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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Spectral Peak Enhancement by Combining Trusted Response Elements via Machine Learning (SPECTRE-ML) v0.8.0

SPECTRE-ML (Spectral Peak Enhancement by Combining Trusted Response Elements via Machine Learning) is a machine learning based program for finding optimal clusters of radiation detector segments (i.e., pixels or voxels) in order to improve spectral performance. It provides facilities for pre-processing and analyzing training datasets, running ML algorithms, and evaluating and visualizing outputs. SPECTRE-ML outperforms simpler ad-hoc segmentation methods such as uniform depth clusters, learning detector performance trends such as dead layers, edge effects, and gain shifts. Although extensible to arbitrary highly-segmented spectroscopic radiation detectors, SPECTRE-ML currently focuses on improving spectral performance in highly-segmented CdZnTe (CZT) detectors for International Atomic Energy Agency (IAEA) non-destructive assay (NDA) safeguards tasks.

Vavrek, Jayson↗
DOE OSTI2018

Green Design of a Cellulosic Butanol Supply Chain Network: A Case Study of Sorghum Stem Bio-butanol in Missouri

Cellulosic butanol is a very promising renewable fuel to consider for the future transportation market. However, the seasonal availability of the raw materials, high maintenance cost, and high logistical cost of the biomass energy supply chain are the main factors impeding the commercialization and large-scale-production of this energy source. Furthermore, research focusing on an environmental or green supply chain network design of cellulosic butanol has been insufficient. Here, this study focused on designing a green supply chain network for cellulosic butanol. A life cycle analysis was integrated into a multi-objective linear programming model to optimize the cellulosic butanol supply chain network. With the objectives of maximizing the economic profits and minimizing the greenhouse gas emissions, the proposed model can optimize the location and size of a bio-butanol production plant. The mathematical model was applied to a case study in the state of Missouri, and solved the tradeoff between the feedstock and market availabilities of sorghum stem bio-butanol.

09 BIOMASS FUELS↗
DOE OSTI2023

Theoretical Multinary Perovskite Oxides Dataset

Perovskite oxides (ternary chemical formula ABO3) are a diverse class of materials with applications including heterogeneous catalysis, solid-oxide fuel cells, thermochemical conversion, and oxygen transport membranes. However, their multicomponent chemical space is underexplored due to the immense number of possible compositions. To expand the number of computed compounds we report a dataset of 66,516 theoretical multinary oxides, 59,708 of which are perovskites. First, the AA'BB'O6 compositions were generated in the a-b+a- Glazer tilting mode using the computationally-inexpensive Structure Prediction and Diagnostic Software (SPuDS) program. Next, we optimized these structures with DFT using parameters compatible with the Materials Project (MP) database. Our dataset contains these optimized structures and their formation (ΔHf) and decomposition enthalpies (ΔHd) computed relative to MP tabulated elemental references and competing phases, respectively. This dataset can be mined, used to train machine learning models, and rapidly and systematically expanded by optimizing more SPuDS-generated AA'BB'O6 perovskite structures using MP-compatible DFT calculations

Bare, Zachary↗
DOE OSTI2024

GCAM–GLORY v1.0: representing global reservoir water storage in a multi-sector human–Earth system model

Abstract. Reservoirs play a significant role in modifying the spatiotemporal availability of surface water to meet multi-sector human demands, despite representing a relatively small fraction of the global water budget. Yet the integrated modeling frameworks that explore the interactions among climate, land, energy, water, and socioeconomic systems at a global scale often contain limited representations of water storage dynamics that incorporate feedbacks from other systems. In this study, we implement a representation of water storage in the Global Change Analysis Model (GCAM) to enable the exploration of the future role (e.g., expansion) of reservoir water storage globally in meeting demands for, and evolving in response to interactions with, the climate, land, and energy systems. GCAM represents 235 global water basins, operates at 5-year time steps, and uses supply curves to capture economic competition among renewable water (now including reservoirs), non-renewable groundwater, and desalination. Our approach consists of developing the GLObal Reservoir Yield (GLORY) model, which uses a linear programming (LP)-based optimization algorithm and dynamically linking GLORY with GCAM. The new coupled GCAM–GLORY approach improves the representation of reservoir water storage in GCAM in several ways. First, the GLORY model identifies the cost of supplying increasing levels of water supply from reservoir storage by considering regional physical and economic factors, such as evolving monthly reservoir inflows and demands, and the leveled cost of constructing additional reservoir storage capacity. Second, by passing those costs to GCAM, GLORY enables the exploration of future regional reservoir expansion pathways and their response to climate and socioeconomic drivers. To guide the model toward reasonable reservoir expansion pathways, GLORY applies a diverse array of feasibility constraints related to protected land, population, water sources, and cropland. Finally, the GLORY–GCAM feedback loop allows evolving water demands from GCAM to inform GLORY, resulting in an updated supply curve at each time step, thus enabling GCAM to establish a more meaningful economic value of water. This study improves our understanding of the sensitivity of reservoir water supply to multiple physical and economic dimensions, such as sub-annual variations in climate conditions and human water demands, especially for basins experiencing socioeconomic droughts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Physical Activity Types and Programs Recommended by Primary Care Providers Treating Adults With Arthritis, DocStyles 2018

Primary care providers (PCPs) can offer counseling to adults with arthritis on physical activity, which can reduce pain and improve physical function, mental health, and numerous other health outcomes. We analyzed cross-sectional 2018 DocStyles data for 1,366 PCPs who reported they always or sometimes recommend physical activity to adults with arthritis. Most PCPs sampled (88.2%) recommended walking, swimming, or cycling; 65.5% did not recommend any evidence-based, arthritis-appropriate physical activity programs recognized by the Centers for Disease Control and Prevention. Opportunities exist for public health awareness campaigns to educate PCPs about evidence-based physical activity programs proven to optimize health for adults with arthritis when more than counseling is needed.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Marrying Quality Assurance with Design Engineering - A Winning Partnership! But, a Cultural Divide?: Preprint

Investors would like to be confident that a PV plant will work as promised before investing large sums of money. Data showing that PV modules can withstand thousands of hours of accelerated testing are a comfort, but are not sufficient. An inability to be confident of every aspect of the system can motivate higher interest rates; high degradation or failure rates can substantially decrease the return on investment and the value of the plant for resale later on. In the end, a winning partnership is obtained when a carefully engineered, durable design is married with a robust quality management system and the marriage is extended across all parts of the value chain. However, this marriage is challenging because of the conventional cultural divide between design engineers and quality management specialists. This paper discusses the motivation for increased emphasis on quality assurance and describes three new standards that detail requirements for a higher level of quality assurance for 1) PV module manufacturing, 2) inverter and other balance-of-systems (BOS) manufacturing, and 3) control of the system installation and operation. The paper concludes with a discussion of the challenges and benefits of marrying the quality assurance program with further optimization of the PV system design.

14 SOLAR ENERGY↗
DOE OSTI2017

Further Development of an ISOCS - based Advanced In Situ Gamma Spectrometry Services Tool for Waste Measurements - 17452

Canberra's In Situ Object Counting System is an established tool used for gamma spectrometry allowing a physical representation of complex geometries and mathematical calculation of the calibration function while avoiding the need for radioisotope standards. The ISOCS Uncertainty Estimator tool can be used to calculate defensible systematic calibration uncertainties. However the uncertainties depend on knowledge of the properties of the item being measured and for poorly characterized materials these can be large, often leading to large costs for waste sentencing. An ISOCS-based advanced in-situ gamma spectrometry services tool has been developed to reduce those uncertainties. This system is based on generating and comparing a range of candidate geometry models that yield figures of merit indicative of improved consistency between modelled data and available diverse measurement data. The approach and results of initial performance testing have previously been published, demonstrating an analysis procedure and enhanced accuracy for measurement of a low density 200 litre waste drum, based on measurements with known sources placed at different positions. It was shown how the accuracy of assay of Am-241 in a light matrix can be significantly improved. Further analysis has now been performed, with reference to measurements of a second drum, containing a standard matrix of higher density, and with a multiple radionuclide line source (Ba-133, Cs-137, Eu-152 and Am-241). These measurements represent a more challenging waste assay scenario, corresponding to potentially much larger assay uncertainties. Our results show how the assay uncertainty can be reduced, by careful application of AIGS, from relative values of the order of 100% to a few 10's of %. Furthermore, we demonstrate, through extended analysis of the test drum data, how an AIGS measurement program can be optimized to reduce the number of required measurement positions substantially. This paper describes these new results with comment on their importance and potential application for real waste assay projects. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

CTF Parallel Performance Improvements

CTF is a modernized version of COBRA-TF (Coolant Boiling in Rod Arrays-Two Fluid), which is a thermal hydraulic (T/H) sub-channel code based on a two-phase, two-fluid model that formulates the conservation equations of mass, energy, and momentum for three fields of vapor, continuous liquid, and entrained liquid droplets. Under the Consortium for Advanced Simulation of Light Water Reactors (CASL) program sponsored by the U.S. Department of Energy, CTF is being further developed and improved for modeling and simulation of light water reactors. The code improvements for predicting T/H responses of pressurized water reactor (PWR) cores are focused on its applications to specific challenge problems deemed significant to the industry, such as departure from nucleate boiling (DNB) and crud-induced power shift. The code is also being used for T/H feedback in normal operating condition depletions in PWR and boiling water reactor designs in the reactor core simulator, Virtual Environment for Reactor Applications Core Simulator (VERA-CS), being developed by CASL. CTF modifications under the CASL program include software optimization, new closure models, and parallelization for modeling full reactor core T/H responses. The purpose of this work was to improve the parallel performance of CTF. CTF was originally parallelized via a domain-decomposition strategy using the Message Passing Interface (MPI), in which the basis of a solution domain was a physical assembly in the model. In other words, a user who wanted to perform a parallel solution with CTF had to provide the code one processor per assembly in the model (e.g., 56 cores for a 56 assembly quarter-core model, or 193 cores for a 193 assembly full-core model). This design was rigid, demanding a very specific number of processors for a model; furthermore, when CTF was run in VERA-CS-which typically uses thousands of processors- many processors sat idle during the CTF solve because CTF was unable to use any more processors than there are physical assemblies. This was not necessarily a problem if the CTF execution speed was very fast, but the average time spent in a CTF solve for prototypical PWR operating conditions was significant (i.e., over 20 % of the simulation wall time was being spent in CTF for a standard core depletion simulation). Larger, more computationally intensive simulations performed in support of the CASL DNB challenge problem demonstrated a need for improvements in this original parallelization approach. The specific goal of this work was to allow CTF to use more processors than there are physical assemblies in the model, which would not only speed up CTF and improve the overall efficiency of VERA-CS but also give users more-flexible options for executing their simulations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Transient Efficiency, Flexibility, and Reliability Optimization of Coal-Fired Power Plants - Final Program Review

This program developed an advanced model-based monitoring and model-predictive control algorithms for a coal fired power plant (CFPP), and deployed these algorithms in a real-time platform to demonstrate performance benefits for transient flexibility and plant operation efficiency. More specifically, the objectives were successfully achieved through a combination of (i) developing a high-fidelity transient plant model in Apros, which was used as a high-fidelity plant simulation between $100-50\% TMCR$ where TMCR denotes the turbine maximum continuous rating, i.e., baseload, (ii) developing a very fast physics-based reduced-order model (ROM) of the plant, which ran more than $100\times$ faster than real-time, enabling its use as real-time embedded model for model-based estimation (MBE) and model predictive control (MPC) (iii) implementing a real-time MBE based on ROM using a robust unscented Kalman filter (UKF) to continuously tune the ROM to match the measurements from high-fidelity Apros plant model despite significant plant-model mismatch, and thus, obtain a Digital Twin of the plant (iv) designing and implementing a real-time MPC with dual objectives of transient plant load tracking with high ramp rates and minimizing coal consumption, i.e., improving plant efficiency in the baseload-partload operation range of $100-50\% TMCR$. Each key element above was developed and tested individually, and has been reported in corresponding Topical Reports. Finally, all the individual elements were integrated in an overall closed-loop system, that was successfully tested in desktop Simulink test harness simulations with ROM or high-fidelity model as the plant. Thereafter, the Simulink implementation was used to auto-generate C-code and deploy as real-time Docker microservice containers in Linux, and validate that they can run in real-time in the hardware-in-the loop (HIL) setup and produce the same results as in Simulink. The results of the integrated simulation tests in Simulink as well as the real-time HIL deployment are documented in this final report, showing good load tracking for load ramps at $3-4\%/min$ ramp rates, and achieving up to $5.5\%$ reduction in coal relative to baseline operation at $50\% TMCR$ load. The desktop and HIL simulations show successful performance of the overall model based estimation and control solution and achieve the key objectives of the program for flexible, efficient and reliable operation of sub-critical coal fired power plants.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2018

Speed Trajectory Optimization for a Heavy-Duty Truck Traversing Multiple Signalized Intersections: A Dynamic Programming Study

This paper explores the fuel savings that can be achieved by optimizing the speed trajectory of a heavy-duty truck traversing a sequence of intersections, under the assumptions that the behavior of the leading traffic and the timing of the traffic lights is known. Specifically, we look at the impact of corridor topology (i.e. green cycle lengths, phase offsets) on the expected fuel savings of the optimized trajectories. This is an important area of research because vehicle-to-vehicle (V2V) and vehicle-to-infrastructure (V2I) technology has the potential to allow autonomous vehicles to reduce fuel consumption, especially in urban and sub-urban driving scenarios. The literature tackles the problem of arterial corridor trajectory optimization, and shows the potential fuel saving benefits. However, previous research focuses primarily on passenger vehicles, and often limits its findings to specific case studies. The main contribution of this paper is to offer an estimate of the fuel saving potential - for heavy-duty trucks and under different corridor characteristics - of optimizing trajectories in an urban arterial with V2V and V21 capabilities.

42 ENGINEERING↗
DOE OSTI2025

Data-Conforming Data-Driven Control: Avoiding Premature Generalizations Beyond Data

Data-driven and adaptive control approaches face the problem of introducing sudden distributional shifts beyond the distribution of data encountered during learning. Therefore, they are prone to invalidating the very assumptions used in their own construction. This is due to the linearity of the underlying system, inherently assumed and formulated in most data-driven control approaches, which may falsely generalize the behavior of the system beyond the behavior experienced in the data. This article seeks to mitigate these problems by enforcing consistency of the newly designed closed-loop systems with data and slowing down any distributional shifts in the joint state-input space. This is achieved through incorporating affine regularization terms and linear matrix inequality constraints to data-driven approaches, resulting in convex semi-definite programs that can be efficiently solved by standard software packages. We discuss the optimality conditions of these programs and then conclude this article with a numerical example that further highlights the problem of premature generalization beyond data and shows the effectiveness of our proposed approaches in enhancing the safety of data-driven control methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Efficient proximal subproblem solvers for a nonsmooth trust-region method

In [R. J. Baraldi and D. P. Kouri, Mathematical Programming, (2022), pp. 1-40], we introduced an inexact trust-region algorithm for minimizing the sum of a smooth nonconvex and nonsmooth convex function. The principle expense of this method is in computing a trial iterate that satisfies the so-called fraction of Cauchy decrease condition—a bound that ensures the trial iterate produces sufficient decrease of the subproblem model. In this paper, we expound on various proximal trust-region subproblem solvers that generalize traditional trust-region methods for smooth unconstrained and convex-constrained problems. We introduce a simplified spectral proximal gradient solver, a truncated nonlinear conjugate gradient solver, and a dogleg method. Finally, we compare algorithm performance on examples from data science and PDE-constrained optimization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

An energy-optimization method to study gel-swelling in confinement

Using our open-source programming environment Morpho, an energy-optimization method is developed to compute equilibrium shapes of an arbitrarily confined swollen hydrogel. The internal strains and contact forces are measured, probing its mechanics.

Joshi, Chaitanya↗
DOE OSTI2023

PRO-X Parallelization Study

The proliferation resistance optimization (PRO-X) program is actively supporting the design of nuclear systems by developing a framework to both optimize the fuel cycle infrastructure for nuclear reactor (including both advanced reactors (ARs) and research reactors (RRs)) and minimize the potential for production of weapons-usable nuclear material (Figure 1). One area of interest is in the impact a modular approach to bulk handling fuel cycle facilities could have on meeting safeguards requirements to identify future areas of growth within the proliferation resistance space. This study evaluates how changing the number of streams within a fuel cycle facility could impact a facilities ability to meet both domestic and international safeguards requirements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Real Time-Optimal Power Flow-Based Distributed Energy Resource Management System (DERMS)

This project aims to promote lab-proven clean energy technology to commercially scalable versions of the technology, integrate the technology with broader systems, provide extended performance data, and validate the manufacturability and reliability of the technology. The lab-proven technology, RT-OPF DERMS, was developed and validated through previous U.S. Department of Energy-funded efforts, including Advanced Research Projects Agency-Energy funding under the Network Optimized Distributed Energy Systems program and Holy-Cross Energy High Impact Project. In the Advanced Research Projects Agency-Energy Network Optimized Distributed Energy Systems project, the RT-OPF DERMS was developed and implemented in multiple hardware platforms, demonstrating its performance and capabilities in the lab and field environments. The technology was also evaluated and matured via a participation in the U.S. Department of Energy I-Corps program, whose goal is to pair teams of researchers with industry mentors for an intensive 2-month training in which the researchers define technology value propositions, conduct customer discovery interviews, and develop viable market pathways for their technologies. These activities indicate the high technology maturity and Technology Readiness Level of the RT-OPF DERMS.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Optimal Membrane Cascade Design for Critical Mineral Recovery Through Logic-based Superstructure Optimization

Critical minerals and rare earth elements play an important role in our climate change initiatives, particularly in applications related with energy storage. Here, we use discrete optimization approaches to design a process for the recovery of Lithium and Cobalt from battery recycling, through membrane separation. Our contribution involves proposing a Generalized Disjunctive Programming (GDP) model for the optimal design of a multistage diafiltration cascade for Li-Co separation. By solving the resulting nonconvex mixed-integer nonlinear program model to global optimality, we investigated scalability and solution quality variations with changes in the number of stages and elements per stage. Results demonstrate the computational tractability of the nonlinear GDP formulation for design of membrane separation processes while opening the door for decom-position strategies for multicomponent separation cascades. Future work aims to extend the GDP formulation to account for stage installation and explore various decomposition techniques to enhance solution efficiency.

Ovalle, Daniel↗