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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Data Visualization and Analytics for Optimal Process Parameter Selection in Turning

The objective of this project is to research physics-guided machine learning methods to recommend optimal tools and machining process parameters for turning applications using the MSC test database. For a given turning application, the MSC metalworking specialist needs to make decisions on tools and the associated process parameters for the MSC customer. For a given material, there are many alternatives for tools and a wide range of process parameters to consider. MSC has built a database of tools and parameters for different applications from the historical turning tests completed at various customer sites. The research project aims to use machine learning methods to predict optimal tools and process parameters for the MSC metalworking specialists using the MSC test database. This enables continuous learning of optimal tool and process parameters for different applications as new information is collected from testing. Through MSC, this information can be shared with machining shops across the US leading to improved productivity and efficiency.

42 ENGINEERING↗
DOE OSTI2018

Process synthesis using block superstructure with automated flowsheet generation and optimization

An alternative method for chemical process synthesis using a block–based superstructure representation is proposed. The block–based superstructure is a collection of blocks arranged in a two–dimensional grid. The assignment of different equipment on blocks and the determination of their connectivity are performed using a mixed–integer nonlinear formulation for automated flowsheet generation and optimization–based process synthesis. Based on the special structure of the block representation, an efficient strategy is proposed to generate and successively refine feasible and optimized process flowsheets. Our approach is demonstrated using two process synthesis case studies adapted from the literature and one new process synthesis problem for methanol production from biogas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Stochastic approximation methods-Powerful tools for simulation and optimization: A survey of some recent work on multi-agent systems and cyber-physical systems

Stochastic approximation methods have found extensive and diversified applications. Recent emergence of networked systems and cyber-physical systems has generated renewed interest in advancing stochastic approximation into a general framework to support algorithm development for information processing and decisions in such systems. This paper presents a survey on some recent developments in stochastic approximation methods and their applications. Using connected vehicles in platoon formation and coordination as a platform, we highlight some traditional and new methodologies of stochastic approximation algorithms and explain how they can be used to capture essential features in networked systems. Distinct features of networked systems with randomly switching topologies, dynamically evolving parameters, and unknown delays are presented, and control strategies are provided.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

WE-E-BRE-04: Dual Focal Spot Dose Painting for Precision Preclinical Radiobiological Investigations

Purpose: Recent progress in small animal radiotherapy systems has provided the foundation for delivering the heterogeneous, millimeter scale dose distributions demanded by preclinical radiobiology investigations. Despite advances in preclinical dose planning, delivery of highly heterogeneous dose distributions is constrained by the fixed collimation systems and large x-ray focal spot common in small animal radiotherapy systems. This work proposes a dual focal spot dose optimization and delivery method with a large x-ray focal spot used to deliver homogeneous dose regions and a small focal spot to paint spatially heterogeneous dose regions. Methods: Two-dimensional dose kernels were measured for a 1 mm circular collimator with radiochromic film at 10 mm depth in a solid water phantom for the small and large x-ray focal spots on a recently developed small animal microirradiator. These kernels were used in an optimization framework which segmented a desired dose distribution into low- and high-spatial frequency regions for delivery by the large and small focal spot, respectively. For each region, the method determined an optimal set of stage positions and beam-on times. The method was demonstrated by optimizing a bullseye pattern consisting of 0.75 mm radius circular target and 0.5 and 1.0 mm wide rings alternating between 0 and 2 Gy. Results: Compared to a large focal spot technique, the dual focal spot technique improved the optimized dose distribution: 69.2% of the optimized dose was within 0.5 Gy of the intended dose for the large focal spot, compared to 80.6% for the dual focal spot method. The dual focal spot design required 14.0 minutes of optimization, and will require 178.3 minutes for automated delivery. Conclusion: The dual focal spot optimization and delivery framework is a novel option for delivering conformal and heterogeneous dose distributions at the preclinical level and provides a new experimental option for unique radiobiological investigations. Funding Support: this work is supported by funding the National Sciences and Engineering Research Council of Canada, and a Mitacs-accelerate fellowship. Conflict of Interest: Dr. Lindsay and Dr. Jaffray are listed as inventors of the small animal microirradiator described herein. This system has been licensed for commercial development.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Development and Application of a Risk Analysis Toolkit for Plant Resources Optimization

This report summarizes the R&D activities of the Risk Informed Asset Management (RIAM) project during fiscal year 2020 (FY20). This project focuses on the development of methods designed to optimize plant operations (e.g., maintenance/replacement schedule, optimal maintenance posture) provided system/component health/cost data. This project development lives in cooperation with the Plant Health Management (PHM) project which focuses on the development of methods that integrate component health data and propagate such information at the system level to evaluate most relevant sources of risk. This year’s activities for the RIAM project focused on the continuation of schedule optimization algorithms developed in FY19. While in FY19 we focused on both deterministic and stochastic capital budgeting methods, in FY20 we moved forward by implementing two versions of schedule optimization methods. The first one reformulates the capital budgeting problem in a distributionally robust form which allows the user to rely on data directly rather than proposing a distribution from the data itself. The second version reformulates the capital budgeting explicitly using risk measures as variables to maximize/minimize. Lastly, we focused on the development of methods designed to identify the optimal maintenance posture based on the Pareto Frontier analysis. Rather than performing a tradeoff analysis (i.e., identify the absolute best posture), the Pareto Frontier analysis performs a trade space exploration approach (i.e., identify value and costs of several postures and have the analyst perform the task of imposing desired value and cost constraints). This is performed by identifying maintenance postures that maximize value (e.g., system availability) and minimize operational costs, i.e., the Pareto frontier in a value-cost trade space.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Method and apparatus for in-situ drying investigation and optimization of slurry drying methodology

A method of drying casted slurries that includes calculating drying conditions from an experimental model for a cast slurry and forming a cast film. An infrared heating probe is positioned on one side of the casted slurry and a thermal probe is positioned on an opposing side of the casted slurry. The infrared heating probe may control the temperature of the casted slurry during drying. The casted slurry may be observed with an optical microscope, while applying the drying conditions from the experimental model. Observing the casted slurry includes detecting the incidence of micro-structural changes in the casted slurry during drying to determine if the drying conditions from the experimental model are optimal.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Dose reconstruction for real-time patient-specific dose estimation in CT

Purpose: Many recent computed tomography (CT) dose reduction approaches belong to one of three categories: statistical reconstruction algorithms, efficient x-ray detectors, and optimized CT acquisition schemes with precise control over the x-ray distribution. The latter category could greatly benefit from fast and accurate methods for dose estimation, which would enable real-time patient-specific protocol optimization. Methods: The authors present a new method for volumetrically reconstructing absorbed dose on a per-voxel basis, directly from the actual CT images. The authors’ specific implementation combines a distance-driven pencil-beam approach to model the first-order x-ray interactions with a set of Gaussian convolution kernels to model the higher-order x-ray interactions. The authors performed a number of 3D simulation experiments comparing the proposed method to a Monte Carlo based ground truth. Results: The authors’ results indicate that the proposed approach offers a good trade-off between accuracy and computational efficiency. The images show a good qualitative correspondence to Monte Carlo estimates. Preliminary quantitative results show errors below 10%, except in bone regions, where the authors see a bigger model mismatch. The computational complexity is similar to that of a low-resolution filtered-backprojection algorithm. Conclusions: The authors present a method for analytic dose reconstruction in CT, similar to the techniques used in radiation therapy planning with megavoltage energies. Future work will include refinements of the proposed method to improve the accuracy as well as a more extensive validation study. The proposed method is not intended to replace methods that track individual x-ray photons, but the authors expect that it may prove useful in applications where real-time patient-specific dose estimation is required.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

A Hybrid Method for Tensor Decompositions that Leverages Stochastic and Deterministic Optimization

In this paper, we propose a hybrid method that uses stochastic and deterministic search to compute the maximum likelihood estimator of a low-rank count tensor with Poisson loss via state-of-theart local methods. Our approach is inspired by Simulated Annealing for global optimization and allows for fine-grain parameter tuning as well as adaptive updates to algorithm parameters. We present numerical results that indicate our hybrid approach can compute better approximations to the maximum likelihood estimator with less computation than the state-of-the-art methods by themselves.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

SU-F-BRD-13: Quantum Annealing Applied to IMRT Beamlet Intensity Optimization

Purpose: We report on the first application of quantum annealing (QA) to the process of beamlet intensity optimization for IMRT. QA is a new technology, which employs novel hardware and software techniques to address various discrete optimization problems in many fields. Methods: We apply the D-Wave Inc. proprietary hardware, which natively exploits quantum mechanical effects for improved optimization. The new QA algorithm, running on this hardware, is most similar to simulated annealing, but relies on natural processes to directly minimize the free energy of a system. A simple quantum system is slowly evolved into a classical system, representing the objective function. To apply QA to IMRT-type optimization, two prostate cases were considered. A reduced number of beamlets were employed, due to the current QA hardware limitation of ∼500 binary variables. The beamlet dose matrices were computed using CERR, and an objective function was defined based on typical clinical constraints, including dose-volume objectives. The objective function was discretized, and the QA method was compared to two standard optimization Methods: simulated annealing and Tabu search, run on a conventional computing cluster. Results: Based on several runs, the average final objective function value achieved by the QA was 16.9 for the first patient, compared with 10.0 for Tabu and 6.7 for the SA. For the second patient, the values were 70.7 for the QA, 120.0 for Tabu, and 22.9 for the SA. The QA algorithm required 27–38% of the time required by the other two methods. Conclusion: In terms of objective function value, the QA performance was similar to Tabu but less effective than the SA. However, its speed was 3–4 times faster than the other two methods. This initial experiment suggests that QA-based heuristics may offer significant speedup over conventional clinical optimization methods, as quantum annealing hardware scales to larger sizes.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

Turning statistical physics models into materials design engines

Despite the success statistical physics has enjoyed at predicting the properties of materials for given parameters, the inverse problem, identifying which material parameters produce given, desired properties, is only beginning to be addressed. Recently, several methods have emerged across disciplines that draw upon optimization and simulation to create computer programs that tailor material responses to specified behaviors. However, so far the methods developed either involve black-box techniques, in which the optimizer operates without explicit knowledge of the material's configuration space, or require carefully tuned algorithms with applicability limited to a narrow subclass of materials. Here we introduce a formalism that can generate optimizers automatically by extending statistical mechanics into the realm of design. The strength of this approach lies in its capability to transform statistical models that describe materials into optimizers to tailor them. Here, by comparing against standard black-box optimization methods, we demonstrate how optimizers generated by this formalism can be faster and more effective, while remaining straightforward to implement. The scope of our approach includes possibilities for solving a variety of complex optimization and design problems concerning materials both in and out of equilibrium.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Efficient Synchronization Stability Metrics for Fault Clearing

Direct methods can provide rapid screening of the dynamical security of large numbers fault and contingency scenarios by avoiding extensive time simulation. We introduce a computationally-efficient direct method based on optimization that leverages efficient cutting plane techniques. The method considers both unstable equilibrium points and the effects of additional relay tripping on dynamical security[1]. Similar to other direct methods, our approach yields conservative results for dynamical security, however, the optimization formulation potentially lends itself to the inclusion of additional constraints to reduce this conservatism.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Simultaneous Optimization of Nuclear–Electronic Orbitals

Accurate modeling of important nuclear quantum effects, such as nuclear delocalization, zero-point energy, and tunneling, as well as non-Born-Oppenheimer effects, requires treatment of both nuclei and electrons quantum mechanically. The nuclear–electronic orbital (NEO) method provides an elegant framework to treat specified nuclei, typically protons, on the same level as the electrons. In conventional electronic structure theory, finding a converged ground state can be a computationally demanding task; converging NEO wavefunctions, due to their coupled electronic and nuclear nature, is even more demanding. Herein, we present an efficient simultaneous optimization method that uses the direct inversion in the iterative subspace method to simultaneously converge wavefunctions for both the electrons and quantum nuclei. In conclusion, benchmark studies show that the simultaneous optimization method can significantly reduce the computational cost compared to the conventional stepwise method for optimizing NEO wavefunctions for multicomponent systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Reinforcement Learning-based Traffic Control to Optimize Energy Usage and Throughput (CRADA report)

The US roadways are critical to meeting the mobility and economic needs of the nation. The United States uses 28% of its energy in moving goods and people, with approximately 60% of that utilized by cars, light trucks, and motorcycles. Thus, improved transportation efficiency is vital to America’s economic progress. The increasing congestion and energy resource requirements of transportation systems for metropolitan areas require research in methods to improve and optimize control methods. Coordinating and optimizing traffic in urban areas may introduce hundreds of thousands of vehicles and traffic management systems, which can require high performance computing (HPC) resources to model and manage. In this work, we seek to use machine learning, computer vision, and HPC to improve the energy efficiency aspects of traffic control by leveraging GRIDSMART traffic cameras as sensors for adaptive traffic control, with a sensitivity to the fuel consumption characteristics of the traffic in the camera’s visual field. Traffic control use cases using reinforcement learning have been published and achieved good results. Surveys from DOE national laboratories estimate that the fuel cost of idling is 6 billion gallons wasted annually [Argonne National Laboratory, 2019]. GRIDSMART cameras—an existing, fielded commercial product—sense the presence of vehicles at intersections and replace more conventional sensors (such as inductive loops) to issue calls to traffic control. These cameras, which have horizon-to-horizon view, offer the potential for an improved view of the traffic environment which can be used to generate better control algorithms.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

OPTIMAL CONTROL AND ENERGY-SAVING ANALYSIS OF COMMON PRESSURE RAIL ARCHITECTURES: HHEA & STEAM

In recent years several novel hydraulic architectures have been proposed with the intention of significantly increasing system efficiency. Two of these architectures, Steigerung der Energieeffizienz in der Arbeitshydraulik mobiler Arbeitsmaschinen (STEAM), and the Hybrid Hydraulic-Electric Architecture (HHEA), use a system of multiple common pressure rails (CPRs) to serve the multiple degrees-of-freedom of the machine. The key difference is that STEAM throttles hydraulic power from these rails while HHEA combines electric and hydraulic power to meet actuator demands. As a throttle-less architecture, HHEA is expected to save more energy than STEAM at the expense of added complexity. Therefore, it is useful to quantify this additional energy saving. Both systems have discrete operational choices corresponding to how the CPRs are utilized for each actuator. It is necessary to determine optimal operation for each of these architectures for analysis and fair comparison. Techniques for optimal operation of the HHEA have been developed previously from the Langrange multiplier method. Applying the same optimal control method to STEAM encountered some technical challenge leading to the optimal control algorithm not being able to satisfy certain constraints. The issue is analyzed and solved by adding noise to the optimization. Using this proposed algorithm, case studies are performed to compare the energy-saving potentials of STEAM and HHEA for two sizes of excavators and a wheel-loader performing representative duty cycles. The baseline is a standard load-sensing architecture. Results show that STEAM and HHEA can reduce energy consumption between 35-65% and 50-80% respectively

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

Characterization and analysis of FA x Cs (1- x ) Pb(I y Br (1- y ) ) 3 perovskite solar cells with thickness controlled transport layers for performance optimization

Strong characterization methods are needed to fully comprehend the chemistry and composition of perovskite solar cells. Understanding the interaction between layers inside a cell and how they react with the environment is important to achieve optimum manufacturing processes, and improve efficiency of perovskite solar cells. Here, we probe a hybrid organic-inorganic perovskite cell structure formed by a fluorine-doped tin oxide (FTO), cassiterite (SnO 2 ), mixed halide perovskite, Spiro-OMeTAD and silver layers. We have demonstrated a power conversion efficiency (PCE) greater than 19% and aV oc of more than 1.1 V for a wide-band gap (1.6 eV) perovskite solar cell.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

SU-F-P-06: Moving From Computed Radiography to Digital Radiography: A Collaborative Approach to Improve Image Quality

Purpose: To bring together radiologists, technologists, and physicists to utilize post-processing techniques in digital radiography (DR) in order to optimize image acquisition and improve image quality. Methods: Sub-optimal images acquired on a new General Electric (GE) DR system were flagged for follow-up by radiologists and reviewed by technologists and medical physicists. Various exam types from adult musculoskeletal (n=35), adult chest (n=4), and pediatric (n=7) were chosen for review. 673 total images were reviewed. These images were processed using five customized algorithms provided by GE. An image score sheet was created allowing the radiologist to assign a numeric score to each of the processed images, this allowed for objective comparison to the original images. Each image was scored based on seven properties: 1) overall image look, 2) soft tissue contrast, 3) high contrast, 4) latitude, 5) tissue equalization, 6) edge enhancement, 7) visualization of structures. Additional space allowed for additional comments not captured in scoring categories. Radiologists scored the images from 1 – 10 with 1 being non-diagnostic quality and 10 being superior diagnostic quality. Scores for each custom algorithm for each image set were summed. The algorithm with the highest score for each image set was then set as the default processing. Results: Images placed into the PACS “QC folder” for image processing reasons decreased. Feedback from radiologists was, overall, that image quality for these studies had improved. All default processing for these image types was changed to the new algorithm. Conclusion: This work is an example of the collaboration between radiologists, technologists, and physicists at the University of New Mexico to add value to the radiology department. The significant amount of work required to prepare the processing algorithms, reprocessing and scoring of the images was eagerly taken on by all team members in order to produce better quality images and improve patient care.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

An Augmented Lagrangian Filter Method for Real-Time Embedded Optimization

We present a filter line-search algorithm for nonconvex continuous optimization that combines an augmented Lagrangian function and a constraint violation metric to accept and reject steps. The approach is motivated by real-time optimization applications that need to be executed on embedded computing platforms with limited memory and processor speeds. The proposed method enables primal–dual regularization of the linear algebra system that in turn permits the use of solution strategies with lower computing overheads. We prove that the proposed algorithm is globally convergent and we demonstrate the developments using a nonconvex real-time optimization application for a building heating, ventilation, and air conditioning system. Our numerical tests are performed on a standard processor and on an embedded platform. Lastly, we demonstrate that the approach reduces solution times by a factor of over 1000.

97 MATHEMATICS AND COMPUTING↗