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At least 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Tutorial for Non-Orthogonal Configuration Interaction Fragment Studies Using GronOR

A brief tutorial is presented for the GronOR non-orthogonal configuration interaction application illustrating the download and build process, setting up calculations with OpenMolcas and GronOR, and a description of the file structure and input options. An overview of the computational workflow includes the generation of fragment wave functions and integrals with an adapted version of OpenMolcas, running GronOR calculations, and accounting for dynamic correlation corrections. Three end-to-end use cases are provided, representing a molecular dimer, an ion pair, and overlapping molecular fragments.

Straatsma, T.P.↗
DOE OSTI2024

Data Acquisition System Selection and Calibration of Resistive Moisture Content Measurements for Large-Scale Field Studies in Cold Climate Residential Building Envelope Performance

The residential building stock built before the energy codes were enforced has several significant inefficiency problems in terms of insulation and air leakage. To decrease these inefficiencies, building retrofits are necessary. However, if the envelope is not appropriately designed, excessive accumulation of moisture content and thus mold formation and decay inside the envelope layers can be a vital problem. This risk becomes higher, especially in extreme climate conditions such as cold winters and hot and humid summers as in some northern regions of the U.S. Field studies are essential to test the long-term hygrothermal performance of building envelopes. Although in-situ temperature, RH, and heat flux measurements are straightforward, moisture content measurements are cumbersome. Mainly, because of the heterogeneous nature of the wood materials, deviations and nonuniformities within the materials are unavoidable. Resistance measurements are one of the oldest methods used to measure the moisture content of wood and other building materials. In large-scale studies, it is commonly preferred to use multi-purpose data acquisition systems (DAQ) and custom-made or prefabricated moisture pins to measure the electrical resistance (and thus moisture content) of critical building materials. These multi-purpose DAQ systems generally provide lower costs and offer more flexibility. However, these systems require calibration and fine-tuning to achieve accurate moisture content measurements. A large-scale, two-year-long field study was conducted in northern Minnesota to monitor the hygrothermal performance of residential retrofit wall systems in cold climates. Two base case walls and sixteen different wall treatments were tested. Moisture contents were measured at various layers in each wall treatment using 85 sets of moisture pins. This paper focuses on the overall approach, fabrication, and calibration methodology for the combination of custom-made moisture pins and a multi-purpose DAQ. The aim is to directly use the low-excitation multi-purpose DAQ without any extra voltage regulator. A half-bridge circuit is used to measure wood resistance with 4V excitation voltage and 100 kΩ and 500 kΩ reference resistors. The system is calibrated for four different materials: Douglas fir, lodgepole pine, western red cedar, and oriented strand board (OSB). Calibration experiments were done under controlled conditions in 50% and 65% RH test chambers. Resistance-based moisture content calibration curves are obtained for each species. Results show that higher reference resistors provided better calibration curves for lower excitation voltages.

Desjarlais, Andre Omer↗
DOE OSTI2023

Improving the accuracy of freight mode choice models: A case study using the 2017 CFS PUF data set and ensemble learning techniques

Here, the US Census Bureau has collected two rounds of experimental data from the Commodity Flow Survey, providing shipment-level characteristics of nationwide commodity movements, published in 2012 (i.e., Public Use Microdata) and in 2017 (i.e., Public Use File). With this information, data-driven methods have become increasingly valuable for understanding detailed patterns in freight logistics. In this study, we used the 2017 Commodity Flow Survey Public Use File data set to explore building a high-performance freight mode choice model, considering three main improvements: (1) constructing local models for each separate commodity/industry category; (2) extracting useful geographical features, particularly the derived distance of each freight mode between origin/destination zones; and (3) applying additional ensemble learning methods such as stacking or voting to combine results from local and unified models for improved performance. The proposed method achieved over 92% accuracy without incorporating external information, an over 19% increase compared to directly fitting Random Forests models over 10,000 samples. Furthermore, SHAP (Shapely Additive Explanations) values were computed to explain the outputs and major patterns obtained from the proposed model. The model framework could enhance the performance and interpretability of existing freight mode choice models.

42 ENGINEERING↗
NASA NTRS2007

A Case Study Using Modeling and Simulation to Predict Logistics Supply Chain Issues

Optimization of critical supply chains to deliver thousands of parts, materials, sub-assemblies, and vehicle structures as needed is vital to the success of the Constellation Program. Thorough analysis needs to be performed on the integrated supply chain processes to plan, source, make, deliver, and return critical items efficiently. Process modeling provides simulation technology-based, predictive solutions for supply chain problems which enable decision makers to reduce costs, accelerate cycle time and improve business performance. For example, United Space Alliance, LLC utilized this approach in late 2006 to build simulation models that recreated shuttle orbiter thruster failures and predicted the potential impact of thruster removals on logistics spare assets. The main objective was the early identification of possible problems in providing thruster spares for the remainder of the Shuttle Flight Manifest. After extensive analysis the model results were used to quantify potential problems and led to improvement actions in the supply chain. Similarly the proper modeling and analysis of Constellation parts, materials, operations, and information flows will help ensure the efficiency of the critical logistics supply chains and the overall success of the program.

Tucker, David A.↗
DOE OSTI2012

National Grid Deep Energy Retrofit Pilot

Through discussion of five case studies (test homes), this project evaluates strategies to elevate the performance of existing homes to a level commensurate with best-in-class implementation of high-performance new construction homes. The test homes featured in this research activity participated in Deep Energy Retrofit (DER) Pilot Program sponsored by the electric and gas utility National Grid in Massachusetts and Rhode Island. Building enclosure retrofit strategies are evaluated for impact on durability and indoor air quality in addition to energy performance.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2004

Techno-Political Space Cooperation: A Longitudinal Analysis of NASA's Bilateral and Multilateral Agreements

NASA's international programs are both numerous and successful, with over two thousand international agreements forming a foundation of U.S. government cooperation that involved over half the United Nation's membership. Previous research, by the author, into these agreements has identified five variables underlying NASA's international cooperation efforts and these variables form a framework for explaining international cooperation behavior on a macro-level. This paper builds upon that research to effectively explain lower-level patterns of cooperation in NASA's experience. Two approaches for analyzing the space agency's history are used: aggregation of all agreements and a cluster (disaggregated) analysis of four key segments. While researchers of NASA's international cooperation often considered individual cases first, and then generalize to macro-level explanations. This study, in contrast, begins by considering all agreements together in order to explain as much as possible at the macro level before proceeding to lower tier explanations. These lower tier assessments are important to understanding regional and political influences on bilateral and multilateral cooperation. In order to accomplish this lower-tier analysis, the 2000 agreements are disaggregated into logical groupings enabling an analysis of important questions and clearer focus on key patterns concerning developing states, such as the role of international institutions or privatization on international cooperation in space technology.

Hudiburg, John J.↗
DOE OSTI2026

Feasibility and strategic implications of deploying nuclear power reactors in Africa

This report assesses the feasibility and strategic implications of deploying nuclear power reactors, including large-scale plants, advanced small modular reactors (SMRs), and microreactors, in African countries. Case studies focus on South Africa, Egypt, Kenya, Ghana, and Nigeria, examining nuclear energy’s role in Africa’s rapidly evolving energy landscape, marked by fast-growing demand, significant electricity access gaps, increasing renewable penetration, and strong policy commitments to industrialization and energy security. Several U.S. reactor technologies and designs are considered based on their development status and readiness for deployment. The analysis finds that nuclear power can provide reliable, clean baseload and flexible generation, as well as high-temperature process heat for desalination, hydrogen production, and industrial applications. However, suitability is highly country-specific, depending on grid size and stability, transmission capacity, cooling water availability, regulatory readiness, and fuel supply chains. Near-term deployment opportunities are strongest for light-water reactors (such as NuScale, BWRX-300, AP300, and SMR-300) that use low-enriched uranium and build on proven technology. More advanced concepts, including gas-cooled, sodium-cooled, molten-salt cooled reactors, and microreactors, will likely be relevant for African deployment in the 2030s or later, contingent on demonstration projects, high-assay low-enriched uranium (HALEU) fuel availability, and mature international licensing frameworks. Economic analysis shows that SMRs are capital-intensive, with projected overnight costs for 300 MWe units in 2025 ranging from approximately 1.4 to 2.6 billion USD per module. The levelized cost of electricity (LCOE) is highly sensitive to the weighted average cost of capital (WACC). Given typically higher financing costs and utility balance-sheet weaknesses in many African countries, bankable project structures will require sovereign guarantees, robust offtake arrangements, and layered financing from export credit agencies, development finance institutions, and vendor nations. Comparisons with recent large nuclear projects in the United Arab Emirates (UAE) and Egypt underscore the central role of state-backed loans, long tenors, and concessional terms. Country case studies illustrate a spectrum of readiness and opportunity. South Africa operates two 920 MWe pressurized light water reactors (totaling 1,840 MWe) at Koeberg and has the most mature regulatory and industrial base, positioning it as a prime candidate for both large reactors and SMRs to replace coal, support desalination, and anchor industrial hubs. Egypt is constructing four VVER-1200 units at El Dabaa with strong state leadership and could later complement this fleet with SMRs for coastal and industrial applications. Kenya and Ghana are advancing through IAEA Milestones with growing institutional capacity and clear interest in SMRs that match their smaller grids and industrialization plans. Nigeria has the largest demand potential but faces acute constraints in grid reliability, project bankability, and regulatory capacity; targeted deployments of large reactors and SMRs near coastal or industrial sites could have high impact if accompanied by major grid upgrades and institutional reforms. The report identifies cross-cutting challenges such as financing, political continuity, public acceptance, nonproliferation and security, waste and back-end management, regulatory capacity, grid adequacy, and long deployment timelines for first-of-a-kind designs, and ANL/NSE-26/3 ii proposes broad directions for resolution. These include stronger multifaceted financing for nuclear, long-term national energy strategies that transcend electoral cycles, proactive stakeholder engagement, strengthened regional and national regulators, and systematic workforce development through centers of excellence and expanded training. The United States should develop partnerships with African countries and offer end-to-end nuclear package similar to those used effectively by competitors: coordinated project development, state-backed financing, long-term fuel services, and durable in-country support through regional offices and sustained workforce/regulatory training. With timely planning, sustained political commitment, and appropriate financing and institutional support, nuclear energy, both large reactors and advanced SMRs, can become a meaningful, though not dominant, pillar of Africa’s future power mix, enhancing energy security, enabling industrial growth, and supporting climate goals.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Application of predictive data analytics to model daily hydrocarbon production using petrophysical, geomechanical, fiber-optic, completions, and surface data: A case study from the Marcellus Shale, North America

Predicting gas production from stimulated unconventional reservoirs has always been a challenge to oil and gas companies because the physics of fluid flow through such reservoirs is not well understood. On the other hand, modeling gas production from shale reservoirs is a complex multi-variate problem that requires proper integration of data from multiple disciplines, such as geology, petrophysics, geomechanics, completions, and surface-based measurements, etc. Here this study demonstrates the application of data-driven machine learning algorithms, integrating geoscientific, distributed acoustic sensing (DAS), distributed temperature sensing (DTS) fiber-optic, completions, flow scanner production log, and surface data to model daily gas production from a 28-stage stimulated horizontal well drilled in the Marcellus Shale of the Appalachian basin in North America. In addition, this study aims to utilize the data from a fiber-optic monitoring system, such as DAS and DTS to evaluate the well performance. We build supervised data-driven machine learning models using Random Forest (RF), Artificial Neural Network (ANN), and Support Vector Machine (SVM) algorithms to understand the well performance and forecast the daily gas production. The study compares the forecasted results, tests the level of accuracy, and addresses different issues with these machine learning algorithms. A spatio-temporal database is constructed and used to perform sensitivity analyses to identify the key drivers for gas production. The results show that RF and ANN algorithms can be used to predict daily gas production with significantly high accuracy; however, RF algorithm is the best predictor in terms of highest accuracy (96%), less computational time and cost. Based on sensitivity analysis, it appears that Poisson's ratio, minimum horizontal stress, DAS, casing pressure, gamma log are the most important parameters to predict gas production.

02 PETROLEUM↗
DOE OSTI2017

DOE Zero Energy Ready Home Case Study: Amaris Homes, Afton Model

Amaris Homes built this 3,734-ft2 home in Afton, Minnesota, to the performance criteria of the DOE Zero Energy Ready Home (ZERH) program. A high-efficiency gas boiler provides hot water for the zoned radiant floor system as well as for faucets and showers. A high-efficiency heat pump provides zoned cooling.

2017 Housing Innovation Award↗
DOE OSTI2015

Laser scanner data processing and 3D modeling using a free and open source software

The laser scanning is a technology that allows in a short time to run the relief geometric objects with a high level of detail and completeness, based on the signal emitted by the laser and the corresponding return signal. When the incident laser radiation hits the object to detect, then the radiation is reflected. The purpose is to build a three-dimensional digital model that allows to reconstruct the reality of the object and to conduct studies regarding the design, restoration and/or conservation. When the laser scanner is equipped with a digital camera, the result of the measurement process is a set of points in XYZ coordinates showing a high density and accuracy with radiometric and RGB tones. In this case, the set of measured points is called “point cloud” and allows the reconstruction of the Digital Surface Model. Even the post-processing is usually performed by closed source software, which is characterized by Copyright restricting the free use, free and open source software can increase the performance by far. Indeed, this latter can be freely used providing the possibility to display and even custom the source code. The experience started at the Faculty of Engineering in Catania is aimed at finding a valuable free and open source tool, MeshLab (Italian Software for data processing), to be compared with a reference closed source software for data processing, i.e. RapidForm. In this work, we compare the results obtained with MeshLab and Rapidform through the planning of the survey and the acquisition of the point cloud of a morphologically complex statue.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

ORCHA: A performance portability system for extreme heterogeneity

Heterogeneity is the prevalent trend in the rapidly evolving high-performance computing (HPC) landscape in both hardware and application software. The diversity in hardware platforms, currently comprising various accelerators and a future possibility of specializable chiplets, poses a significant challenge for scientific software developers aiming to harness optimal performance across different computing platforms while maintaining the quality of solutions when their applications are simultaneously growing more complex. Code synthesis and code generation can provide mechanisms to mitigate this challenge. We have developed a divide and conquer approach where different aspects of performance are handled by different stand-alone tools that are interfaced with the application through generated code. This portability system, ORCHA, enables users to configure and orchestrate their computations among available resources on a platform by specifying a high-level recipe, thereby permitting a many-to-many paradigm where each recipe results in a different variant of the application. The core design goal is to let users decide the application’s hardware mapping and orchestration by editing only the high-level recipe—without modifying the maintained source code or binding the application to a particular runtime system. Tools in ORCHA distribution are: CG-Kit for translating the recipe into an execution graph; Milhoja to execute the graph by orchestrating data and task movement among hardware resources; and Macroprocessor that enables users to define their own code-shorthand for higher composability and easier management of code variants. Additionally, the design of ORCHA permits tools to work in a plug-and-play mode where the application can build and run without CG-Kit and Milhoja, and either tool can be swapped out for other tools with similar capabilities by modifying the code generation portion of ORCHA. In this paper, we describe the design of ORCHA and the role that code-generation plays in isolating applications from tools. We demonstrate the breadth of configurations ORCHA enables with a case study in which an application configuration is realized on three distinct hardware mappings—a GPU-centric, a CPU/GPU balanced, and a CPU/GPU concurrent layouts by using different recipes.

Lee, Youngjun↗