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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

SU-F-T-301: Planar Dose Pass Rate Inflation Due to the MapCHECK Measurement Uncertainty Function

Purpose: To quantify the effect of the Measurement Uncertainty function on planar dosimetry pass rates, as analyzed with Sun Nuclear Corporation analytic software (“MapCHECK” or “SNC Patient”). This optional function is toggled on by default upon software installation, and automatically increases the user-defined dose percent difference (%Diff) tolerance for each planar dose comparison. Methods: Dose planes from 109 IMRT fields and 40 VMAT arcs were measured with the MapCHECK 2 diode array, and compared to calculated planes from a commercial treatment planning system. Pass rates were calculated within the SNC analytic software using varying calculation parameters, including Measurement Uncertainty on and off. By varying the %Diff criterion for each dose comparison performed with Measurement Uncertainty turned off, an effective %Diff criterion was defined for each field/arc corresponding to the pass rate achieved with MapCHECK Uncertainty turned on. Results: For 3%/3mm analysis, the Measurement Uncertainty function increases the user-defined %Diff by 0.8–1.1% average, depending on plan type and calculation technique, for an average pass rate increase of 1.0–3.5% (maximum +8.7%). For 2%, 2 mm analysis, the Measurement Uncertainty function increases the user-defined %Diff by 0.7–1.2% average, for an average pass rate increase of 3.5–8.1% (maximum +14.2%). The largest increases in pass rate are generally seen with poorly-matched planar dose comparisons; the MapCHECK Uncertainty effect is markedly smaller as pass rates approach 100%. Conclusion: The Measurement Uncertainty function may substantially inflate planar dose comparison pass rates for typical IMRT and VMAT planes. The types of uncertainties incorporated into the function (and their associated quantitative estimates) as described in the software user’s manual may not accurately estimate realistic measurement uncertainty for the user’s measurement conditions. Pass rates listed in published reports or otherwise compared to the results of other users or vendors should clearly indicate whether the Measurement Uncertainty function is used.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Assessment of the Area of Review and Leakage Impact for Site 7 using the NRAP-IAM-CCS Tool, Northern Michigan Basin-CarbonSAFE Phase 1 Pre-Feasibility Study

U.S. Environmental Protection Agency’s (EPA’s) Class VI regulations require owners or operators of carbon storage projects to determine an Area of Review (AoR) representative of project risk to underground sources of drinking water (USDWs). The AoR is an estimate of the project footprint and is used to develop monitoring plans to ensure protection of USDWs. In this syudy, the NRAP-IAM-CS software tool was applied to estimate the AoR and the leakage potential of legacy wells located within the AoR to impact groundwater quality at a carbon storage screening site for the NMB-CS, Phase 1 project. The NRAP-IAM-CS is a science-based toolset developed by the U.S. Department of Energy for quantitative risk assessment of geologic sequestration of carbon dioxide (CO 2 ) (Pawar et al., 2016). The toolset adopts a stochastic approach in which predictions include site uncertainties using storage reservoir, leakage scenario, and shallow groundwater impact reduced order models (ROMs). Risk-based analysis done using the NRAP-IAM-CS yielded an AoR that was comparable to estimates defined by the critical pressure needed move fluid from the reservoir to the overlying USDW through an open wellbore. The risk-based AoR was slightly smaller than that based on the critical pressure (234 km 2 compared to 269 km 2 ), because small fluxes did not impact groundwater quality. Leakage from two legacy wells located within the AoR should not impact groundwater quality over the 30-year injection period. Legacy Well 1 penetrates the simulated CO 2 plume and would require a permeability of 5 x 10 -12 m 2 (~5 Darcy) to impact groundwater quality after about 20 years of injection. Legacy Well 2 falls outside of the CO 2 plume footprint, where reservoir pressures are too small to generate large enough leakage flux to change groundwater quality even with well permeabilities as high as 5 x 10 -11 m 2 (~50 Darcy). This work represents one of the first applications of the NRAP toolset for the screening of potential CO 2 storage sites. The toolset provides a risk-based method of evaluating the AoR and the impact of CO 2 or brine leakage through legacy wells. The following recommendations will strengthen the use of probabilistic assessments for site selection and permitting of Class VI CO 2 injection wells.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

The evaluation of a 2D diode array in “magic phantom” for use in high dose rate brachytherapy pretreatment quality assurance

Purpose: High dose rate (HDR) brachytherapy is a treatment method that is used increasingly worldwide. The development of a sound quality assurance program for the verification of treatment deliveries can be challenging due to the high source activity utilized and the need for precise measurements of dwell positions and times. This paper describes the application of a novel phantom, based on a 2D 11 × 11 diode array detection system, named “magic phantom” (MPh), to accurately measure plan dwell positions and times, compare them directly to the treatment plan, determine errors in treatment delivery, and calculate absorbed dose. Methods: The magic phantom system was CT scanned and a 20 catheter plan was generated to simulate a nonspecific treatment scenario. This plan was delivered to the MPh and, using a custom developed software suite, the dwell positions and times were measured and compared to the plan. The original plan was also modified, with changes not disclosed to the primary authors, and measured again using the device and software to determine the modifications. A new metric, the “position–time gamma index,” was developed to quantify the quality of a treatment delivery when compared to the treatment plan. The MPh was evaluated to determine the minimum measurable dwell time and step size. The incorporation of the TG-43U1 formalism directly into the software allows for dose calculations to be made based on the measured plan. The estimated dose distributions calculated by the software were compared to the treatment plan and to calibrated EBT3 film, using the 2D gamma analysis method. Results: For the original plan, the magic phantom system was capable of measuring all dwell points and dwell times and the majority were found to be within 0.93 mm and 0.25 s, respectively, from the plan. By measuring the altered plan and comparing it to the unmodified treatment plan, the use of the position–time gamma index showed that all modifications made could be readily detected. The MPh was able to measure dwell times down to 0.067 ± 0.001 s and planned dwell positions separated by 1 mm. The dose calculation carried out by the MPh software was found to be in agreement with values calculated by the treatment planning system within 0.75%. Using the 2D gamma index, the dose map of the MPh plane and measured EBT3 were found to have a pass rate of over 95% when compared to the original plan. Conclusions: The application of this magic phantom quality assurance system to HDR brachytherapy has demonstrated promising ability to perform the verification of treatment plans, based upon the measured dwell positions and times. The introduction of the quantitative position–time gamma index allows for direct comparison of measured parameters against the plan and could be used prior to patient treatment to ensure accurate delivery.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Economic and embodied energy analysis of integrated circuit manufacturing processes

Integrated circuits (ICs) are the fundamental microelectronic building blocks of typical information and communication technology (ICT) devices such as laptops and smartphone. With the emergence of faster and cheaper low-power ICs for the growing ICT market, there is a limited information on their manufacturing energy and economic impacts owing to the lack of recurrent upgradation of proprietary IC manufacturing process data. In this work, economic and life cycle energy assessments (LCAs) of IC manufacturing and assembly processes were conducted using the latest bill of materials (BOM) manufacturing data in a state-of-the-art IC manufacturing cost software tool developed by IC Knowledge, LLC. IC manufacturing cost was estimated to be $\$$1.00-$\$$5.00/cm 2 ; the high-end cost represents the most advanced 3D NAND IC technology with the Wafer Level Chip Scale Package cost of $4/cm 2 . Total cumulative energy demand (CED) estimates of IC manufacturing using the OpenLCA software ranged from 9 to 38 MJ/cm 2 or 56–235 BJ/month with the largest share (~ 75%) from on-site energy. The IC manufacturing CED is projected to increase with the progress in IC technology node, which has increased by more than two times for technology node evolution from 110 to 14 nm. Furthermore, the representative detailed BOM data were considered to reduce the CED uncertainties of the estimated standard deviation of 35%- 42%.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Verification of Sulfate Attack Penetration Rates for Saltstone Disposal Unit Modeling

Recent Special Analysis modeling of Saltstone Disposal Units consider sulfate attack on concrete and utilize degradation rates estimated from Cementitious Barriers Partnership software simulations. This study provides an independent verification of those simulation results using an alternative analysis method and an independent characterization data source. The sulfate penetration depths estimated herein are similar to the best-estimate values in SRNL-STI-2013-00118 Rev. 2 and well below the nominal values subsequently used to define Saltstone Special Analysis base cases.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Design, scaling and cost evaluations of circulating fluidized-bed systems for biomass pyrolysis

To generate updated and transparent capital cost estimates for biomass fast pyrolysis equipment, refinery fluidized catalytic cracking design and sizing principles are examined and extended to pyrolysis of woody biomass. Capital costs for the sized equipment are estimated with process-industry software. A one-dimensional flow simulation with pyrolysis kinetics is leveraged to validate the fluidization conditions and thermal energy balance. After successful sizing and a system cost estimate of $\$$2.8 M (in 2016 US$\$$) at the biorefinery scale of 1000 metric tons per day (MTD), these methods were exercised for even smaller equipment at the distributed pyrolysis scale with modifications to the process design constraints, and not directly comparable with the 1000 MTD case, arriving at capital cost estimates of $\$$1.2 M for a 500 ton/day system and $\$$0.9 M for a 200 ton/day system. Here in this work, It is noted that this work only estimates purchased equipment costs at the ±50% accuracy level; there are significant other custom factors applicable to each installation based on location, maturity, scale, complexities during installation, engineering and licensing costs, etc. that need to be added on to these estimates to derive investment costs.

09 BIOMASS FUELS↗
DOE OSTI2025

Scientific Open-Source Software Is Less Likely to Become Abandoned Than One Might Think! Lessons from Curating a Catalog of Maintained Scientific Software

Scientific software is essential to scientific innovation and in many ways it is distinct from other types of software. Abandoned (or unmaintained), buggy, and hard to use software, a perception often associated with scientific software can hinder scientific progress, yet, in contrast to other types of software, its longevity is poorly understood. Existing data curation efforts are fragmented by science domain and/or are small in scale and lack key attributes. We use large language models to classify public software repositories in World of Code into distinct scientific domains and layers of the software stack, curating a large and diverse collection of over 18,000 scientific software projects. Using this data, we estimate survival models to understand how the domain, infrastructural layer, and other attributes of scientific software affect its longevity. We further obtain a matched sample of non-scientific software repositories and investigate the differences. We find that infrastructural layers, downstream dependencies, mentions of publications, and participants from government are associated with a longer lifespan, while newer projects with participants from academia had shorter lifespan. Against common expectations, scientific projects have a longer lifetime than matched non-scientific open-source software projects. We expect our curated attribute-rich collection to support future research on scientific software and provide insights that may help extend longevity of both scientific and other projects.

Malviya Thakur, Addi [ORNL] (ORCID:000000022681999↗
DOE OSTI2026

Battery Life Prediction Using Reduced-Order Physics Models and Machine Learning (CRADA Final Report)

Phase 1 (Original CRADA, plus no-cost extension modifications #1-3, 6/1/2017 to 3/13/2021): The Australian Department of Defence (AUDoD) is performing accelerated aging tests of Li-ion batteries to benchmark their reliability and degradation characteristics. Using its previously developed battery lifetime predictive model framework, the National Laboratory of the Rockies (NLR) will develop analytical models based the AUDoD data to predict lifetime of the multiple Li-ion battery chemistries under real-world use scenarios of interest to AUDoD. The NLR model is based on physical degradation mechanisms encountered by Li-ion batteries and has been previously validated. Phase 2 (CRADA modification #4, plus no-cost extension modification #5, 2/22/2021 to 3/30/2025): Train and support Australian Department of Defence personnel to use NLR software for model-based estimation of Li-ion battery lifetime using accelerated battery aging data collected by the Australian Department of Defence. Under separate DOE funding from 2019 to 2021, NLR enhanced its battery life-prediction software using machine learning algorithms to automate portions of the model-fitting process, requiring significantly less labor and expert judgment and also adding uncertainty quantification, increasing statistical rigor. Under Phase 2, NLR will customize NLR Software and provide it to AuDoD. NLR will enhance its NLR Model to capture aging modes of AuDoD's multi-cell modules, including cell-balancing effects. NLR will develop example single-cell and multi-cell models based on one AuDoD battery aging dataset. NLR will train AuDoD personnel on NLR Software. By the conclusion of the project, NLR will have provided AuDoD the training materials, a user manual and software needed to perform their own analysis of additional and/or future battery aging datasets.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

NE-COST plug-in: Expanding ACCERT's Capabilities for Life-Cycle Cost Modeling

The Algorithm for the Capital Cost Estimation of Reactor Technologies (ACCERT) is a structured methodology and software tool designed to simplify and standardize cost estimation for nuclear reactor technologies [1]. By utilizing a relational database structure and modular cost estimation algorithms, ACCERT delivers a robust, flexible, and scalable framework for evaluating costs across various reactor types and configurations [2]. The recent integration of the NE-COST plugin further expands ACCERT’s scope by introducing detailed life-cycle cost modeling and probabilistic analysis of uncertainties. This addition enables users to evaluate costs across front-end processes such as uranium enrichment and fabrication, as well as back-end activities including waste disposal and geologic storage. Through Monte Carlo statistical cost simulations, the plugin provides probabilistic insights into cost ranges, offering critical decision-making support for stakeholders including reactor developers, policymakers, and researchers.

Zhou, Jia↗
DOE OSTI2021

Analysis and Recommendation of Alpha-Beta Continuous Air Monitor Alarm Setpoints for the RPL Stack Exhaust

The Radiochemical Processing Laboratory (RPL) alpha-beta continuous air monitor (CAM) is used for real-time detection of “artificial” alpha-beta particulates from the stack exhaust. The CAM interfaces with software developed by the Pacific Northwest National Laboratory—called the “PNNL OS3300 Alpha-Beta Monitoring Software”—that provides real-time estimates of alpha-beta air concentrations and integrated activities that are calculated from measured CAM counts. The OS3300 software has alarm setpoints that can be used to provide an early indication of larger releases, that if allowed to persist, could approach defined dose limits. This report performs a detailed review of historical and current alarm setpoints used at RPL, including discussion of the technical basis used in their development, analysis of alarm frequencies using measured historical data, and performs a detailed dose assessment using more realistic release scenarios, meteorology, and adjustment factors used in estimating released stack activity. Based on the results, the alpha and beta air concentration alarm setpoints will remain 1.77 × 10 -8 µCi/ml and 3.47 × 10 -8 µCi/ml, respectively; and the alpha and beta integrated activity alarm setpoints will remain 70.22 µCi and 137.63 µCi, respectively. These setpoints achieve the right operational balance in identifying larger releases from planned radiological work at RPL, without being overly conservative so as to cause nuisance alarming. Furthermore, implied doses associated with these setpoints are below defined and regulatory limits.

325RPL↗
DOE OSTI2025

Hiperclust

This software leverages transfer learning to analyze atom probe tomography (APT) data. It is trained on synthetic data and then applies this knowledge to predict the optimal number of clusters for a given APT dataset. Initially, the software used preliminary clustering to estimate the general structure of the data. Based on this, it provides suggestions for key parameters like minimum cluster size and minimum number of points. These parameters are critical for algorithms like HDBSCAN, ensuring accurate cluster formation without the need for trial-and-error testing. The software runs on High-Performance computing (HPC) systems, enabling fast, scalable analysis of large APT datasets, ultimately saving time and improving the reliability of clustering outcomes.

Tang, Yalei [Idaho National Laboratory (INL), Idah↗
DOE OSTI2019

Practical and reliable error bars for quantum process tomography

Current techniques in quantum process tomography typically return a single point estimate of an unknown process based on a finite albeit large amount of measurement data. Due to statistical fluctuations, however, other processes close to the point estimate can also produce the observed data with near certainty. Unless appropriate error bars can be constructed, the point estimate does not carry any sound operational interpretation. Here, we provide a solution to this problem by constructing a confidence region estimator for quantum processes. Our method enables reliable estimation of essentially any figure of merit for quantum processes on few qubits, including the diamond distance to a specific noise model, the entanglement fidelity, and the worst-case entanglement fidelity, by identifying error regions which contain the true state with high probability. We also provide a software package, QPtomographer, implementing our estimator for the diamond norm and the worst-case entanglement fidelity. We illustrate its usage and performance with several simulated examples. Furthermore, our tools can be used to reliably certify the performance of, e.g., error correction codes, implementations of unitary gates, or more generally any noise process affecting a quantum system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Fitting Matérn smoothness parameters using automatic differentiation

The Mat$\acute{e}$rn covariance function is ubiquitous in the application of Gaussian processes to spatial statistics and beyond. Perhaps the most important reason for this is that the smoothness parameter $\nu$ gives complete control over the mean-square differentiability of the process, which has significant implications for the behavior of estimated quantities such as interpolants and forecasts. Unfortunately, derivatives of the Mat$\acute{e}$rn covariance function with respect to $\nu$ require derivatives of the modified second-kind Bessel function $K$ $\nu$ with respect to $\nu$. While closed form expressions of these derivatives do exist, they are prohibitively difficult and expensive to compute. For this reason, many software packages require fixing $\nu$ as opposed to estimating it, and all existing software packages that attempt to offer the functionality of estimating $\nu$ use finite difference estimates for $\partial$ $\nu$ $K$ $\nu$ . In this work, we introduce a new implementation of $K$$\nu$ that has been designed to provide derivatives via automatic differentiation (AD), and whose resulting derivatives are significantly faster and more accurate than those computed using finite differences. Here, we provide comprehensive testing for both speed and accuracy and show that our AD solution can be used to build accurate Hessian matrices for second-order maximum likelihood estimation in settings where Hessians built with finite difference approximations completely fail.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Economic Consequence Analysis of Disasters: The ECAT Software Tool

This study develops a methodology for rapidly obtaining approximate estimates of the economic consequences from numerous natural, man-made and technological threats. This software tool is intended for use by various decision makers and analysts to obtain estimates rapidly. It is programmed in Excel and Visual Basic for Applications (VBA) to facilitate its use. This tool is called E-CAT (Economic Consequence Analysis Tool) and accounts for the cumulative direct and indirect impacts (including resilience and behavioral factors that significantly affect base estimates) on the U.S. economy. E-CAT is intended to be a major step toward advancing the current state of economic consequence analysis (ECA) and also contributing to and developing interest in further research into complex but rapid turnaround approaches. The essence of the methodology involves running numerous simulations in a computable general equilibrium (CGE) model for each threat, yielding synthetic data for the estimation of a single regression equation based on the identification of key explanatory variables (threat characteristics and background conditions). This transforms the results of a complex model, which is beyond the reach of most users, into a "reduced form" model that is readily comprehensible. Functionality has been built into E-CAT so that its users can switch various consequence categories on and off in order to create customized profiles of economic consequences of numerous risk events. E-CAT incorporates uncertainty on both the input and output side in the course of the analysis.

Environmental Economics↗
DOE OSTI2014

Patterns of Radiation Therapy Practice for Patients Treated for Intact Cervical Cancer in 2005 to 2007: A Quality Research in Radiation Oncology Study

Purpose: To assess practice patterns and compliance with clinical performance measures for radiation therapy (RT) for patients with intact carcinoma of the cervix. Methods and Materials: Trained research associates reviewed the records of 261 randomly selected patients who received RT for cervix carcinoma between 2005 and 2007 from 45 facilities randomly selected after stratification by practice type. National estimates of patient and treatment characteristics were calculated from survey data using SUDAAN statistical software. Results: From the survey data, we estimated that only 8% of US facilities treated on average more than 3 eligible patients per year. No small or medium nonacademic facilities in the survey treated more than 3 eligible patients per year. Approximately 65.5% of patients began treatment in a facility that treated 3 or fewer eligible patients per year. Although 87.5% of patients had brachytherapy as part of their treatment, the proportion treated with external beam RT only was about double that estimated from the 1996 to 1999 survey. The use of high-dose-rate brachytherapy sharply increased, particularly in small nonacademic facilities. Overall, patients treated in nonacademic facilities were more likely to have incomplete or protracted treatment; 43% of patients treated in small nonacademic facilities did not have treatment completed within 10 weeks. Also, patients treated in facilities that treated 3 or fewer eligible patients per year were significantly less likely to receive concurrent chemotherapy than were patients treated in other facilities. Conclusion: Survey results indicate a disturbingly high rate of noncompliance with established criteria for high-quality care of patients with cervical cancer. Noncompliance rates are particularly high in nonacademic facilities, especially those that treat relatively few patients with intact cervical cancer.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2023

Variational Kalman Filtering with Hinf-Based Correction v.1.0

SAND2024-01664O This software demonstrates the usage of the Variational Kalman Filtering with Hinf-Based Correction software, which can be used to calculate the mean and covariance of the estimate of a high-dimensional parameter. The software performs this task faster than the traditional Kalman filtering technique. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗
DOE OSTI2022

Geographically aware estimates of remotely sensed water properties for Chesapeake Bay

This software contains the code for a data-driven model to produce high-resolution (< 1 km2) estimates of temperature, salinity, and turbidity over decadal time scales as required by next-generation Earth Systems Models. Our model fits daily MODIS Aqua reflectance data to surface observations (< 1 m depth) from 2000-2021 in Chesapeake Bay, USA.

Stachelek, Jemma↗
DOE OSTI2024

PyDynamicWindow v1

This software is developed for researchers to evaluate the energy performance of of dynamic windows in the world-wide climate, and this first version focuses on thermochromic windows. We bring new indicators (necessity level and recommendation index) to the evaluation system for thermochromic windows. We estimate the majority users of this software tool will be non-commercial academic researchers. But commercial companies can also use it to optimize their products and estimate where their product has the most promising market.

Gao, Yuan↗