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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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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Model Choice Metrics to Optimize Profile-QSAR Performance

Predicting molecular activity against protein targets is difficult because of the paucity of experimental data. Approaches like multitask modeling and collaborative filtering seek to improve model accuracy by leveraging results from multiple targets, but are limited because different compounds are measured with different assays, leading to sparse data matrices. Profile-QSAR (pQSAR) 2.0 addresses this problem by fitting a series of partial least squares models for each target, using as features the predictions from single-task models on the remaining targets. Here, this method has been shown to produce better results than single task and multitask models. However, the factors determining the success of pQSAR 2.0 have as yet not been characterized. In this paper we examine the experimental conditions that lead to better pQSAR models. We limit the amount of data available to the method by retraining with decreasing amounts of data and explore the model’s ability to generalize to compounds that have never been assayed. Finally, we look at the properties of training data needed to demonstrate pQSAR improvement.

Biological and medical sciences, Computer science↗
DOE OSTI2022

Evaluation of the GaAs displacement damage metric using updated nuclear data

The emerging use of the physics-based athermal recombination-corrected displacement per atom (arc-dpa) model for the displacement damage efficiency has motivated a re-evaluation of the historical empirically-derived GaAs damage response function with the purpose of highlighting needs for future analytical and experimental work. The 1-MeV neutron damage equivalence methodology used in the ASTM E-722 standard for GaAs has been re-evaluated using updated nuclear data. This yielded a higher fidelity representation of the GaAs displacement kerma and, through the use of the refined PKA recoil energy-dependent damage efficiency model, an updated 1-MeV(GaAs) displacement damage function. This re-evaluation included use of the Norgett-Robinson-Torrens (NRT) model for an updated threshold treatment, rather than the sharp-threshold Kinchin-Pease model used in the current ASTM standard. The underlying nuclear data evaluations have been updated to use the ENDF/VIII.0 {sup 75}As and TENDL-2019 {sup 71}Ga/{sup 69}Ga evaluations. The displacement kerma and 1-MeV-equivalent damage responses were calculated using a modified NJOY-2016 code which allowed for refinements in some of the damage models. This paper shows that an updated displacement damage function, based upon the latest nuclear data, is consistent with the experimental data used to develop the current ASTM E-722 GaAs standard. Using a double ratio approach to compare the available experimental data with the calculated response, the average legacy double ratio was found to be 0.97 ± 0.05 and the average updated double ratio was found to be 0.94 ± 0.05. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2020

Quantifying Thermal Performance of the Building Envelope - Beyond Common Practice

Performance metrics serve as useful tools and indicators for many applications. For the building industry, various metrics exist; typically, these metrics do not assess the whole building performance. Instead, these represent separate components or heat transfer mechanisms of a building like R-value, U-factor/value, and airtightness. The mechanisms defined under these metrics all contribute significantly to the overall thermal performance of a building but will rarely act independently. There are metrics that account for the overall energy performance of a building, such as Energy Use Intensity (EUI). However, these metrics tend to be highly influenced by how the building is operated and used. There are also metrics which provide assessment on a relative basis. These indices are based upon comparison to a baseline, which complicates meaningful metric-based energy analyses. This paper presents a performance metric developed to account for various thermal properties and behaviors of a building. The metric accounts for all the relevant mechanisms that influence heat losses and gains in buildings and is thus directly related to the energy performance. In addition, the metric is designed to comprise air infiltration and allows users to account for workmanship quality, and imperfections of the building thermal resistance due to penetrations and other installations. This paper will describe how the metric can be applied for various building types and in different climates.

Pallin, Simon B.↗
DOE OSTI2026

“One Table to Rule Them All”: How a Single Table can Enable Extensive Insights, Analytics and Assessment on Human Mobility Data

While much research has been conducted in Human Mobility Science, most studies on the analytics/insights part generally focus on one of the following: processing and analytics on human stop-trip behavior, design of individual mobility metrics (often in silos), calculation and characterization of only a handful (typically 5-6) of human mobility metrics on geospatial-temporal human mobility data of interest. Although human mobility research offers a vast and diverse array of available metrics, most individual studies typically compute only a small subset of five or six metrics at a time when analyzing trajectory datasets of human mobility across different areas of interest. This paper is motivated by the critical need to repeatedly compute an extensive array of human mobility metrics across several trajectory datasets and perform individual metric-level benchmarking to establish a new, standardized Test and Evaluation (T&E) suite for the field of Human Mobility Science. We first present our findings on the minimal yet sufficient pre-processing required to reliably and efficiently compute a wide range of human mobility metrics. The key findings are specifically related to the proposed Composite Stop Locations table, which serves as a core pre-processing data layer. Subsequently, we present a case study demonstrating how the Composite Stop Locations table facilitates computation of at least 14 distinct human mobility metrics (unlike 5-6 different set of metrics used for studies in the literature) using the popular and open-source OpenPFLOW dataset. Finally, we have also presented an example of our benchmarking methodology to evaluate the quality and performance of the trajectory dataset of interest, assessed across multiple human mobility metrics.

De, Debraj [ORNL] (ORCID:0000000233630020)↗
DOE OSTI2022

Optimizing Rate of Penetration and Tripping Decision-Making using Real-Time Bit Wear Monitoring While Drilling Geothermal Wells

Understanding bit wear while drilling is critical to minimizing non-productive time (NPT) and optimizing rate of penetration (ROP). Lengthening drilling runs with damaged bits does not only lower the ROP, but also elevates the risk of inducing severe bit damage, which could potentially lead to time-consuming fishing operations. When drillers believe the bit has worn off substantially, the bit is tripped out to be replaced. On geothermal wells, tripping can take up to 20% of the overall well construction time, and this is generally acknowledged as an opportunity for improvement. Ideally, a bit run should be terminated before the bit is damaged beyond repair. At the same time, premature bit pulls are to be avoided as well. This study aims to leverage bit and tooth wear metrics that can be obtained in real time to characterize bit condition in order to optimize ROP and determine the optimal time to pull the bit. Two metrics were explored in this study: a bit wear metric that incorporated depth-of-cut, and a tooth wear metric developed by Bourgoyne & Young characterizing the state of bit teeth dull. Both metrics were computed using recorded data from 12¼ inches roller cone insert bit runs in five geothermal wells targeting a granodiorite formation in the western United States. Together with the actual dull grades, determined after the bits were pulled to surface, the metric trends were interpreted to characterize the downhole bit condition and identify the point at which the bit should have optimally been tripped out. The insights from studying the actual dull grades and how they relate to the two metrics were used to establish a reliable bit pull criterion. The bit wear metric trend correctly showed a noticeable departure from baseline for bits experiencing major dulling behavior. Additionally, the tooth wear model predicted the cutter dull within two dull grades for most runs, with better performance in predicting the inner teeth dull. Moreover, the combination of the bit wear and tooth wear metrics was effective in revealing the cause of the bit performance impairment. Proactive tracking of these two metrics in real-time can facilitate geothermal drilling ROP optimization and better-informed tripping decision-making, thereby avoiding wasted time and cost.

Ashari, Rahmat↗
DOE OSTI2020

MH-1A Sturgis Decommissioning and Dismantlement - 20281

The U.S. Army Corps of Engineers (USACE) with its prime contractor, Aptim Federal Services, LLC (APTIM), recycled 5,260 metric tons (11.6 million pounds) of material from Sturgis Barge (Sturgis) during the Decommissioning and Dismantlement of the MH-1A nuclear power reactor. The overall objective of the project was to reduce residual radioactivity associated with MH-1A to levels that permitted release of Sturgis for dismantlement and termination of the Army Reactor Office permit. By effectively applying waste hierarchy's three Rs - reduce, reuse and recycle - the Sturgis project not only minimized the amount of waste that required disposal at landfills, but also reduced the potential for long-term environmental liability emanating from these landfills. The project team completed the physical decommissioning efforts in June 2018 in Galveston, TX. In September 2018, radiological surveys were completed to demonstrate the vessel could be released for shipbreaking. Sturgis was towed from Galveston, TX to Brownsville, TX in late September 2018. Shipbreaking, dismantlement and recycling efforts began in early October 2018 and were completed on 15 March 2019. As part of the decommissioning effort in Galveston, the team shipped 69 shipments (860 metric tons) of low-level radioactive waste and radioactive components to the Waste Control Specialist (WCS) facility in Andrews TX for disposal. Certain radioactive components had to be transferred to the Department of Energy prior to placing the materials into the Federal Waste Facility located within WCS. However, most of the radioactive waste was characterized, profiled, approved and managed under the WCS permitted radioactive waste exemption process authorized and implemented by the Texas Commission on Environmental Quality (TCEQ) and the Radioactive Materials Division. This allows LLRW and LLMW to be shipped as regulated waste and then upon receipt at WCS through satisfying the relevant waste acceptance criteria the waste is exempted and placed into the WCS RCRA permitted cell. An additional 35 shipments (544 metric ton) of contaminated hazardous waste water were transported to U.S. Ecology in Robstown, TX for treatment/disposal. An additional 36 shipments (500 metric tons) of non-hazardous wastewater was sent to Republic Waste Services' facility in Fresno, TX. The disposal of these materials required close coordination with State of Texas regulators. During decommissioning, the project team recycled approximately 270 metric tons (600,000 pounds) of lead and steel. As part of the dismantlement in Brownsville, TX the team recycled approximately 5,000 metric tons (11 million pounds) of ferrous and non-ferrous material, limiting our disposal requirements to about 180 metric tons (400,000 pounds) of material (<4% from entire shipbreaking activity). Although the primary hazard being mitigated by this project was radiological, recycling was always a priority for the project. The team strived to achieve sustainability goals as we implemented this one of a kind project. Scrap metal recycling has a large positive impact on the environment and can also favorably impact project disposal costs. Steel is among the most recycled material in the world. Nearly 40% of the world's steel production is made from scrap. Recycling steel also requires 75% less energy than producing it from raw materials. By using recycled steel rather than virgin materials, 2.33 kg of carbon emissions are eliminated per kg of steel [1]. The project recycled more than 4,500 metric tons (10 million pounds) of steel, which eliminated about 10,400 metric tons (23 million pounds) of CO{sub 2}. By implementing a recycling initiative for the Sturgis project, the team was able to realize cost avoidance for disposal of scrap, cost savings from the metals recycled, plus the project provided benefits to the environment through our recycling efforts. Once the dismantlement was complete, the team prepared a detailed decommissioning closure report, which allowed for the termination of the Army Reactor Decommissioning Permit. While it not only reduced any potential long-term environmental liability, this project to decommission and dismantle a floating nuclear power plant is truly unprecedented - it is a prime example of the USACE mission which is: 'Engineering solutions for the Nation's toughest challenges'. This unique, one of a kind, historical power plant was never designed to be taken apart, and the available information about its construction was lacking in many details. The hazards that required mitigation dictated a painstaking and deliberate process in order to avoid any release to the environment and the community, and to protect the health and safety of the workers involved while keeping the waste hierarchy's three R's - reduce, reuse and recycle at the forefront. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Quantifying the effect of hydride microstructure on zirconium alloys embrittlement using image analysis

Since hydride microstructure can significantly influence Zr alloy nuclear fuel cladding’s ductility, a new metric has been developed to quantify hydride microstructure in 2D micrographs and relate it to crack propagation. As cladding failure usually results from a hoop stress, this new metric, called the Radial Hydride Continuous Path (RHCP), is based on quantifying the continuity of brittle hydride particles along the radial direction of the cladding tube. Compared to previous metrics, this approach more closely relates to the propensity of a crack to propagate radially through the cladding tube thickness. The RHCP takes into account hydride length, orientation, and connectivity to choose the optimal path for crack propagation through the cladding thickness. The RHCP can therefore be more closely linked to hydride embrittlement of the Zr alloy material, thus creating a relationship between material structure, properties, and performance. The new definition, along with previously proposed metrics such as the Radial Hydride Fraction (RHF), the Hydride Continuity Coefficient (HCC), and the Radial Hydride Continuity Factor (RHCF), have been implemented and automated in MATLAB. These codes are made available with this publication as supplementary materials. These metrics were verified by comparing their predictions of hydride morphology against expected values in simple cases, and the implementation of the new metric was validated by comparing its predictions with manual measurements of hydride microstructure performed on ImageJ. The RHCP was also validated against experimental measurements of fracture behavior and it was shown to correlate with cladding failure better than previous metrics. The information provided by these metrics will help accurately assess cladding integrity during operation, transportation, and storage.

36 MATERIALS SCIENCE↗