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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.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Model-Based Systems Engineering Approach to Managing Mass Margin

When designing a flight system from concept through implementation, one of the fundamental systems engineering tasks ismanaging the mass margin and a mass equipment list (MEL) of the flight system. While generating a MEL and computing a mass margin is conceptually a trivial task, maintaining consistent and correct MELs and mass margins can be challenging due to the current practices of maintaining duplicate information in various forms, such as diagrams and tables, and in various media, such as files and emails. We have overcome this challenge through a model-based systems engineering (MBSE) approach within which we allow only a single-source-of-truth. In this paper we describe the modeling patternsused to capture the single-source-of-truth and the views that have been developed for the Europa Habitability Mission (EHM) project, a mission concept study, at the Jet Propulsion Laboratory (JPL).

cloud comu↗
DOE OSTI2021

Vadose and Saturated Zone Flow and Transport Model Package Report for the Active Trenches of the Low-Level Burial Grounds, Hanford Site, Washington

This model package report (MPR) documents the development of the integrated vadose and saturated zone flow and transport model developed for the performance assessment of Trenches 31 and 34 in the low-level burial grounds (LLBGs). This modeling capability is intended for use in addressing the analysis requirements outlined in DOE O 435.1, Chg 1, Radioactive Waste Management1. The overall objective of the modeling effort is to provide a basis for making informed disposal decisions pertinent to Trenches 31 and 34. The purpose of the MPR is to document the development of the three-dimensional numerical vadose zone and saturated flow and transport model test case and evaluate its adequacy to support the LLBG performance assessment. The purpose is not to present results for DOE 435.1 decision making. The use of the model to perform base case and sensitivity analysis for the LLBG performance assessment, including inputs and results, is documented separately in subsequent environmental calculation files. This report discusses the development and translation of the conceptual model for flow and contaminant transport into the LLBG performance assessment three-dimensional numerical flow and transport model evaluated using the Subsurface Transport Over Multiple Phases (STOMP©) simulator. The development of representative geologic framework is described along with the implementation of waste release models used to represent contaminant release from waste disposed in the trenches. The report also provides the technical basis for specific model parameters and boundary conditions, along with description of modeling assumptions. This MPR includes certain calculations that are necessary to demonstrate the soundness of the model. Results provided by the model include vadose zone and saturated zone flow fields, and estimates of the possible future concentration in groundwater of technetium-99 and iodine-129 as example test cases. As an evaluation of the test cases, the model estimates of current vadose conditions are compared to available and analogous field and laboratory data, and compared to the results from the original performance assessment model (WHC-EP-0645, Performance Assessment for the Disposal of Low-Level Waste in the 200 West Area Burial Grounds 2 ). The features, events, and processes applicable to vadose zone and saturated zone flow and transport model are identified, and representative initial estimates for various parameters are documented. Note that the parameter estimates presented in this MPR are for illustration purposes, and may or may not reflect values selected for eventual performance assessment. Several key topical discussions (i.e., basis for recharge estimates, basis for vadose zone modeling, basis for saturated zone model development, and calibration) are included, which serve as the groundwork for confidence building for the groundwater pathway modeling and results. Numerical simulation results based on an example test case are included to illustrate the use of the combined saturated-unsaturated model in performance assessment calculations. Sensitivity and uncertainty results are not included in this MPR. Those results will be included in future environmental calculation files. The inclusion of the trapezoidal trench geometry and construction details in the finite difference grid introduces some gross simplifications regarding the trench and liner systems. The model test case presented in this MPR includes the assumption that the trench liner system does not affect flow through or around the trenches after the liner system is assumed to fail. This MPR also includes results of other test cases that involve alternate assumptions about how to incorporate the hydraulic effects of the trenches into the vadose zone of the model. These alternate cases do not attempt to account for the presence of the liner system after its assumed failure either. None of these cases is considered to be the base case at this time. Analysis and alternate cases that attempt to account for the presence of the liner system in greater detail, and its effect on flow through and around it, are to be documented in subsequent environmental calculation files. Depending on the results of those analyses and alternate cases, the eventual base case may involve more detailed inclusion of the effects of the liner system hydraulics.

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

PDFDataExtractor: A Tool for Reading Scientific Text and Interpreting Metadata from the Typeset Literature in the Portable Document Format

The layout of portable document format (PDF) files is constant to any screen, and the metadata therein are latent, compared to mark-up languages such as HTML and XML. No semantic tags are usually provided, and a PDF file is not designed to be edited or its data interpreted by software. However, data held in PDF files need to be extracted in order to comply with opensource data requirements that are now government-regulated. In the chemical domain, related chemical and property data also need to be found, and their correlations need to be exploited to enable data science in areas such as data-driven materials discovery. Such relationships may be realized using text-mining software such as the “chemistry-aware” natural-language-processing tool, ChemDataExtractor; however, this tool has limited data-extraction capabilities from PDF files. This study presents the PDFDataExtractor tool, which can act as a plug-in to ChemDataExtractor. It outperforms other PDF-extraction tools for the chemical literature by coupling its functionalities to the chemical-named entityrecognition capabilities of ChemDataExtractor. The intrinsic PDF-reading abilities of ChemDataExtractor are much improved. The system features a template-based architecture. This enables semantic information to be extracted from the PDF files of scientific articles in order to reconstruct the logical structure of articles. While other existing PDF-extracting tools focus on quantity mining, this template-based system is more focused on quality mining on different layouts. PDFDataExtractor outputs information in JSON and plain text, including the metadata of a PDF file, such as paper title, authors, affiliation, email, abstract, keywords, journal, year, document object identifier (DOI), reference, and issue number. With a self-created evaluation article set, PDFDataExtractor achieved promising precision for all key assessed metadata areas of the document text.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Space Communications Emulation Facility

Establishing space communication between ground facilities and other satellites is a painstaking task that requires many precise calculations dealing with relay time, atmospheric conditions, and satellite positions, to name a few. The Space Communications Emulation Facility (SCEF) team here at NASA is developing a facility that will approximately emulate the conditions in space that impact space communication. The emulation facility is comprised of a 32 node distributed cluster of computers; each node representing a satellite or ground station. The objective of the satellites is to observe the topography of the Earth (water, vegetation, land, and ice) and relay this information back to the ground stations. Software originally designed by the University of Kansas, labeled the Emulation Manager, controls the interaction of the satellites and ground stations, as well as handling the recording of data. The Emulation Manager is installed on a Linux Operating System, employing both Java and C++ programming codes. The emulation scenarios are written in extensible Markup Language, XML. XML documents are designed to store, carry, and exchange data. With XML documents data can be exchanged between incompatible systems, which makes it ideal for this project because Linux, MAC and Windows Operating Systems are all used. Unfortunately, XML documents cannot display data like HTML documents. Therefore, the SCEF team uses XML Schema Definition (XSD) or just schema to describe the structure of an XML document. Schemas are very important because they have the capability to validate the correctness of data, define restrictions on data, define data formats, and convert data between different data types, among other things. At this time, in order for the Emulation Manager to open and run an XML emulation scenario file, the user must first establish a link between the schema file and the directory under which the XML scenario files are saved. This procedure takes place on the command line on the Linux Operating System. Once this link has been established the Emulation manager validates all the XML files in that directory against the schema file, before the actual scenario is run. Using some very sophisticated commercial software called the Satellite Tool Kit (STK) installed on the Linux box, the Emulation Manager is able to display the data and graphics generated by the execution of a XML emulation scenario file. The Emulation Manager software is written in JAVA programming code. Since the SCEF project is in the developmental stage, the source code for this type of software is being modified to better fit the requirements of the SCEF project. Some parameters for the emulation are hard coded, set at fixed values. Members of the SCEF team are altering the code to allow the user to choose the values of these hard coded parameters by inserting a toolbar onto the preexisting GUI.

Hill, Chante A.↗
DOE OSTI2019

Use of the ERD for administrative monitoring of Theta

Monitoring the state of an HPC cluster in a timely and accurate fashion is critical to most system administration functions. For many Cray users, the first step in monitoring is ingestion of log files. Unfortunately, log parsing is an inherently inefficient process, requiring multiple software components to read and write from files on disk. Cray's own utilities use a message bus, the Event Router Daemon (ERD), for a wide variety of purposes. At the Argonne Leadership Computing Facility (ALCF), we have begun to use this message bus for monitoring via a client library written in Go, allowing us to read in structured data directly from Cray's services and, in many instances, bypass log files entirely. In this paper, we will examine the implementation and utilization of this approach on our 4392 node XC40, Theta, as well as the overall benefits and drawbacks to using the ERD for real-time monitoring.

Cray↗
DOE OSTI2024

Transportation and System Analysis Collaborations in Support of a Federal Consolidated Interim Storage Facility

The U.S. Department of Energy’s Integrated Waste Management (IWM) program under the Office of Nuclear Energy is planning for the future transportation, storage, and eventual disposal of spent nuclear fuel (SNF) and high-level radioactive waste (HLW) from nuclear power plant and waste custodian sites across the United States. To better enable informed decision-making regarding the back end of the nuclear fuel cycle, the IWM program has been sponsoring the development and application of system analysis tools capable of analyzing various options for managing SNF and HLW. With these tools, integrated waste management system (IWMS) architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). System analyses and assessments typically use these modeling and simulation tools to investigate implications of changes in various assumptions and parameters such as acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, start and stop dates of facilities, etc. The Next Generation System Analysis Model (NGSAM) is an agent-based simulation toolkit that is used for a system-level simulation and analysis focused on SNF management in the United States. NGSAM’s primary purpose is to provide a system analyst with capabilities to model the IWMS and gain insights into SNF and HLW management alternatives including the impact of system choices, associated cost estimates, and development of integrated yet flexible approaches. An analyst using NGSAM can define several factors like the number of storage facilities, capacity at each facility, transportation schedules, shipment rates, and other conditions. IWM is also developing the Stakeholder Tool for Assessing Radioactive Transportation (START). START is a web-based geospatial tool developed to provide the visualization and initial evaluation of transportation options associated with future SNF and HLW shipment planning and operations. This includes characterizing safety, economic, and environmental conditions at and in proximity to shipment origins as well as along prospective transportation routes. Information from the START tool can be presented/shared as maps, graphics, geospatial files, and tabular form to enable easy data representation and export functionality. The system analysis, NGSAM, and START teams have been working closely for several years before formalizing this collaboration. START provides the SNF transportation routing information for use in NGSAM. System analysts use the NGSAM tool to generate results (schedule, costs, infrastructure acquisitions, shipment rates, etc.). Subject-matter experts and system analysts work together to inform how NGSAM should model the waste management system. Specifically, this paper discusses the collaborations between the system analysis, NGSAM, and START teams and their accomplishments over the past year. Some examples of these efforts include calibrating and adding data to the START output files to meet NGSAM needs, gaining a better understanding of START data used in NGSAM as well as how updates in START data could result in an improved NGSAM analysis. Detailed examples of various tasks that have been performed by the team will be discussed in the full paper. Continued efforts in this direction are expected in the coming years.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1982

Advanced Very High Resolution Radiometer (AVHRR) data evaluation for use in monitoring vegetation. Volume 1: Channels 1 and 2

Data from the National Oceanic and Atmospheric Administration satellite system (NOAA-6 satellite) were analyzed to study their nonmeteorological uses. A file of charts, graphs, and tables was created form the products generated. It was found that the most useful data lie between pixel numbers 400 and 2000 on a given scan line. The analysis of the generated products indicates that the Gray-McCrary Index can discern vegetation and associated daily and seasonal changes. The solar zenith-angle correction used in previous studies was found to be a useful adjustment to the index. The METSAT system seems best suited for providing large-area analyses of surface features on a daily basis.

Horvath, N. C.↗
NASA NTRS2010

EDOS Evolution to Support NASA Future Earth Sciences Missions

This paper presents a ground system architecture to service future NASA decadal missions and in particular, the high rate science data downlinks, by evolving EDOS current infrastructure and upgrading high rate network lines. The paper will also cover EDOS participation to date in formulation and operations concepts for the respective missions to understand the particular mission needs and derived requirements such as data volumes, downlink rates, data encoding, and data latencies. Future decadal requirements such as onboard data recorder management and file protocols drive the need to emulate these requirements within the ground system. The EDOS open system modular architecture is scalable to accommodate additional missions using the current sites antennas and future sites as well and meet the data security requirements and fulfill mission's objectives

Cordier, Guy R.↗
DOE OSTI2024

Photonuclear Physics in SCALE

Radiation shielding modeling involves a wide range of applications, such as power reactors, critical experiments, portable sources, linear accelerators, and fusion systems. Particle energy ranges vary from thermal energies to fast energy spectra. MAVRIC, as the radiation shielding sequence of the SCALE code system [1] developed and maintained by Oak Ridge National Laboratory, is capable of modeling both neutron and photon interactions in matter and is widely used by the US Nuclear Regulatory Commission, Department of Energy, the National Nuclear Security Administration, and radiation shielding practitioners all around the world. Although most applications don’t involve highly energetic photons that can cause photonuclear reactions and create coupled chains of high energy, ionized electrons and bremsstrahlung radiation within a material medium, when present, these reactions can have a significant impact upon the downstream particle fluxes from incident photons above 20 MeV. For example, linear accelerators used for medical isotope production are examples of applications in which high-energetic photons are generated and used for driving or controlling other components of a complex facility. Radiation shielding analyses of such a facility would require accounting for any and all significant sources of radiation. Unfortunately, MAVRIC included no data and methods to model either photonuclear reactions or the bremsstrahlung photons until this work, which enabled accounting for both. Photonuclear reaction cross sections were imported from the Evaluated Nuclear Data File libraries, and corresponding methods were implemented in the SCALE code system; see Section 2 for how the nuclear data are imported and used. Bremsstrahlung photons were modeled by assuming thick-target approximation whereby all generated electrons and positrons due to photon interactions are assumed to be absorbed within the same material in which they were born, yielding a quick particle transport simulation method by using fast lookup tables for generating subsequent gammas; see Section 4 for details. A suite of verification models was used to test implemented methods and associated data. Tests yielded satisfactory results for the new features. Enhancements will be released as part of the next major SCALE release (v7.0), which is anticipated to be deployed in 2025, with beta releases available in the interim.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Plant Physiology, Alder and Willow Species, Seward Peninsula, Alaska, 2019

Photosynthetic parameters (Vcmax and Jmax), CO2 response (ACi) curves and dark respiration (Rdark) measurements of tundra shrub species. Data were collected at the NGEE-Arctic Kougarok and Teller study sites on the Seward Peninsula, AK, USA in July 2019. Four species were measured using LI-COR LI-6400 portable gas exchange systems: Alnus viridis ssp. fruticosa, Salix richardsonii and Salix pulchra. The data package files include data files, metadata files, dGPS locations and the complete instrument output for all gas exchange measurements in .csv format. See the related data packages for foliar trait data (leaf mass per area, leaf nitrogen concentration), and leaf spectral reflectance data collected simultaneously on the same shrubs (NGA210, NGA212).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 OSTI2019

Novel, Low-Cost, Light-Weight High Efficiency (H*10 Capable) Neutron Detector-Dosimeter

The goal of this project was to design, develop and validate a novel, spectroscopy enabled H*(10) neutron dosimetry system based on the tensioned metastable fluid detector (TMFD) sensor technology. The project team consisted of staff from Oak Ridge National Laboratory (ORNL), Purdue University (PU) and Sagamore Adams Laboratories, LLC (SAL). PU-SAL staff were tasked with the design, development, construction and testing of the H*TMFD hardware and software, along with developing the control and data acquisition software for comparison of predictions from H*TMFD against a commonly accepted and widely used industry standard system; for this project, the Li-I detector coupled to bonner spheres (LiI-BSS) system manufactured by Ludlum, Inc. was utilized as the reference (“gold”) standard – similar in terms of neutron spectroscopy enablement to another industry recognized, albeit, significantly higher cost (est. $300K) system referred to as “ROSPEC” (from BTI, Inc., which was not available for this project). ORNL staff were tasked with providing field-relevant guidance, apparatus and facilities for acquiring data against calibrated neutron sources, and comparing results of H*TMFD against LiI-BSS system predictions in a series of blind-tests conducted at ORNL. Over the course of 12 months, the PU-SAL-ORNL staff successfully accomplished the proposed technical and administrative tasks, inclusive of engaging in outreach to potential users of this technology in the DOE-wide infrastructure. The proposed tasks were successfully accomplished in timely manner; the follow-up type tasks pertaining to SBIR type Phases 2-3 were discussed and are initiated, inclusive of filing for intellectual property (IP) disclosures and possible patent filings by PU’s Office of Technology Commercialization (OTC). Two H*TMFD system architectures (see Exhibits 1 & 2 in the report) were developed and constructed for hand-portability by health-physicists (HPs) – the HP-H*TMFD, and the H*TMFD system which consists of a side-by-side mounted array of 4 TMFDs of 3 different sizes in sensitive volume (including one with borated fluid) that now simultaneously enables neutron energy spectroscopy: single bin for < 0.1 MeV, and 152 energy bins in the 0.1-15.2 MeV range; H*(10) dosimetry from ~5 μRem/h towards 10 R/h ranges. Several experiments were conducted using neutron sources in various configurations (shielded and unshielded). In direct comparison against the LiI-BSS industry standard (acquiring data for 26h each source), the H*TMFD system (acquiring data for ~6h for each source) offered H*(10) dose predictions for the most part accurate to within +/-10% for dose rates in the 100-300 μRem/h range. The LiI-BSS was impractical to use under ultra-low (~10 μRem/h) dose rate space, as also another metering device used at ORNL (Ludlum 4241L non-spectroscopy enabled) for which the lower limit is set by the manufacturer at 100 μRem/h. The enablement for efficient use in timely manner at the 10 μRem/h levels is deemed to be a strong enabling factor for H*TMFD for use in the DOE-nuclear laboratory arena. In terms of weight, the HP-H*TMFD weighs under ~5-7 lb.; the H*TMFD system weighs ~35-lb. As such, it is ~1/4 the weight of an LiI-BSS system weighing ~120 lb (LiI detector with 6 bonner spheres) and, ~1/2 the weight of ROSPEC. As a result of this activity, two involved post-doctoral student staff have now transitioned their knowledge and experiences to DOE’s Pacific Northwest National Laboratory (PNNL). A PU graduate student has also benefited from this project work which formed a principal basis for his Ph.D. dissertation work (in progress).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1980

The NEEDS Data Base Management and Archival Mass Memory System

A Data Base Management System and an Archival Mass Memory System are being developed that will have a 10 to the 12th bit on-line and a 10 to the 13th off-line storage capacity. The integrated system will accept packetized data from the data staging area at 50 Mbps, create a comprehensive directory, provide for file management, record the data, perform error detection and correction, accept user requests, retrieve the requested data files and provide the data to multiple users at a combined rate of 50 Mbps. Stored and replicated data files will have a bit error rate of less than 10 to the -9th even after ten years of storage. The integrated system will be demonstrated to prove the technology late in 1981.

Bailey, G. A.↗
NASA NTRS1993

Recommendations resulting from the SPDS Community-Wide Workshop

The Data Systems Panel identified three critical functionalities of a Space Physics Data System (SPDS): the delivery of self-documenting data, the existence of a matrix of translators between various standard formats (IDFS, CDF, netCDF, HDF, TENNIS, UCLA flat file, and FITS), and a network-based capability for browsing and examining inventory records for the system's data holdings. The recommendations resulting from the workshop include the philosophy, funding, and objectives of a SPDS. Access to quality data is seen as the most important objective by the Policy Panel, with curation and information about the data being integral parts of any accessible data set. The Data Issues Panel concluded that the SPDS can supply encouragement, guidelines, and ultimately provide a mechanism for financial support for data archiving, restoration, and curation. The Software Panel of the SPDS focused on defining the requirements and priorities for SPDS to support common data analysis and data visualization tools and packages.

Source record↗
DOE OSTI2019

Localized Actual Meteorological Year File Creator (LAF): A tool for using locally observed weather data in building energy simulations

The Localized Actual Meteorological Year File Creator (LAF) application provides web-based access to real meteorological data and processes it into a weather file suitable for building energy modeling. Building energy consumption is affected by what is inside the building (such as occupants, appliances, HVAC systems, etc.) and by what is outside: the weather conditions the building is exposed to. However, freely available weather data files are limited to a number of specific locations, usually airports, which are often located away from city centers where buildings are concentrated. The authors have developed a new tool that supports the investigation and quantification of micro-climate conditions on building energy consumption. LAF is built on the Python open-source programming language and has a Graphical User Interface (GUI) that allows users to create custom weather data files for building energy simulations. Many sets of actual meteorological year weather data for long time periods are publicly available online (such as the MesoWest database) for thousands of locations in the US. LAF selects weather data according to user specifications and automatically processes it through an API across multiple weather stations and multiple time periods. The user may easily select a specific location, time frame, and time step that best meets their needs. This article presents a useful tool for energy modelers, building designers and operators to assist with building performance analysis and optimization.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

The git based ATLAS data acquisition configuration service in LHC Run 3

The ATLAS experiment at the LHC at CERN uses a large, distributed trigger and data acquisition system composed of many computing nodes, networks, and hardware modules. Its configuration service is used to provide descriptions of control, monitoring, diagnostic, recovery, dataflow and data quality configurations, interconnections, and parameters for modules, chips, and channels of various online systems, detectors, and the whole ATLAS experiment. Those descriptions have historically been stored in more than one thousand interconnected XML files, which are updated by various experts many times per day. Maintaining error-free and consistent sets of such files and providing reliable and fast access to current and historical configurations is a major challenge. This paper gives details of the configuration service upgrade on the modern Git version control system backend for LHC Run 3 and its exploitation experience. It may be interesting for developers using human-readable file formats, where consistency of the files, performance, access control, traceability of modifications, and effective archiving are key requirements.

Soloviev, Igor [Univ. of California, Irvine, CA (U↗
NASA NTRS2019

Computing observation geometry for small satellites

Most solar system science missions need a variety of observation geometry–quantities such as position and velocity, range and altitude, viewing latitude and longitude, and lighting angles– to support mission engineering, science planning, and science data analysis activities. NASA's "SPICE" system offers one popular, multi-mission means for doing just that. SPICE comprises both data files, called kernels, and a SPICE software Toolkit that is available in many popular languages. A mission operations center produces the SPICE kernel files. Scientists and engineers write their own applications programs to address some need, and they include a few SPICE subroutines within that code to do the needed geometry computations. The SPICE system has been in use throughout NASA’s planetary science mission domain since 1991, and it has slowly spread to most major space agencies around the globe since then. The SPICE software is available in most popular languages, and for most popular platforms. The code is thoroughly tested before being released, and new versions of the Toolkit are always backwards compatible. The SPICE components are freely offered to everyone, and have no export, licensing or similar restrictions. Maybe using SPICE would work for your CubeSat or SmallSat mission?

Acton, Charles H.↗
DOE OSTI2020

CALPHAD Uncertainty Quantification and TDBX

CALPHAD uncertainty quantification (UQ) is the foundation of materials design with quantified confidence. We report a framework and software packages to enable CALPHAD UQ assessment and calculation using commercial CALPHAD software (Thermo-Calc). This Bayesian inference framework is coupled with a Markov chain Monte Carlo algorithm to establish uncertainty traces with a given thermodynamic database file (TDB) and corresponding experimental data points. This general framework is demonstrated with the Ni–Cr binary system. The algorithm is firstly validated on synthetic data with known ground truth. Then it is applied to real experimental data to generate posterior traces. We develop a file format named TDBX, which provides a single source of truth by combining the original TDB content and the traces for each assessed Gibbs energy parameter. CALPHAD UQ calculations are performed based on the TDBX file, from which uncertainties for phase boundaries, enthalpy curves, and solidification range are collected as examples of basic design parameters. This TDBX file with corresponding scripts are made open-source. Finally, the combination of CALPHAD UQ assessments and calculations connected by TDBX supports uncertainty-assisted modeling, enabling the integrated application of modern design with uncertainty methodologies to computational materials design.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Community Geothermal: Soil Conductivity, Borehole Design, Energy Models, and Load Data for a Residential System Development - Hinesburg, VT

This dataset contains materials from the Coalition for Community-Supported Affordable Geothermal Energy Systems (C2SAGES) project, which evaluated the techno-economic feasibility of a community geothermal system for a residential development in Hinesburg, VT. The dataset includes detailed soil conductivity test reports, energy models, borehole design reports, hourly energy loads for heating, cooling, and hot water, and design layouts. EnergyPlus was used to model building energy loads, and Modelica software was applied for geothermal loop sizing based on these loads and soil conductivity results. Python scripts for network design further refined the models. Key files include PDF reports on borehole design (with projections for 1-year, 15-year, and 30-year systems), soil conductivity test results, EnergyPlus modeling outputs, and 2D/3D design drawings in PDF, DWG, and DXF formats. Python notebooks for network design and OnePipe model files are also provided, with Modelica required for viewing certain files. Outputs and modeling data are in various formats including CSV, JPG, HTML, and IDF, with units and data clearly labeled to support understanding of system design and performance for the proposed geothermal solution.

15 GEOTHERMAL ENERGY↗