive equilibration of a temperature probe: Supporting data and code

This dataset contains measurements of soil thermal properties and organic layer thickness at three field sites on the Seward Peninsula near Nome, Alaska, USA. Code is also provided for estimation of soil thermal properties from temperature data, including a forward heat transfer mode, a library of simulated temperature data, and an inversion scheme to retrieve thermal properties from temperature measurements (Lamb et al., 2025). This dataset and code is published in support of the manuscript “Estimating Soil Thermal Inertia Profiles from the Passive Equilibration of a Temperature Probe” by Lamb et al., 2025, in which an experimental thermal measurements technique is developed. The dataset contains measurements of soil thermal properties and organic layer thickness obtained with an industry standard thermal properties analyzer and direct observations, as well as data generated using the experimental technique to estimate thermal properties and soil structure from temperature observations. All data is reported in .csv format, and all code is written in Python 3.7 using standard packages. This research was performed as a part of the NGEE Arctic project, which aims to advance model predictions of arctic carbon cycle responses to a changing climate over the 21st Century.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Amazon windthrow disturbances are likely to increase with storm frequency under global warming: Data and Codes

This zipfile includes datasets and codes that were used to produce the results in the paper entitled Amazon windthrow disturbances are likely to increase with storm frequency under global warming. Datasets include: 1. Windthrow density across the entire Amazon - GIS shapefile format 2. Current ERA 5 mean afternoon convective available potential energy (CAPE) (1990-2019) - Remote Sensing TIFF format 3. Estimated future mean CAPE from 10 models in CMIP 6 (2070-2099) - Remote Sensing TIFF format 4. Python codes in jupyter notebook and processed datasets used to generate Fig.2a and Table 1 in the paper. You will need to use Jupyter Notebook and Python for accessing and reading the codes. Please contact Yanlei Feng (ylfeng@berkeley.edu) for any questions. Paper associated with this dataset: Feng, Y., Negrón-Juárez, R.I., Romps, D.M. and Chambers, J.Q., 2023. Amazon windthrow disturbances are likely to increase with storm frequency under global warming. Nature communications, 14(1), p.101.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

LANL CSSE L2: Case Study of In Situ Data Analysis in ASC Integrated Codes [Slides]

The massive, complex datasets generated by scientific simulations on next-generation computer architectures at extreme scale pose new challenges for data management and scientific understanding. A critical element in meeting these new challenges is in situ data analysis where information is reduced and analyzed as close to the point of generation as possible, for example, at run time or as the data stream to longer term storage. This milestone will demonstrate in situ data analysis in xRAGE, an ASC Eulerian Radiation Hydrodynamics code. We will work with the Eulerian Applications Project to identify target problems that will exercise physics of interest to the program, and we will work closely with users to maximize the achieved usability and productivity improvements. We will investigate enhancements to the in situ process that enable and improve techniques of data reduction and data triage in addition to improving in situ performance by using portable acceleration technology. We will report on their viability and performance in xRAGE or another ASC code. These products will provide ASC IC developers with reference codes and tools that will benefit DSW by advancing the technology for predictive science at extreme scales.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Evaluation and Testing of the ADVANTG Code on SNM Detection

Pacific Northwest National Laboratory (PNNL) has been tasked with evaluating the effectiveness of ORNL’s new hybrid transport code, ADVANTG, on scenarios of interest to our NA-22 sponsor, specifically of detection of diversion of special nuclear material (SNM). PNNL staff have determined that acquisition and installation of ADVANTG was relatively straightforward for a code in its phase of development, but probably not yet sufficient for mass distribution to the general user. PNNL staff also determined that with little effort, ADVANTG generated weight windows that typically worked for the problems and generated results consistent with MCNP. With slightly greater effort of choosing a finer mesh around detectors or sample reaction tally regions, the figure of merit (FOM) could be further improved in most cases. This does take some limited knowledge of deterministic transport methods. The FOM could also be increased by limiting the energy range for a tally to the energy region of greatest interest. It was then found that an MCNP run with the full energy range for the tally showed improved statistics in the region used for the ADVANTG run. The specific case of interest chosen by the sponsor is the CIPN project from Las Alamos National Laboratory (LANL), which is an active interrogation, non-destructive assay (NDA) technique to quantify the fissile content in a spent fuel assembly and is also sensitive to cases of material diversion. Unfortunately, weight windows for the CIPN problem cannot currently be properly generated with ADVANTG due to inadequate accommodations for source definition. ADVANTG requires that a fixed neutron source be defined within the problem and cannot account for neutron multiplication. As such, it is rendered useless in active interrogation scenarios. It is also interesting to note that this is a difficult problem to solve and that the automated weight windows generator in MCNP actually slowed down the problem. Therefore, PNNL had determined that there is not an effective tool available for speeding up MCNP for problems such as the CIPN scenario. With regard to the Benchmark scenarios, ADVANTG performed very well for most of the difficult, long-running, standard radiation detection scenarios. Specifically, run time speedups were observed for spatially large scenarios, or those having significant shielding or scattering geometries. ADVANTG performed on par with existing codes for moderate sized scenarios, or those with little to moderate shielding, or multiple paths to the detectors. ADVANTG ran slower than MCNP for very simply, spatially small cases with little to no shielding that run very quickly anyway. Lastly, ADVANTG could not solve problems that did not consist of fixed source to detector geometries. For example, it could not solve scenarios with multiple detectors or secondary particles, such as active interrogation, neutron induced gamma, or fission neutrons.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2013

PIV Uncertainty Methodologies for CFD Code Validation at the MIR Facility

Currently, computational fluid dynamics (CFD) is widely used in the nuclear thermal hydraulics field for design and safety analyses. To validate CFD codes, high quality multi dimensional flow field data are essential. The Matched Index of Refraction (MIR) Flow Facility at Idaho National Laboratory has a unique capability to contribute to the development of validated CFD codes through the use of Particle Image Velocimetry (PIV). The significance of the MIR facility is that it permits non intrusive velocity measurement techniques, such as PIV, through complex models without requiring probes and other instrumentation that disturb the flow. At the heart of any PIV calculation is the cross-correlation, which is used to estimate the displacement of particles in some small part of the image over the time span between two images. This image displacement is indicated by the location of the largest peak. In the MIR facility, uncertainty quantification is a challenging task due to the use of optical measurement techniques. Currently, this study is developing a reliable method to analyze uncertainty and sensitivity of the measured data and develop a computer code to automatically analyze the uncertainty/sensitivity of the measured data. The main objective of this study is to develop a well established uncertainty quantification method for the MIR Flow Facility, which consists of many complicated uncertainty factors. In this study, the uncertainty sources are resolved in depth by categorizing them into uncertainties from the MIR flow loop and PIV system (including particle motion, image distortion, and data processing). Then, each uncertainty source is mathematically modeled or adequately defined. Finally, this study will provide a method and procedure to quantify the experimental uncertainty in the MIR Flow Facility with sample test results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

A flexible method to calculate the distributions of discretization errors in operator-split codes with stochastic noise in problem data

This report investigates a technique to calculate the distributions of discretization errors for a model of advection-diffusion-reaction with stochastic noise in problem data. The focus is on operator-split discretization methods. The error is decomposed into components due to the splitting and due to the discretization within each component. We present a method to estimate the distributions of the total discretization error for a quantity of interest as well as the aforementioned error components. These computations require information about the propagation of uncertainty within and between code modules, for which purpose we use a flexible code framework for uncertainty quantification. Computational examples illustrate that in certain cases the distribution of numerical error can have a significant impact on the code output. Using information about the components of the numerical error, decisions can be made regarding discretization parameters to efficiently reduce the impact of numerical error on the distribution of model outputs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Reduced Fast Ion Transport Model For The Tokamak Transport Code TRANSP

Fast ion transport models presently implemented in the tokamak transport code TRANSP [R. J. Hawryluk, in Physics of Plasmas Close to Thermonuclear Conditions, CEC Brussels, 1, 19 (1980)] are not capturing important aspects of the physics associated with resonant transport caused by instabilities such as Toroidal Alfven Eigenmodes (TAEs). This work describes the implementation of a fast ion transport model consistent with the basic mechanisms of resonant mode-particle interaction. The model is formulated in terms of a probability distribution function for the particle's steps in phase space, which is consistent with the MonteCarlo approach used in TRANSP. The proposed model is based on the analysis of fast ion response to TAE modes through the ORBIT code [R. B. White et al., Phys. Fluids 27 , 2455 (1984)], but it can be generalized to higher frequency modes (e.g. Compressional and Global Alfven Eigenmodes) and to other numerical codes or theories.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2013

Building America Guidance for Identifying and Overcoming Code, Standard, and Rating Method Barriers

The U.S. Department of Energy’s (DOE) Building America program implemented a new Codes and Standards Innovation (CSI) Team in 2013. The Team’s mission is to assist Building America (BA) research teams and partners in identifying and resolving conflicts between Building America innovations and the various codes and standards that govern the construction of residences. A CSI Roadmap was completed in September, 2013. This guidance document was prepared using the information in the CSI Roadmap to provide BA research teams and partners with specific information and approaches to identifying and overcoming potential barriers to Building America (BA) innovations arising in and/or stemming from codes, standards, and rating methods. For more information on the BA CSI team, please email: CSITeam@pnnl.gov

Cole, Pamala C.↗

DOE OSTI2014

CENER/NREL Collaboration in Testing Facility and Code Development: Cooperative Research and Development Final Report, CRADA Number CRD-06-207

Under the funds-in CRADA agreement, NREL and CENER will collaborate in the areas of blade and drivetrain testing facility development and code development. The project shall include NREL assisting in the review and instruction necessary to assist in commissioning the new CENER blade test and drivetrain test facilities. In addition, training will be provided by allowing CENER testing staff to observe testing and operating procedures at the NREL blade test and drivetrain test facilities. CENER and NREL will exchange blade and drivetrain facility and equipment design and performance information. The project shall also include exchanging expertise in code development and data to validate numerous computational codes.

17 WIND ENERGY↗

DOE OSTI2014

Choreographer Pre-Testing Code Analysis and Operational Testing.

Choreographer is a "moving target defense system", designed to protect against attacks aimed at IP addresses without corresponding domain name system (DNS) lookups. It coordinates actions between a DNS server and a Network Address Translation (NAT) device to regularly change which publicly available IP addresses' traffic will be routed to the protected device versus routed to a honeypot. More details about how Choreographer operates can be found in Section 2: Introducing Choreographer. Operational considerations for the successful deployment of Choreographer can be found in Section 3. The Testing & Evaluation (T&E) for Choreographer involved 3 phases: Pre-testing, Code Analysis, and Operational Testing. Pre-testing, described in Section 4, involved installing and configuring an instance of Choreographer and verifying it would operate as expected for a simple use case. Our findings were that it was simple and straightforward to prepare a system for a Choreographer installation as well as configure Choreographer to work in a representative environment. Code Analysis, described in Section 5, consisted of running a static code analyzer (HP Fortify) and conducting dynamic analysis tests using the Valgrind instrumentation framework. Choreographer performed well, such that only a few errors that might possibly be problematic in a given operating situation were identified. Operational Testing, described in Section 6, involved operating Choreographer in a representative environment created through Emulytics TM . Depending upon the amount of server resources dedicated to Choreographer vis-á-vis the amount of client traffic handled, Choreographer had varying degrees of operational success. In an environment with a poorly resourced Choreographer server and as few as 50-100 clients, Choreographer failed to properly route traffic over half the time. Yet, with a well-resourced server, Choreographer handled over 1000 clients without missrouting. Choreographer demonstrated sensitivity to low-latency connections as well as high volumes of traffic. In addition, depending upon the frequency of new connection requests and the size of the address range that Choreographer has to work with, it is possible for all benefits of Choreographer to be ameliorated by its need to allow DNS servers rather than the end client to make DNS requests. Conclusions and Recommendations, listed in Section 7, address the need to understand the specific use case where Choreographer would be deployed to assess whether there would be problems resulting from the operational considerations described in Section 3 or performance concerns from the results of Operational Testing in Section 6. Deployed in an appropriate architecture with sufficiently light traffic volumes and a well-provisioned server, it is quite likely that Choreographer would perform satisfactorily. Thus, we recommend further detailed testing, to potentially include Red Team testing, at such time a specific use case is identified

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

An Overview of the XGAM Code and Related Software for Gamma-ray Analysis

The XGAM spectrum-fitting code and associated software were developed specifically to analyze the complex gamma-ray spectra that can result from neutron-induced reactions. The XGAM code is designed to fit a spectrum over the entire available gamma-ray energy range as a single entity, in contrast to the more traditional piecewise approaches. This global-fit philosophy enforces background continuity as well as consistency between local and global behavior throughout the spectrum, and in a natural way. This report presents XGAM and the suite of programs built around it with an emphasis on how they fit into an overall analysis methodology for complex gamma-ray data. An application to the analysis of time-dependent delayed gamma-ray yields from 235 U fission is shown in order to showcase the codes and how they interact.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2014

Analyses in Support of Risk-Informed Natural Gas Vehicle Maintenance Facility Codes and Standards: Phase I

Safety standards development for maintenance facilities of liquid and compressed gas fueled large-scale vehicles is required to ensure proper facility design and operation envelopes. Standard development organizations are utilizing risk-informed concepts to develop natural gas vehicle (NGV) codes and standards so that maintenance facilities meet acceptable risk levels. The present report summarizes Phase I work for existing NGV repair facility code requirements and highlights inconsistencies that need quantitative analysis into their effectiveness. A Hazardous and Operability study was performed to identify key scenarios of interest. Finally, scenario analyses were performed using detailed simulations and modeling to estimate the overpressure hazards from HAZOP defined scenarios. The results from Phase I will be used to identify significant risk contributors at NGV maintenance facilities, and are expected to form the basis for follow-on quantitative risk analysis work to address specific code requirements and identify effective accident prevention and mitigation strategies.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2016

Comprehensive Benchmark Suite for Simulation of Particle Laden Flows Using the Discrete Element Method with Performance Profiles from the Multiphase Flow with Interface eXchanges (MFiX) Code

Five benchmark problems are developed and simulated with the computational fluid dynamics and discrete element model code MFiX. The benchmark problems span dilute and dense regimes, consider statistically homogeneous and inhomogeneous (both clusters and bubbles) particle concentrations and a range of particle and fluid dynamic computational loads. Several variations of the benchmark problems are also discussed to extend the computational phase space to cover granular (particles only), bidisperse and heat transfer cases. A weak scaling analysis is performed for each benchmark problem and, in most cases, the scalability of the code appears reasonable up to approx. 103 cores. Profiling of the benchmark problems indicate that the most substantial computational time is being spent on particle-particle force calculations, drag force calculations and interpolating between discrete particle and continuum fields. Hardware performance analysis was also carried out showing significant Level 2 cache miss ratios and a rather low degree of vectorization. These results are intended to serve as a baseline for future developments to the code as well as a preliminary indicator of where to best focus performance optimizations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Explosive Formulation Code Naming SOP

The purpose of this SOP is to provide a procedure for giving individual HME formulations code names. A code name for an individual HME formulation consists of an explosive family code, given by the classified guide, followed by a dash, -, and a number. If the formulation requires preparation such as packing or aging, these add additional groups of symbols to the X-ray specimen name.

42 ENGINEERING↗

DOE OSTI2016

Mathematical Formulation used by MATLAB Code to Convert FTIR Interferograms to Calibrated Spectra

This report discusses the mathematical procedures used to convert raw interferograms from Fourier transform infrared (FTIR) sensors to calibrated spectra. The work discussed in this report was completed as part of the Helios project at Los Alamos National Laboratory. MATLAB code was developed to convert the raw interferograms to calibrated spectra. The report summarizes the developed MATLAB scripts and functions, along with a description of the mathematical methods used by the code. The first step in working with raw interferograms is to convert them to uncalibrated spectra by applying an apodization function to the raw data and then by performing a Fourier transform. The developed MATLAB code also addresses phase error correction by applying the Mertz method. This report provides documentation for the MATLAB scripts.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Simulation of IST Turbomachinery Power-Neutral Tests with the ANL Plant Dynamics Code

The validation of the Plant Dynamics Code (PDC) developed at Argonne National Laboratory (ANL) for the steady-state and transient analysis of supercritical carbon dioxide (sCO2) systems has been continued with new test data from the Naval Nuclear Laboratory (operated by Bechtel Marine Propulsion Corporation) Integrated System Test (IST). Although data from three runs were provided to ANL, only two of the data sets were analyzed and described in this report. The common feature of these tests is the power-neutral operation of the turbine-compressor shaft, where no external power through the alternator was provided during the tests. Instead, the shaft speed was allowed to change dictated by the power balance between the turbine, the compressor, and the power losses in the shaft. The new test data turned out to be important for code validation for several reasons. First, the power-neutral operation of the shaft allows validation of the shaft dynamics equations in asynchronous mode, when the shaft is disconnected from the grid. Second, the shaft speed control with the compressor recirculation (CR) valve not only allows for testing the code control logic itself, but it also serves as a good test for validation of both the compressor surge control and the turbine bypass control actions, since the effect of the CR action on the loop conditions is similar for both of these controls. Third, the varying compressor-inlet temperature change test allows validation of the transient response of the precooler, a shell-and-tube heat exchanger. The first transient simulation of the compressor-inlet temperature variation Test 64661 showed a much slower calculated response of the precooler in the calculations than the test data. Further investigation revealed an error in calculating the heat exchanger tube mass for the PDC dynamic equations that resulted in a slower change in the tube wall temperature than measured. The transient calculations for both tests were done in two steps. The first step was done in the same fashion as the FY15 IST analysis, where the CR valve position and the turbine-compressor shaft speed were specified through the PDC input based on the test values. On the second step, the turbine-compressor shaft dynamics equations were invoked by specifying that the shaft is disconnected from the grid. In addition, the CR valve control was used to control the shaft speed, based on the turbine bypass control logic already implemented in the PDC. For the shaft power balance, the friction (windage) loss is calculated based on the shaft balance at the steady-state conditions and is assumed to be scaled to the third power of shaft speed in the transient. Both the steady-state and transient simulations of both tests showed good agreement with the test data. The only significant difference was the turbine performance, which was not predicted as well as it was in the previous IST simulation, resulting in the prediction of a somewhat different flow split between the two turbines. This flow split difference is believed to be the result of not addressing the recent turbine modifications in the model. In addition, the full simulation of the turbine-compressor speed variation Test 65261-P with shaft speed control showed greater a difference with the test data later in the transient than the other test. Further analysis of the results revealed that this difference is most likely due to scaling the shaft windage losses only with the shaft speed and ignoring its dependency on the fluid density in the shaft cavity. Based on the results of steady state and transient calculations of the Tests 64661 and 65216-P, several areas of future improvements for the PDC simulation of the IST are identified.

42 ENGINEERING↗

DOE OSTI2017

RAZORBACK - A Research Reactor Transient Analysis Code Version 1.0 - Volume 3: Verification and Validation Report.

This report describes the work and results of the verification and validation (V&V) of the version 1.0 release of the Razorback code. Razorback is a computer code designed to simulate the operation of a research reactor (such as the Annular Core Research Reactor (ACRR)) by a coupled numerical solution of the point reactor kinetics equations, the energy conservation equation for fuel element heat transfer, the equation of motion for fuel element thermal expansion, and the mass, momentum, and energy conservation equations for the water cooling of the fuel elements. This V&V effort was intended to confirm that the code shows good agreement between simulation and actual ACRR operations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Modification of the SAS4A Safety Analysis Code for Integration with the ADAPT Discrete Dynamic Event Tree Framework.

It is difficult to assess the consequences of a transient in a sodium-cooled fast reactor (SFR) using traditional probabilistic risk assessment (PRA) methods, as numerous safety-related sys- tems have passive characteristics. Often there is significant dependence on the value of con- tinuous stochastic parameters rather than binary success/failure determinations. One form of dynamic PRA uses a system simulator to represent the progression of a transient, tracking events through time in a discrete dynamic event tree (DDET). In order to function in a DDET environment, a simulator must have characteristics that make it amenable to changing physical parameters midway through the analysis. The SAS4A SFR system analysis code did not have these characteristics as received. This report describes the code modifications made to allow dynamic operation as well as the linking to a Sandia DDET driver code. A test case is briefly described to demonstrate the utility of the changes.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗