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At least 1,693 records · Page 94

GDSA - Modeling and Integration – ORNL: PFLOTRAN modeling

This report summarizes work done at Oak Ridge National Laboratory (ORNL) related to post-closure criticality consequence analysis of dual-purpose canister (DPC) direct disposal in unsaturated alluvium. PFLOTRAN software was used to model the behavior of a breached DPC with low water infiltration rates and unsaturated conditions in alluvial deposits such that a low-power criticality event occurs with a focus on thermal hydrological constraints on criticality timing and power output. This summary describes initial exploration of those thermal hydrological processes and of the long-term average power output from a criticality event that could be sustained without driving water out of the DPC package and thereby terminating the criticality event. The objectives are (1) to identify, for different groundwater infiltration rates, the time at which the DPC fills with water sufficiently to potentially initiate criticality; (2) to bound the power output that could be produced by a criticality event that would thermally drive water out of the package at various percolation rates; and (3) provide an estimate of how the size of a package breach affects the water infiltration and therefore the possibility timing of criticality.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

FutureTense

Protective vaccines and reliable diagnostics are essential tools for controlling viral diseases. However, the efficacy of these tools can be diminished by mutations in viral genomes. The delay between the emergence of new viral strains and the redesign of vaccines and diagnostics allows for continued viral transmission. Is it possible to address this challenge by computationally predicting viral genome sequence evolution? Can we “future-proof” vaccines and diagnostics by targeting both current and anticipated future sequence variants? While predicting viral evolution is still an unsolved, “grand challenge” problem in biology, the large, and rapidly growing, number of SARS-CoV-2 genome sequences provide an opportunity to quantify the ability of machine learning to predict viral genome sequence evolution. Towards this end, we have developed a simple computational model for predicting viral evolution at the level of individual nucleotides. The key metric for quantifying the per-base, prediction accuracy for viral evolution is the Mann-Whitney U statistic (or, equivalently, the area under the receiver operator curve). Since the Mann-Whitney U statistic is not a differentiable function, existing deep leaning packages (like Pytorch and Keras/TensorFlow) are not useful, as they require that the accuracy metric/objective function be analytically differentiable with respect to the model parameters. To overcome this challenge, we have implemented custom software, “FutureTense”, that can train a machine learning model by maximizing the non-differentiable Mann-Whitney U statistic. This software trains a machine learning model by exploring along the direction of the discrete gradient of the Mann-Whitney U statistic in the model parameter space. Parallel computing and genome sequence-specific optimizations are used to accelerate model training. The resulting machine learning model learns the observed high C->U mutation rates in the SARS-CoV-2 genome (which are potentially induced by host defenses) and provides prediction accuracies that are significantly better than one would expect from random chance. While predicting viral evolution is still quite far from a solved problem, the surprising performance of this simple model gives hope that the accuracy of predicting viral genome evolution can be further increased by more sophisticated approaches.

Gans, Jason↗

SeeQ: A Programming Model for Portable Data-Driven Building Applications

This paper introduces SeeQ, a programming model and an abstraction framework that facilitates the development of portable data- driven building applications. Data-driven approaches can provide insights into building operations and guide decision-making to achieve operational objectives. Yet the configuration of such applications per building requires extensive effort and tacit knowledge. In SeeQ, we propose a portable programming model and build a software system that enables self-configuration and execution across diverse buildings. The configuration of each building is captured in a unified data model - in this paper, we work with the Brick ontology without loss of generality. SeeQ focuses on the distinction between the application logic and the configuration of an application against building-specific data inputs and systems. We test the proposed approach by configuring and deploying a diverse range of applications across five heterogeneous real-world buildings. The analysis shows the potential of SeeQ to significantly reduce the efforts associated with the delivery of building analytics.

analytics↗

POWER DATA PIPELINE

SF-25-081 Utility software for creating high-performance data pipelines to extract, load, and transform raw electric power systems measurements. For use with anomaly detection models training workflows. The software supports the project: Adaptive Cybersecurity for DER: A Game-Theoretic and Machine Learning approach for Real-Time Threat Detection and Mitigation

Plathottam, Silby Jose [Argonne National Laborator↗

Initial test results on state estimation on the SCOLE mast

Modal state estimation tests are performed on the SCOLE mast for the fixed Shuttle platform case. Kalman filter state estimation results from a five mode computer model of the SCOLE mast, developed from a finite element analysis, are compared with those state estimates obtained from laboratory tests. Two comparison runs are presented, one an excitation of the first two bending modes, another, an excitation of the first torsional mode of the mast. Results from both runs show poor agreement in modal estimation between the computer model simulations and the laboratory test data. At present, the reason(s) for this poor performance is unknown. Both the laboratory hardware and software and the computer model are being checked for possible sources of errors. Further computer simulations as well as laboratory testing will be performed.

Sparks, D., Jr.↗

Hypervelocity impact simulation for micrometeorite and debris shield design

A new capability has been developed for direct computer simulation of hypervelocity impacts on multi-plate orbital debris shields, for combinations of low shield thickness and wide shield spacing which place extreme demands on conventional Eulerian analysis techniques. The modeling methodology represents a novel approach to debris cloud dynamics simulation, a problem of long term interest in the design of space structures. Software implementation of the modeling methodology provides a new design tool for engineering analysis of proposed orbital debris protection systems.

Fahrenthold, Eric P.↗

Earth Global Reference Atmospheric Model (GRAM) Overview and Updates: DOLWG Meeting

What is Earth-GRAM (Global Reference Atmospheric Model): Provides monthly mean and standard deviation for any point in atmosphere - Monthly, Geographic, and Altitude Variation; Earth-GRAM is a C++ software package - Currently distributed as Earth-GRAM 2016; Atmospheric variables included: pressure, density, temperature, horizontal and vertical winds, speed of sound, and atmospheric constituents; Used by engineering community because of ability to create dispersions in atmosphere at a rapid runtime - Often embedded in trajectory simulation software; Not a forecast model; Does not readily capture localized atmospheric effects.

White, Patrick↗

Western Montana Ecological Forecasting: Modeling Habitat Suitability of Mustelid Species to Guide Detection Dog Surveys for Contaminants Monitoring, via Collected Scats in River Systems of Western Montana

Environmental contaminants are becoming increasingly prevalent in riverine ecosystems. The status of contaminants in western Montana’s relatively pristine river systems is largely unknown. Monitoring for heavy metals, brominated flame-retardants (BFRs), and pharmaceuticals is important due to their negative effects on ecosystems. Exposure to these contaminants can have significant endocrine, neurological, and reproductive effects. Contaminants easily travel up the food chain and bioaccumulate in apex predators. As predators with a largely aquatic diet, American mink (Mustela vison) and North American river otter (Lontra canadensis) serve as reliable indicator species of environmental health and the status of contaminants. Analysis of scat from these species is a noninvasive method to measure contaminant levels, and detection dogs from Working Dogs for Conservation (WD4C) have been used to locate these scat samples. To aid in the search of these samples, habitat suitability models were created for mink and otter for the years 2013-2020 and projected to 2040 using the random forest algorithm in the Software for Assisted Habitat Modeling (SAHM). Predictor variable data were acquired from Landsat 8 Operational Land Imager (OLI), Terra Moderate Resolution Imaging Spectroradiometer (MODIS), Global Precipitation Measurement Integrated Multi-satellite Retrievals for GPM (GPM IMERG), Shuttle Radar Topography Mission (SRTM), and Soil Moisture Active Passive (SMAP). Within these models, the most important variable for mink and otter habitat was distance to river. Suitable habitat also corresponded with emergent herbaceous land cover and deeper river locations. These habitat suitability models will inform sampling site section for further contaminant analysis.

Anna Winter↗

Rocketdyne/Westinghouse nuclear thermal rocket engine modeling

The topics are presented in viewgraph form and include the following: systems approach needed for nuclear thermal rocket (NTR) design optimization; generic NTR engine power balance codes; rocketdyne nuclear thermal system code; software capabilities; steady state model; NTR engine optimizer code-logic; reactor power calculation logic; sample multi-component configuration; NTR design code output; generic NTR code at Rocketdyne; Rocketdyne NTR model; and nuclear thermal rocket modeling directions.

Glass, James F.↗

Generating CAHV and CAHVOR Images with Shadows in ROAMS

Part of the Rover Analysis, Modeling and Simulation (ROAMS) software that synthesizes images of terrain has been augmented to make the images more realistic. [ROAMS was described in "Simulating Operation of a Planetary Rover" (NPO-30722), NASA Tech Briefs, Vol. 28, No. 9 (September 2004), page 52. ROAMS simulates the operation of a robotic vehicle (rover) exploring terrain on a remote planet.] The images are needed for modeling responses of rover cameras that provide sensory inputs for machine-vision-based algorithms for controlling the motion of the rover. The augmented image-synthesizing part of the ROAMS software supports terrain geometry and texture specifiable by the user, CAHV and CAHVOR camera models, and more-realistic shadowing (see figure). (The letters in "CAHV" represent vectors in a standard photogrammetric model of a pinhole camera. Letters O and R in "CAHVOR" represent vectors used to model distortions.) A contemplated future version of ROAMS would support the CAHVORE model, which represents more-general cameras, including those having fish-eye or other wide-field-of-view lenses. (Letter E in "CAHVORE" represents a vector used to model apparent motion of a camera entrance pupil.)

Madison, Richard↗

Machine Learning Based System for Automated Estimation of Crystal Unit Cell Parameters from X-ray Diffraction Powder Patterns (MLCell) v0.1

This software uses machine learning models to perform inference on X-ray diffraction powder patterns, output from a diffractometer, to estimate all 6 unit cell parameters of crystalline lattices. Novel aspects of this software originated from the incorporation of concepts from crystallography to an ML-based approach; The resulting method achieves new performance capabilities without significant loss of accuracy and with less computationally intensive models.

Oklejas, Vanessa↗

Research software engineering: Professionalization, roles, and identity

This report summarizes the results of a study of research software professionals based on 17 interviews conducted at U.S. national laboratories and academic institutions. The study focuses on understanding the emerging professional role of research software engineer (RSE) and examining how the history of software engineering might be relevant to the emergence of research software engineering as a professional movement. The report first uses interview data to identify several models of professional identity for research software professionals. These include dominance models in which a person strongly identifies with a single professional identity (such as RSE), and multiplicity models in which an individual sees an identity like RSE as just one facet of their overall professional role. Next, it identifies three types of work situations for software professionals at national laboratories, covering those who work in dedicated RSE organizations, those who play an integral role in large multiphysics code projects, and those who work in a more isolated capacity to provide software development support for less computationally intensive research projects. It then reviews some key ideas from the sociology of professions in the context of the software engineering profession, suggesting parallels between the current RSE professional movement and aspects of the history of software engineering. It concludes by suggesting some potential practical implications of these findings for the RSE movement and professional organizations.

97 MATHEMATICS AND COMPUTING↗

Earth Global Reference Atmospheric Model (Earth-GRAM) GRAM Virtual Meeting

What is Earth-GRAM? Provide monthly mean and standard deviation for any point in atmosphere; Monthly, Geographic, and Altitude Variation. Earth-GRAM is a C++ software package; Currently distributed as Earth-GRAM 2016. Atmospheric variables included: pressure, density, temperature, horizontal and vertical winds, speed of sound, and atmospheric constituents. Used by engineering community because of ability to create dispersions inatmosphere at a rapid runtime; Often embedded in trajectory simulation software. Not a forecast model. Does not readily capture localized atmospheric effects.

White, Patrick↗

How close are urban scale building simulations to measured data? Examining bias derived from building metadata in urban building energy modeling

Residential and commercial buildings in the United States accounted for 40% of total energy in 2020. Building energy modeling (BEM) is a useful tool that allows individuals, researchers, companies, or utilities to save energy by optimizing buildings through estimation of building technology savings and performance projection of building energy under various environmental conditions. Urban building energy modeling (UBEM) expands the scope beyond individual buildings to the buildings in a neighborhood, city, utility and more. Yet there is a knowledge gap in the literature as to how these models compare to measured data on an individual and aggregated basis. As UBEM data and methods continue to develop, it is important to consider the accuracy, bias, and limitations of the models. Here, nation-scale data and UBEM software suite named Automatic Building Energy Modeling (AutoBEM) was used to model 50,843 buildings in Chattanooga, Tennessee. The uncalibrated simulation results were compared to aggregated 15-minute electricity data for the year 2019 with visualizations highlighting sources of bias in building data and the AutoBEM framework while considering how they relate to other UBEM methods. Estimation of building type and year of constructions are found to be the major sources of bias. Accounting for the amount of conditioned area per building significantly improves the overall fit of the simulated energy use intensity. it was found that inherent variation in building energy use contributes to R 2 values between 0.008 and 0.095 across building types but slope values near 1 for the total number of buildings. This indicates the need for building aggregation for representative building energy modeling with data sources available at an urban scale while illustrating the need for additional individual building data and model improvement beyond the originally produced UBEM models for individual building analysis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Dispatch optimization of electric thermal energy storage within System Advisor Model

A stand-alone electric thermal energy storage (ETES) system converts low-value electricity into heat using resistance heating elements. During periods of high-value electricity, an ETES system uses a thermodynamic power cycle to convert stored thermal energy back to electricity. These dispatchable systems derive value from their ability to store energy when prices are low and generate electricity when prices are favorable, i.e., energy arbitrage. Consequently, dispatch optimization of system operations, through maximizing revenue subject to system constraints, is essential to evaluate the economic value of a particular system design. While stand-alone ETES systems offer potential advantages as dispatchable grid storage technologies, there is a lack of a neutral third-party, publicly available, open-source model to evaluate the performance, dispatch, and financial viability of these systems. To address this problem, we have developed a techno-economic model for stand-alone ETES systems, within National Renewable Energy Laboratory's (NREL's) System Advisor Model (SAM). We implement a mixed-integer linear program to determine an ETES optimal operating schedule that maximizes electricity sales less maintenance costs caused by operation and cycling given temporal-varying grid electricity prices. Our contributions include a mixed-integer linear program for energy arbitrage of an ETES system, an ETES performance model through a publicly-available software (i.e., SAM), and an exercise of our model through case studies that compare ETES operational strategies and annual financial metrics. With our dispatch optimization model, we were able to improve revenue by 20% compared to a myopic heuristic while reducing the operational cost of the ETES system through decreases in cycle starts, cycles per day, and heater starts.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Review of the Generic Grid-Forming Model Used by the System Operator in Chile

The objective in this project is to verify the applicability of using generic electro-magnetic transient domain models of GFM technology through a wide range of tests and system conditions proposed by subject matter experts of GFM technology through a wide range of tests and system conditions proposed by subject matter experts. For this study, we used the generic GFM electro-magnetic transient model available in the EMTP (Electromagnetic Transient Program) software library, and we assessed the model’s various GFM capabilities through 12 tests. In this report, we compare the performance of the model with that of an original equipment manufacturer (OEM) GFM model. We also share the key insights and lessons learned from this work.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A modernized PDL approach for Ada software development

The desire to integrate newly available, graphically-oriented Computed Aided Software Engineering (CASE) tools with existing software design approaches is changing the way Program Design Language (PDL) or Process Description Language is used for large system development. In the approach documented here, Software Engineers use graphics tools to model the problem and to describe high level software design in diagrams. An Ada-based PDL is used to document low level design. Some results are provided along with an analysis for each of three smaller General Electric (GE) Ada development projects that utilized variations on this approach. Finally some considerations are identified for larger scale implementation.

Usavage, Paul, Jr.↗