SEARCH · Engineering Papers

Results for “Distributed Software Development”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,009 records · Page 56

All sources NASA NTRS DOE OSTI

DOE OSTI2025

Establishing model credibility for process-microstructure-property relationships in additive manufacturing using exascale computing

Additive Manufacturing (AM) of alloys holds significant promise as a disruptive technology in various industries, yet its adoption is often hindered by challenges in achieving consistent part quality. These issues are primarily due to the complex process-microstructure-property (PSP) relationships inherent to AM. Computational models can greatly aid in understanding these relationships, but their widespread impact and adoption has been limited by a lack of validated, open-source, and computationally efficient PSP modeling frameworks and hardware limitations. Here, this study leverages the ExaAM software suite and data from the AMBench-2018 series of laser powder bed fusion (LPBF) benchmark experiments to perform a comprehensive model assessment, including verification, validation, sensitivity analysis, and uncertainty quantification. The RADICAL-EnTK workflow manager was used to perform an ensemble of heat transport, solidification, and mechanical response simulations on the exascale computer Frontier, considering uncertainties in critical model inputs such as laser spot size and nucleation parameters, and consisting of 125 explicit grain structure simulations and 7875 crystal plasticity simulations. For a selected location within the Inconel 625 AMBench-2018 test artifact, sensitivity analysis and uncertainty quantification were performed using the predicted distributions of grain structure and mechanical properties. Qualitative agreement was found between the predicted grain size and texture and the observed AMBench-2018 microstructure, the mean predicted yield stress was within 5% of the experimental measurement mean, and the mean predicted engineering stress at 5% strain was within 10% of the experimental measurement mean. The insights gained from development and validation of the ExaAM PSP modeling framework will help guide future directions for enhancing the credibility and reliability of PSP models in AM, thereby accelerating the adoption of AM technologies in various industries.

Additive manufacturing↗

DOE OSTI2016

Recent Progress on the Stochastic Objective Decision Aide (SODA) Application

Idaho State University, in collaboration with Idaho National Laboratory, is engaged in development of a simple to use software application that utilizes stochastic techniques for the calculation of radiation doses associated with hypothetical radioactive material releases. This work is being performed through a grant from the U.S. Department of Energy (DOE) Nuclear Safety Research and Development (NSR and D) Program. Initial progress on the application was reported previously. Recent additions to the application are reported here. The Stochastic Objective Decision Aide (SODA) provides an easy to use software application to help decision makers support their judgment about the need or lack of need for safety structures, systems, and components. SODA is not intended to replace traditional design basis accident dose calculation methodology, nor is it intended to replace existing software used to perform formal dose consequence calculations. Rather, SODA is intended to supplement information obtained from existing codes to give a decision maker more information about an accident scenario. SODA also provides a simple method to perform parametric or sensitivity studies on individual input parameters. Non-reactor nuclear facilities operated under the approval authority of the US DOE use unmitigated hazard evaluations to determine if potential radiological doses associated with design basis events challenge dose evaluation guidelines. Unmitigated events that sufficiently challenge dose evaluation guidelines merit the selection of safety structures, systems, or components (SSCs) to prevent or mitigate the hazard. Dose consequence calculations traditionally involve use of the 'five-factor' formula: ST = MAR.DR.ARF.RF.LPF where ST is the source term (Bq), MAR is the total available material-at-risk (Bq), DR is the damage ratio (no units), ARF is the airborne release fraction (no units), RF is the respirable fraction (no units), and LPF is the leak path factor (no units). Potential radiation doses are then calculated using: CED = χ/Q.BR.ST.DCF (2) where CED is the committed effective dose (Sv), χ/Q is the plume dispersion (s/m{sup 3}), BR is the breathing rate (m{sup 3}/s), ST is the source term (Bq), and DCF is the dose conversion factor (Sv/Bq). Conservative single value input parameters are typically used to represent ARF, RF, LPF and BR. The traditional methodology, while conservative, can lead to skewed conclusions in the balance between cost and risk reduction resulting in over engineered systems with greater design, construction and operating costs. Rather than using a bounding single point value for each parameter in the dose consequence calculation, SODA uses distributions for some or all of the parameters. Each input parameter distribution is stochastically sampled and the resulting dose consequence calculation is repeated many times to develop a dose consequence distribution. The resulting distribution provides more information for the decision maker to rely upon when determining the need for safety SSCs. The SODA application was developed using MATLAB and it incorporates the use of Monte Carlo techniques as well as a graphical user interface (GUI). The application includes user selection of the governing distribution for parameters such as the MAR, DR, ARF, RF, LPF,χ/Q, BR, and DCF. While MATLAB was used for the development work, the application is distributed as a self-contained executable program. Features of the application include pull down menus with available distributions for the various parameters. The user has the option to plot the input parameter distribution that results from the random sampling process. The resulting dose consequence distribution is automatically analyzed to determine its similarity to well know distributions. This was done using the Bayesian Information Criterion method. If the resulting distribution is sufficiently similar to a well-known distribution, the application provides information about the distributions such as the mean value and other parameters. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Port Hope Area Initiative: Information Management for A Very Large Radiation Survey - 19567

The Port Hope Area Initiative (PHAI) represents the Government of Canada's commitment to the cleanup and safe, local, long-term management of historic low-level radioactive waste (LLRW) in two Southern Ontario municipalities - Port Hope. The PHAI is based on community-recommended solutions for the cleanup and safe long-term management of approximately 1.7 million cubic meters of LLRW. It is currently one of Canada's largest environmental remediation projects at a cost of over one billion dollars. The PHAI is being implemented by Canadian Nuclear Laboratories (CNL) on behalf of Atomic Energy of Canada Limited, a federal Crown corporation. The waste is the result of radium and uranium processing in Port Hope by the former federal crown corporation Eldorado Nuclear Limited between 1933 and 1988. The waste has been distributed in the Municipality of Port Hope through placement of contaminated materials (e.g. fill), reuse of contaminated objects (e.g. tailings use in concrete, steel posts, structural wood) and air-borne deposition. Signature contaminants of potential concern (COPCs) are Ra-226, Th-230, uranium and arsenic; however, there are an additional 17 COPCs that also need to be considered. A very large amount of information has been collected during the survey and effectively managing and analyzing this information is critical to the success for the property owners, CNL's implementation of the PHAI, and Arcadis. Data collected during the survey includes information pertaining to long-term interior radon gas measurements, interior gamma radiation surveys, contaminated objects and surfaces, exterior gamma radiation and subsurface investigations. exterior gamma radiation surveys. The information management (IM) is structured with SharePoint as a focal point supported by an EQuIS database, mobile data collection and GIS support. The IM process for this project is being advanced using recent software developments to assist with internal activities (e.g. QA) and interactions with CNL including notifications and scheduling and status of property completion. Different applications have been developed to help automate, visualize, actively track, and QA different processes using recent software developments by Microsoft. We have used SharePoint to organize and track our data. Power BI has been used to actively track and visualize our data from Interior gamma surveying to exterior drilling. The creation of dynamic/advanced visualizations in Power BI gathers data daily from our multiple sources and analyzes it for anomalous data and trends. Microsoft Flow syncs with Power BI and has been implemented to automate many processes including the QA of surveys and soil results for identification of LLRW. To tie everything together, our GIS and EQuIS systems are our primary data compilation source that makes our advanced analytics/visualization and automation/tracking our data possible. Specific examples will be discussed, as will challenges encountered during the continuing development of the IM system. The incorporation of software advancements to the existing IM system for Port Hope characterization has improved the quality of the surveys, the tracking of completion, meeting schedule requirements and providing the required data for tracking, report preparation and supporting remediation of contamination on the properties. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Correction of confidence intervals in excess relative risk models using Monte Carlo dosimetry systems with shared errors

Introduction: Measurement errors are ubiquitous in epidemiological studies, especially for doses arising from environmental and occupational exposures, which are difficult to assess. Correction methods for independent measurement errors, have been comprehensively described elsewhere, including regression calibration, simulation extrapolation (SIMEX), etc. However, when exposure estimates are constructed using complicated physical and biological models, uncertainties in the dosimetry system can become very complex. In such systems, uncertainties in some parameters may affect a large group of study participants simultaneously, and hence are “shared” as opposed to independent dosimetric uncertainties. Representing the structure of the uncertainty in the dosimetry by providing multiple realizations of possible dose has been described for several studies. The goal of this paper is to implement, and explore the properties of, a generalized estimating equation-based approach to shared uncertainties based on principles described in an earlier paper. Methods: The effects of shared and unshared dosimetry error on parameter estimates and confidence intervals in a generalized excess relative risk model are examined. A post-hoc correction method is implemented that constructs corrected confidence intervals based on an underlying variance structure described in an earlier paper. In this correction method it is assumed that the estimated slope parameter in a linear excess relative risk model is distributed as a mixture of normal and lognormal components. A simulation study of the behavior of this correction was developed based on multiple realizations provided by the Monte Carlo dosimetry system used for the plutonium exposures in the Mayak Worker Cohort and a risk model with close similarity to that used in analyses of lung cancer data in that cohort. Results: In the simulation study we found that shared dose errors severely degraded the coverage probabilities of confidence limits for the slope parameter in the linear excess relative risk model relating uncertain exposure to lung cancer risk. Using our correction method to adjust the confidence intervals provided much improved coverage probabilities for this parameter. A smaller amount of degradation in confidence interval coverage for other parameters (e.g. those in the baseline and dose modification terms) was noted, and the proposed correction method also improved coverage for these parameters as well. Discussion: Compared to other recently described methods our proposed correction method relies on relatively familiar software to fit dose response models. The basic modeling philosophy described here first uses existing Poisson regression methods to estimate parameters in the excess relative risk model; in this first stage mean dose (computed from the multiple realizations) is used as the independent variable in the regression. Once the model is fit we then correct (widen) the standard errors for all parameters using the proposed correction method. The simulation studies indicate that the methods described here are an important contribution to the available tools for dealing with shared measurement errors in complex risk analysis.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2012

Benchmarking of Software and Methods for Use in Transient Multidimensional Fuel Performance with Spatial Reactor Kinetics

The key physics involved in accurate prediction of reactor-fuel-element behavior includes neutron transport and thermal hydraulics. The thermal hydraulic feedback mechanism is primarily provided through cross sections to the neutron transport that are temperature and density dependent. Historically, this coupling was primarily seen only in reactor simulators, which are well suited to model the reactor core, giving only a coarse treatment to individual fuel pins as well as simple models for thermal distribution calculations. This poor resolution on the primary coupling mechanisms can lead to conservatisms that should be removed to improve fuel design and performance. This work seeks to address the resolution of space-time-dependent neutron kinetics with thermal feedback within the fuel pin scale in the multiphysics framework. The specific application of this new capability is transient performance analysis of space-time-dependent temperature distribution of fuel elements. The coupling between the neutron transport and the thermal feedback is extremely important in this highly coupled problem, primarily applicable to reactivity-initiated-accidents (RIAs) and loss-of-coolant-accidents (LOCAs). The capability developed will include the coupling of the time-dependent neutron transport with the time-dependent thermal diffusion capability. An improvement in resolution and coupling is proposed by developing neutron transport models that are internally coupled with high fidelity within fuel pin thermal calculations in a multiphysics framework. Good agreement is shown with benchmarks and problems from the literature of RIAs and LOCAs for the tools used.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

TU-AB-202-03: Prediction of PET Transfer Uncertainty by DIR Error Estimating Software, AUTODIRECT

Purpose: Deformable image registration (DIR) is a powerful tool, but DIR errors can adversely affect its clinical applications. To estimate voxel-specific DIR uncertainty, a software tool, called AUTODIRECT (automated DIR evaluation of confidence tool), has been developed and validated. This work tests the ability of this software to predict uncertainty for the transfer of standard uptake values (SUV) from positron-emission tomography (PET) with DIR. Methods: Virtual phantoms are used for this study. Each phantom has a planning computed tomography (CT) image and a diagnostic PET-CT image set. A deformation was digitally applied to the diagnostic CT to create the planning CT image and establish a known deformation between the images. One lung and three rectum patient datasets were employed to create the virtual phantoms. Both of these sites have difficult deformation scenarios associated with them, which can affect DIR accuracy (lung tissue sliding and changes in rectal filling). The virtual phantoms were created to simulate these scenarios by introducing discontinuities in the deformation field at the lung rectum border. The DIR algorithm from Plastimatch software was applied to these phantoms. The SUV mapping errors from the DIR were then compared to that predicted by AUTODIRECT. Results: The SUV error distributions closely followed the AUTODIRECT predicted error distribution for the 4 test cases. The minimum and maximum PET SUVs were produced from AUTODIRECT at 95% confidence interval before applying gradient-based SUV segmentation for each of these volumes. Notably, 93.5% of the target volume warped by the true deformation was included within the AUTODIRECT-predicted maximum SUV volume after the segmentation, while 78.9% of the target volume was within the target volume warped by Plastimatch. Conclusion: The AUTODIRECT framework is able to predict PET transfer uncertainty caused by DIR, which enables an understanding of the associated target volume uncertainty.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2012

Award ER25844: Minimizing System Noise Effects for Extreme-Scale Scientific Simulation Through Function Delegation

In software running on distributed computing clusters, time spent on communication between nodes in the cluster can be a significant portion of the overall computation time; background operating system tasks and other computational noise on the nodes of the system can have a significant impact on the amount of time this communication takes, especially on large systems. The research completed in this period has improved understanding of when such noise will have a significant impact. Specifically, it was demonstrated that not just noise on the nodes, but also noise on the network between nodes can have a significant impact on computation time. It was also demonstrated that noise patterns matter more than noise intensity: very regular noise can cause less disruption than lighter (on average) but less regular noise. It was also demonstrated that the effect of noise is more prominent as the speed of the network between nodes is increased. Furthermore, a tracing tool, Netgauge, was improved via our work, and a system simulator, LogGOPSim, was developed; they can be used by application developers to improve performance of their program and by system designers to mitigate the effects of noise by adjusting the noise characteristics of the operating system. Both have been made freely available as open source programs. In the course of developing these tools, we demonstrated weaknesses in existing methodologies for modeling communication, and we introduced a more detailed model, LogGOPS, for simulating systems. Not only were the deleterious effects of noise explored but we have also offered solutions. Our studies of simulations of system noise have led to specific recommendations on tuning systems to mitigate noise. We have also improved existing approaches to mitigating noise. Non-blocking collective communication avoids the effects of noise by letting communication continue simultaneously with computation (thus being non-blocking), so that the delays in communication introduced by noise have a smaller impact on overall computation time. Potentially, noise can be reduced much further by offloading communication tasks to a separate processing element than the operating system is using. We have improved our library LibNBC, which provides an implementation of non-blocking collectives, via this work. During this research, our proposal to include non-blocking collectives (which used LibNBC as a reference implementation) in the upcoming MPI-3 standard was accepted. As MPI is a ubiquitous and important standard for communication in parallel computing, this demonstrates a certain acceptance of the practicality and desirability of non-blocking collectives. Now that non-blocking collectives are a part of the standard we can expect to see optimized platform-specific implementations of non-blocking collectives. Also as part of this work we have also developed a language GOAL (Global Operation Assembly Language) that can be used as a starting point for defining languages to express optimized communication algorithms.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Water Security Toolkit User Manual Version 1.2.

The Water Security Toolkit (WST) is a suite of open source software tools that can be used by water utilities to create response strategies to reduce the impact of contamination in a water distribution network . WST includes hydraulic and water quality modeling software , optimizati on methodologies , and visualization tools to identify: (1) sensor locations to detect contamination, (2) locations in the network in which the contamination was introduced, (3) hydrants to remove contaminated water from the distribution system, (4) locations in the network to inject decontamination agents to inactivate, remove, or destroy contaminants, (5) locations in the network to take grab sample s to help identify the source of contamination and (6) valves to close in order to isolate contaminate d areas of the network. This user manual describes the different components of WST , along w ith examples and case studies. License Notice The Water Security Toolkit (WST) v.1.2 Copyright c 2012 Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000, there is a non-exclusive license for use of this work by or on behalf of the U.S. government. This software is distributed under the Revised BSD License (see below). In addition, WST leverages a variety of third-party software packages, which have separate licensing policies: Acro Revised BSD License argparse Python Software Foundation License Boost Boost Software License Coopr Revised BSD License Coverage BSD License Distribute Python Software Foundation License / Zope Public License EPANET Public Domain EPANET-ERD Revised BSD License EPANET-MSX GNU Lesser General Public License (LGPL) v.3 gcovr Revised BSD License GRASP AT&T Commercial License for noncommercial use; includes randomsample and sideconstraints executable files LZMA SDK Public Domain nose GNU Lesser General Public License (LGPL) v.2.1 ordereddict MIT License pip MIT License PLY BSD License PyEPANET Revised BSD License Pyro MIT License PyUtilib Revised BSD License PyYAML MIT License runpy2 Python Software Foundation License setuptools Python Software Foundation License / Zope Public License six MIT License TinyXML zlib License unittest2 BSD License Utilib Revised BSD License virtualenv MIT License Vol Common Public License vpykit Revised BSD License Additionally, some precompiled WST binary distributions might bundle other third-party executables files: Coliny Revised BSD License (part of Acro project) Dakota GNU Lesser General Public License (LGPL) v.2.1 PICO Revised BSD License (part of Acro project) i Revised BSD License Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of Sandia National Laboratories nor Sandia Corporation nor the names of its con- tributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IM- PLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUD- ING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ii Acknowledgements This work was supported by the U.S. Environmental Protection Agency through its Office of Research and Development (Interagency Agreement # DW8992192801). The material in this document has been subject to technical and policy review by the U.S. EPA, and approved for publication. The views expressed by individual authors, however, are their own, and do not necessarily reflect those of the U.S. Environmental Protection Agency. Mention of trade names, products, or services does not convey official U.S. EPA approval, endorsement, or recommendation. The Water Security Toolkit is an extension of the Threat Ensemble Vulnerability Assessment-Sensor Place- ment Optimization Tool (TEVA-SPOT), which was also developed with funding from the U.S. Environ- mental Protection Agency through its Office of Research and Development (Interagency Agreement # DW8992192801). The authors acknowledge the following individuals for their contributions to the devel- opment of TEVA-SPOT: Jonathan Berry (Sandia National Laboratories), Erik Boman (Sandia National Laboratories), Lee Ann Riesen (Sandia National Laboratories), James Uber (University of Cincinnati), and Jean-Paul Watson (Sandia National Laboratories). iii Acronyms ATUS American Time-Use Survey BLAS Basic linear algebra sub-routines CFU Colony-forming unit CVAR Conditional value at risk CWS Contamination warning system EA Evolutionary algorithm EDS Event detection system EPA U.S. Environmental Protection Agency EC Extent of Contamination ERD EPANET results database file GLPK GNU Linear Programming Kit GRASP Greedy randomized adaptive sampling process HEX Hexadecimal HTML HyperText markup language INP EPANET input file LP Linear program MC Mass consumed MILP Mixed integer linear program MIP Mixed integer program MSX Multi-species extension for EPANET NFD Number of failed detections NS Number of sensors NZD Non-zero demand PD Population dosed PE Population exposed PK Population killed TAI Threat assessment input file TCE Tailed-conditioned expectation TD Time to detection TEC Timed extent of contamination TEVA Threat ensemble vulnerability assessment TSB Tryptic soy broth TSG Threat scenario generation file TSI Threat simulation input file VAR Value at risk VC Volume consumed WST Water Security Toolkit YML YAML configuration file format for WST iv Symbols Notation Definition Example { , } set brackets { 1,2,3 } means a set containing the values 1,2, and 3. [?] is an element of s [?] S means that s is an element of the set S . [?] for all s = 1 [?] s [?] S means that the statement s = 1 is true for all s in set S . P summation P n i =1 s i means s 1 + s 2 + * * * + s n . \ set minus S \ T means the set that contains all those elements of S that are not in set T . %7C given %7C is used to define conditional probability. P ( s %7C t ) means the prob- ability of s occurring given that t occurs. %7C ... %7C cardinality Cardinality of a set is the number of elements of the set. If set S = { 2,4,6 } , then %7C S %7C = 3. v

Klise, Katherine A.↗

DOE OSTI2021

Convolutional Neural Networks for the CHIPS Neutrino Detector R&D Project.

The CHerenkov detectors In mine PitS (Chips) neutrino detector R&D project aims to develop novel strategies and technologies for very large yet ‘cheap as chips’ water Cherenkov neutrino detectors. Via deployment in a body of water, use of commercially available components, and instrumentation coverage optimisation for the study of exclusively accelerator beam neutrinos, Chips will enable megaton scale detectors to become a reality at the cost of $200k-$300k per kt of sensitive mass. During the summer of 2019 a prototype Chips detector, Chips-5, was deployed into the Wentworth 2W disused mine pit in northern Minnesota, 7 mrad off the NuMI beam axis. A novel data acquisition system was introduced using cheap single-board computers and open-source software. This work presents a novel approach to water Cherenkov neutrino detector event reconstruction and classification. Three forms of a Convolutional Neural Network, a type of deep learning algorithm, have been trained to reject cosmic muon events, classify beam events, and estimate neutrino energies, all using only the raw detector event as input. When evaluated on the expected distribution of Chips-5 events, this new approach is shown to be robust and explainable as well as providing a significant performance increase over the standard likelihood-based reconstruction and simple neural network classification. Promisingly, the performance presented here is comparable to the more complex (and expensive) neutrino oscillation experiments within the field.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Scalable Truck Charging Demand Simulation for Cost-Optimized Infrastructure Planning

This project developed a scalable, high-resolution model to simulate medium- and heavy-duty (MHD) electric truck charging demand and assess its impact on grid infrastructure. Using generative modeling, simulation, and cost optimization, the project delivered an end-to-end software pipeline and a library of 96 real-world scenarios for the Dallas–Houston megaregion. We demonstrated a modular architecture for transportation and grid modeling, implemented cost-optimized infrastructure planning methods, and quantified grid capital, operational, and environmental costs across a wide range of truck electrification scenarios. The results have been adopted by major utility stakeholders and contributed to regional planning efforts.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2012

Benchmarking of software and methods for use in transient multidimensional fuel performance with spatial reactor kinetics

The key physics involved in accurate prediction of reactor-fuel-element behavior includes neutron transport and thermal hydraulics. The thermal hydraulic feedback mechanism is primarily provided through cross sections to the neutron transport that are temperature and density dependent. Historically, this coupling was primarily seen only in reactor simulators, which are well suited to model the reactor core, giving only a coarse treatment to individual fuel pins as well as simple models for thermal distribution calculations. This poor resolution on the primary coupling mechanisms can lead to conservatisms that should be removed to improve fuel design and performance. This work seeks to address the resolution of space-time-dependent neutron kinetics with thermal feedback within the fuel pin scale in the multi-physics framework. The specific application of this new capability is transient performance analysis of space-time-dependent temperature distribution of fuel elements. The coupling between the neutron transport and the thermal feedback is extremely important in this highly coupled problem, primarily applicable to reactivity-initiated- accidents (RIAs) and loss-of-coolant-accidents (LOCAs). The capability developed will include the coupling of the time-dependent neutron transport with the time-dependent thermal diffusion capability. An improvement in resolution and coupling is proposed by developing neutron transport models that are internally coupled with high fidelity within fuel pin thermal calculations in a multi-physics framework. Good agreement is shown with benchmarks and problems from the literature of RIAs and LOCAs for the tools used. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

Design and Development of an Integrated Workstation Automation Hub

Miscellaneous Electronic Loads (MELs) account for one third of all electricity consumption in U.S. commercial buildings, and are drivers for a significant energy use in India. Many of the MEL-specific plug-load devices are concentrated at workstations in offices. The use of intelligence, and integrated controls and communications at the workstation for an Office Automation Hub – offers the opportunity to improve both energy efficiency and occupant comfort, along with services for Smart Grid operations. Software and hardware solutions are available from a wide array of vendors for the different components, but an integrated system with interoperable communications is yet to be developed and deployed. In this study, we propose system- and component-level specifications for the Office Automation Hub, their functions, and a prioritized list for the design of a proof-of-concept system. Leveraging the strength of both the U.S. and India technology sectors, this specification serves as a guide for researchers and industry in both countries to support the development, testing, and evaluation of a prototype product. Further evaluation of such integrated technologies for performance and cost is necessary to identify the potential to reduce energy consumptions in MELs and to improve occupant comfort.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2019

Software Development: A Tool for Smart Integration of Solar Power (Final Report)

As part of its SunShot funded Grid Assessor work Kevala assembled a team with deep electricity market, solar, software and product expertise to address a significant problem - reducing the risk of investing in solar by determining the inherent value of solar electricity based on the location where it is produced. Kevala’s Grid Assessor product is now in the market transforming the way solar assets are proposed, assessed, and financed, resulting in lower capital costs, the opening of new markets, and the streamlining of siting in the utility scale portion of the solar industry. Grid assessor accomplishes this by using detailed electricity infrastructure data, pricing information, GIS mapping, and proprietary algorithms to lower financial risk by providing transparency into the current and future value of projects based on their location.

14 SOLAR ENERGY↗

DOE OSTI2022

Development of an Enhanced Radiation Physics Toolset for Modeling Spectral and Imaging Signatures in the Warm Dense Matter Experiments

Radiative and atomic processes in plasmas play a critical role in a wide variety of high energy density laboratory plasma (HEDLP) experiments. The emission, absorption, and transport of radiation can strongly affect the overall energetics and evolution of such plasmas. In addition, radiation-based diagnostics – including imaging, spectroscopy, and absolute flux measurements – are widely used to determine key features of HEDLPs. To advance our understanding of HEDLP science, it is vital to have high-fidelity computational physics tools that have well-tested radiation physics modeling, and that are readily accessible to researchers in the HEDLP community. Simulations play an extremely important role for planning and designing the experiments, as well as for post-experiment data analysis. Prism Computational Sciences develops software that is used by National Laboratories and universities (including five members of LaserNetUS network). Prominent examples of such research efforts include z-pinch and short-pulse laser experiments designed to study the basic physics of photoionized plasmas and photoionization fronts, as well as their application to astrophysical plasmas. The main effort was dedicated to the development of non-equilibrium equation-of-state (EOS) models within the HELIOS-CR code, a hydrodynamics code with inline collisional-radiative atomic kinetics. Gas cell experiments on Z and Omega demonstrated the importance of non-equilibrium effects on atomic kinetics in photoionized plasmas. Recent proof-of-principle experiments on Omega EP confirmed the advantages of using a short-pulse laser to create an intense radiation drive, leading to additional experiments being proposed. Photoionization front experiments at LLE also emphasizes the importance of radiation and atomic physics. In both studies, HELIOS-CR simulations played a crucial role in computing non-equilibrium opacities and ionization distributions. A newly developed non-LTE EOS model will help addressing possible non-equilibrium effects, on for example specific heat, and their influence in plasma evolution. Prism also implemented support for open-source atomic data generated by the Flexible Atomic Code. This allows researchers to generate custom atomic tables and use them within the complex framework of simulation tools developed by Prism. The ability to use open-source atomic data would be extremely valuable for hydrodynamics and spectroscopic simulations that include high-Z materials, e.g., picosecond x-ray pulse generation experiments. Support for new atomic structures was fully implemented, and the data can be used by all simulation tools developed at Prism: radiation-hydrodynamics, imaging and spectroscopy, EOS and opacity. The development resulted in a significant fidelity enhancement to the simulations tools developed by Prism that are currently used in other cutting-edge experiments including: opacity measurement experiments performed to both understand the basic radiative and atomic properties of plasmas as well as provide data for more accurately modeling the internal structure of the Sun and other stars, high-intensity short-pulse laser experiments performed to develop short-wavelength light sources for use as backlighters and to investigate fast ignition concepts for inertial fusion energy; capsule implosion experiments designed to develop inertial fusion as an energy source, etc.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

A spark‐based big data analysis framework for real‐time sentiment prediction on streaming data

Summary There are many data sources that produce large volumes of data. The Big Data nature requires new distributed processing approaches to extract the valuable information. Real‐time sentiment analysis is one of the most demanding research areas that requires powerful Big Data analytics tools such as Spark. Prior literature survey work has shown that, though there are many conventional sentiment analysis researches, there are only few works realizing sentiment analysis in real time. One major point that affects the quality of real‐time sentiment analysis is the confidence of the generated data. In more clear terms, it is a valuable research question to determine whether the owner that generates sentiment is genuine or not. Since data generated by fake personalities may decrease accuracy of the outcome, a smart/intelligent service that can identify the source of data is one of the key points in the analysis. In this context, we include a fake account detection service to the proposed framework. Both sentiment analysis and fake account detection systems are trained and tested using Naïve Bayes model from Apache Spark's machine learning library. The developed system consists of four integrated software components, ie, (i) machine learning and streaming service for sentiment prediction, (ii) a Twitter streaming service to retrieve tweets, (iii) a Twitter fake account detection service to assess the owner of the retrieved tweet, and (iv) a real‐time reporting and dashboard component to visualize the results of sentiment analysis. The sentiment classification performances of the system for offline and real‐time modes are 86.77% and 80.93%, respectively.

Kılınç, Deniz↗

DOE OSTI2020

An ERCOT test system for market design studies

An open source test system is developed that permits the dynamic modeling of centrally-managed wholesale power markets operating over highvoltage transmission grids. In default mode, the test system models basic operations in the Electric Reliability Council of Texas (ERCOT): namely, centrally-managed day-ahead and real-time markets operating over successive days, with congestion handled by locational marginal pricing. These basic operational features characterize all seven U.S. energy regions organized as centrally-managed wholesale power markets. Modeled participants include dispatchable generators, load-serving entities, and non-dispatchable generation such as unrmed wind and solar power. Users can congure a broad variety of parameters to study basic market and grid features under alternative system conditions. Users can also easily extend the test system's Java/Python software classes to study modied or newly envisioned market and grid features. Finally, the test system is integrated with a high-level simulation framework that permits it to function as a software component within larger systems, such as multi-country systems or integrated transmission and distribution systems. Finally, detailed test cases with 8-bus and 200-bus transmission grids are reported to illustrate these test system capabilities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2016

Testing contamination source identification methods for water distribution networks

In the event of contamination in a water distribution network (WDN), source identification (SI) methods that analyze sensor data can be used to identify the source location(s). Knowledge of the source location and characteristics are important to inform contamination control and cleanup operations. Various SI strategies that have been developed by researchers differ in their underlying assumptions and solution techniques. The following manuscript presents a systematic procedure for testing and evaluating SI methods. The performance of these SI methods is affected by various factors including the size of WDN model, measurement error, modeling error, time and number of contaminant injections, and time and number of measurements. This paper includes test cases that vary these factors and evaluates three SI methods on the basis of accuracy and specificity. The tests are used to review and compare these different SI methods, highlighting their strengths in handling various identification scenarios. These SI methods and a testing framework that includes the test cases and analysis tools presented in this paper have been integrated into EPA’s Water Security Toolkit (WST), a suite of software tools to help researchers and others in the water industry evaluate and plan various response strategies in case of a contamination incident. Lastly, a set of recommendations are made for users to consider when working with different categories of SI methods.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Synthetic Biology PacBio/JAWS QC Analysis (PBJ) v3.0

This software was designed as a sequence validation tool for the assembly of synthetic constructs. It analyzes FASTQ files against a list of reference sequences, combining the results from eight sequencing libraries to generate a summary, and the files needed to view the results in the Integrative Genomics Viewer (IGV) application for manual verification. This was developed for FASTQ files generated by PacBio sequencing, but could be used on any FASTQ files that do not have paired end reads. It can be used to analyze one - eight libraries at a time, and assumes that each construct sequence in the reference will be in each pool, however, this is not a requirement. This is used to identify which libraries of pooled sequences contains a perfect match, or fixable match to the reference file. This pipeline uses many freely available open source libraries, the value added is that in our application the steps of the pipeline are defined in Workflow Description Language (WDL) and run through the Cromwell workflow engine in Docker containers, for easy distribution and set up, as well as the user friendly html summary that is generated.

Simirenko, Lisa↗