Flexible low-cost platform for beam pattern optimization (Phase I SBIR Final Report)
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32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
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Final Technical Report: Flexible Low-cost Platform for Beam Pattern Optimization
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32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Evaluation of sensor placement algorithms for on-orbit identification of space platforms
Anticipating the construction of the international space station, on-orbit modal identification of space platforms through optimally placed accelerometers is an area of recent activity. Unwanted vibrations in the platform could affect the results of experiments which are planned. Therefore, it is important that sensors (accelerometers) be strategically placed to identify the amount and extent of these unwanted vibrations, and to validate the mathematical models used to predict the loads and dynamic response. Due to cost, installation, and data management issues, only a limited number of sensors will be available for placement. This work evaluates and compares four representative sensor placement algorithms for modal identification. Most of the sensor placement work to date has employed only numerical simulations for comparison. This work uses experimental data from a fully-instrumented truss structure which was one of a series of structures designed for research in dynamic scale model ground testing of large space structures at NASA Langley Research Center. Results from this comparison show that for this cantilevered structure, the algorithm based on Guyan reduction is rated slightly better than that based on Effective Independence.
Glassburn, Robin S.↗
LANL Activities on Mechanistic Approach to Analyzing and Improving Unconventional Hydrocarbon Production
Hydrocarbon production from shale reservoirs is inherently inefficient and challenging since these are low permeability plays. In addition, there is a limited understanding of the fundamentals and the controlling mechanisms, further complicating how to optimize these plays. Herein, we summarize our experimental and computational efforts fully and partially supported by the fundamental shale portfolio to reveal unconventional shale fundamentals and devise development strategies to enhance extraction efficiency with a minimal environmental footprint. Integrating these fundamentals with machine learning, we outline a pathway to improve the predictive power of our models, which enhances the forecast quality of production, thereby improving the economics of operations in unconventional reservoirs. For instance, we have developed science informed workflows and platforms for optimizing pressure-drawdown at a site, which allow operators to make reservoir-management decisions that optimize recovery in consideration of future production. Recently, our work relies on the hybridization of physics-based prediction and machine learning, whereby accurate synthetic data (combined with available site data) can enable the application of machine learning methods for rapid forecasting and optimization. Consequently, the workflow and platform are readily extendable to operations at other sites, plays, and basins.
04 OIL SHALES AND TAR SANDS↗
BuildingIQ Technology Field Validation
This document describes a field validation and verification of the BuildingIQ Predictive Energy Optimization (PEO) technology based on a five-site study. BuildingIQ describes its PEO technology as a software-as-a-service (SaaS) platform that optimizes commercial building HVAC control for system efficiency, occupant comfort, and cost. It is targeted for use in large, complex buildings, and integrates with the building automation system (BAS) to conduct supervisory control. The PEO algorithm defines optimal space air temperature setpoints that are automatically implemented at the variable air volume (VAV) terminal units when possible, or through supply air temperature and duct static pressure setpoints at the air handling unit (AHU) level. The optimization is built upon a learned predictive model that provides a 24-hour ahead forecast of the building’s power profile, using weather forecasts and historical operational data; this model is updated every 4 to 6 hours. Demand-responsive load reductions may also be implemented.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Microfluidic Liquid-Liquid Extraction Chip with Integrated Raman Sensors (Phase I and Phase II Final Report)
As demand for electricity continues to increase worldwide, the world’s nuclear power generating capacity will continue to grow. Nuclear power is the most environmentally benign way of producing electricity on a large scale. The long-term successful use of nuclear power, however, is critically dependent upon adequate and safe processing and disposal of spent nuclear fuels. A very important feature of nuclear energy is that spent fuels can be reprocessed to recover fissile and fertile materials that can then be used as fresh fuel for nuclear power plants. The DOE-NE Fuel Cycle Research and Development (FCR&D) is currently developing nuclear material reprocessing technologies. In a typical nuclear fuel reprocessing system, centrifugal contactors are used as liquid-liquid extraction devices where two immiscible liquids are mixed at high speeds using a rotor, which creates a fine dispersion of droplets of organic phase in an aqueous phase that contains the analyte. Understanding the extraction efficiency at these contactors through modeling and simulation is important in the development of reprocessing technologies and the optimization of current technologies such as the PUREX process. The outcome of this program will be a liquid-liquid microfluidic flow cell chip with embedded spectroscopic sensors for the analysis of extracted analytes. This device will be useful in the optimization of new fuel reprocessing schemes as well as existing reprocessing processes by providing a microfluidic modeling platform to optimize extraction parameters. The Phase I and Phase II work developed a microfluidic chip design that allows integration of Raman and absorption fiber optic probes and successfully demonstrated the feasibility of using Raman and absorption probes to detect key analytes that partition into the aqueous and organic phases.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Autonomous organic synthesis for redox flow batteries via flexible batch Bayesian optimization
Traditional trial-and-error methods for materials discovery are inefficient to meet the urgent demands posed by the rapid progression of climate change. This urgency has driven the increasing interest in integrating robotics and machine learning into materials research to accelerate experimental learning. However, idealized decision-making frameworks to achieve maximum sampling efficiency are not always compatible with high-throughput experimental workflows inside a laboratory. For multi-step chemical processes, differences in hardware capacities can complicate the digital framework by introducing constraints on the maximum number of samples in each step of the experiment, hence causing varying batch sizes in variable selection within the same batch. Therefore, designing flexible sampling algorithms is necessary to accommodate the multi-step synthesis with practical constraints unique to each high-throughput workflow. In this work, we designed and employed three strategies on a high-throughput robotic platform to optimize the sulfonation reaction of redox-active molecules used in flow batteries. Our strategies adapt to the multi-step experimental workflow, where their formulation and heating steps are separate, causing varying batch size requirements. By strategically sampling using clustering and mixed-variable batch Bayesian optimization, we were able to iteratively identify optimal conditions that maximize the yields. Our work presents a flexible approach that allows tailoring the machine learning decision-making to suit the practical constraints in individual high-throughput experimental platforms, followed by performing resource-efficient yield optimization using available open-source Python libraries.
Tamura, Clara [Univ. of Washington, Seattle, WA (U↗
HOMP (Hybrid Operation and Maintenance Platform) [SWR-22-81]
The HOMP software module is contained within NREL's Hybrid Optimization and Performance Platform (HOPP) at this URL: https://github.com/NREL/HOPP/tree/feature/HOMP. HOMP is a python-based software module which can be used concurrently with the Hybrid Optimization and Performance Platform (HOPP) to model, simulate, and optimize degradation, reliability, and operations and maintenance of hybrid power plant components. The program currently models lithium ion battery, PEM electrolyzer, wind turbine, and solar PV array components, which enables users to understand the design and operation tradeoffs of hybrid power plants. For instance, HOMP enables users to answer questions like: how large does a battery bank need to be to achieve optimal charge/discharge rates for performance and reliability? How does plant design change for different objectives (e.g., profit versus resilience)? Under what conditions is it better to produce electricity versus hydrogen? How do we optimally control hybrid power plants to reduce downtime and increase performance?
Clark, Caitlyn↗
Advances in PFAS Monitoring and Remediation Using a Functionalized Material Approach - 20080
The growing global concerns about the effects to public health from human exposure to per- and polyfluoroalkyl substances (PFAS) motivates the development of strategies for reliable monitoring of PFAS in environmental streams, as well as for their rapid, effective removal if detected. For the continuous PFAS monitoring, an inexpensive, field-deployable, in situ sensor is urgently needed; yet the prevalent in situ techniques often struggle to strike a balance between the practical sensitivity and selectivity demands of the real world. Similarly, for effective PFAS removal, strategies for their fast, selective, and quantitative capture are desired, yet the present commercially available sorbents are unable to meet the requirements of rapid, quantitative capture of all PFAS components, and are notably inefficient in removing the more toxic smaller chains. To address these twin challenges, Pacific Northwest National Laboratory is developing strategies for improved detection and remediation of PFAS. For the rapid, selective, quantitative removal of PFAS from environmental streams, the strategy relies on designing capture probes with exclusively tailored electronic and spatial affinities for the PFAS that are able to selectively capture them from environmental streams. For the in situ detection and quantification of PFAS in complex, multicomponent matrices such as groundwater, the approach relies on the targeted capture of specific PFAS by these PFAS-specific capture probes immobilized on a platform. The platform acts as an electrode to directly measure PFAS concentration through a proportional change in electrical response upon their capture. A combination of optimization of platform design and incorporation of additional, sensitive detection modalities have allowed us to achieve detection limits as low as 0.5 ng/L for detection of PFAS compounds (compared to the 70 ng/L Health Advisory Limit of the U.S. Environmental Protection Agency). (authors)
47 OTHER INSTRUMENTATION↗
Plant Reload Optimization (prlo)
The PRLO framework is built on a modular and extensible architecture that tightly couples advanced evolutionary optimization algorithms with nuclear fuel depletion solvers (i.e., nuclear physics neutronics code). It supports exploring complex, high-dimensional design spaces constrained by user-specified operational, safety, and economic constraints. Objectives such as minimizing fresh fuel enrichment, flattening radial and axial power distributions, and maximizing discharge burnup are evaluated. PRLO’s equilibrium cycle optimization capability enables the identification of core configurations that maintain fuel cycle sustainability over extended planning horizons. Its integration with the RAVEN platform facilitates optimization of loading patterns or fuel shuffling schemes across multiple cycles. The interface with SIMULATE, a licensed industry-standard nodal code developed by Studsvik, ensures accurate neutronic and thermal-hydraulic feedback for reactor core design. PRLO’s automated workflow engine supports iterative design refinement, enabling utilities to streamline core design processes and meet evolving performance and regulatory targets.
Kim, Junyung [Idaho National Laboratory] (00090005↗
BuildingIQ Technology Field Validation
This document describes a field validation and verification of the BuildingIQ Predictive Energy Optimization (PEO) technology based on a five-site study. BuildingIQ describes its PEO technology as a software-as-a-service (SaaS) platform that optimizes commercial building HVAC control for system efficiency, occupant comfort, and cost. It is targeted for use in large, complex buildings, and integrates with the building automation system (BAS) to conduct supervisory control. The PEO algorithm defines optimal space air temperature setpoints that are automatically implemented at the variable air volume (VAV) terminal units when possible, or through supply air temperature and duct static pressure setpoints at the air handling unit (AHU) level. The optimization is built upon a learned predictive model that provides a 24-hour ahead forecast of the building’s power profile, using weather forecasts and historical operational data; this model is updated every 4 to 6 hours. Demand-responsive load reductions may also be implemented.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Advances in PFAS Monitoring and Remediation Using a Functionalized Material Approach
The growing global concerns about the effects to public health from human exposure to per- and polyfluoroalkyl substances (PFAS) motivates the development of strategies for reliable monitoring of PFAS in environmental streams, as well as for their rapid, effective removal if detected. For the continuous PFAS monitoring, an inexpensive, field-deployable, in situ sensor is urgently needed; yet the prevalent in situ techniques often struggle to strike a balance between the practical sensitivity and selectivity demands of the real world. Similarly, for effective PFAS removal, strategies for their fast, selective, and quantitative capture are desired, yet the present commercially available sorbents are unable to meet the requirements of rapid, quantitative capture of all PFAS components, and are notably inefficient in removing the more toxic smaller chains. To address these twin challenges, Pacific Northwest National Laboratory is developing strategies for improved detection and remediation of PFAS. For the rapid, selective, quantitative removal of PFAS from environmental streams, the strategy relies on designing capture probes with exclusively tailored electronic and spatial affinities for the PFAS that are able to selectively capture them from environmental streams. For the in situ detection and quantification of PFAS in complex, multicomponent matrices such as groundwater, the approach relies on the targeted capture of specific PFAS by these PFAS-specific capture probes immobilized on a platform. The platform acts as an electrode to directly measure PFAS concentration through a proportional change in electrical response upon their capture. A combination of optimization of platform design and incorporation of additional, sensitive detection modalities have allowed us to achieve detection limits as low as 0.5 ng/L for detection of PFAS compounds (compared to the 70 ng/L Health Advisory Limit of the U.S. Environmental Protection Agency).
Per- and poly-fluorinated alkyl substances (PFAS),↗
Optimization of a Solver for Computational Materials and Structures Problems on NVIDIA Volta and AMD Instinct GPUs
The Scalable Implementation of Finite Elements by NASA (ScIFEN) is a software package developed to solve complex computational materials and structures problems using the finite element method (FEM). In this paper, we describe optimization techniques to speed up the linear solver computation that occurs within the ScIFEN application. We consider GPUs from two different vendors, NVIDIA and AMD as our target platforms for optimization and highlight differences in performance and optimization techniques. The NVIDIA GPU Volta V100 is used in the Summit system deployed at Oak Ridge National Laboratory, and the new exascale system, Frontier, will be using AMD Radeon Instinct GPU. We evaluated the performance of various optimization techniques on test matrices, ranging in size from100K to 4M, that are representative of ScIFEN applications. The linear solver computation is memory-bound on both GPUs. Our experiments show that on the NVIDIA GPU we obtained up to79%of the theoretical peak bandwidth, while the AMD GPU achieved 59%. Overall, the NVIDIA V100 GPU outperforms the AMD MI 25 GPU1. We observed an overall speedup of up to37X on an NVIDIA V100 compared to an Intel Skylake 12-coremachine. The solver for a 4M degree of freedom system took under 2.5 seconds.
Mohammad Zubair↗
Implementation of Topology Optimization Using OpenMDAO
Topology optimization is one of the widely known branches among the structural optimization, and it distinguishes itself by a large design domain and versatility. It can determine the optimal design out of an infinite number of configurations, thereby drawing interest from both industry and academia with regards to its applicability to additive manufacturing. However, its implementation is often a daunting task for engineers in practice. One of the issues is the programming effort required whenever the implementation requires any changes, ranging from subtle tweaks to drastic changes in the problem definition, and the derivative computation must be correspondingly updated after any change. The implementation, therefore, is not only time-consuming but also repetitive and susceptible to human-induced errors. In this regard, topology optimization implementations stand to benefit from reusability, ease of restructuring, and modularity. In this work, we propose OpenMDAO, a computational framework for multidisciplinary design optimization (MDO), as a generic platform for topology optimization. Two widely used topology optimization techniquesâ€"density-based and level-setâ€"are implemented as a demonstration. These techniques are implemented in a decomposed manner, with the aid of the modular architecture of OpenMDAO as well as state-of-the-art numerical methods. Variations on the density-based topology optimization approach are shown to demonstrate the modularity and automation for derivative computation that OpenMDAO provides.
Chung, Hayoung↗
QuAIL Tools for Benchmarking, Analysis and Quantum Algorithm Development
HybridQ and PySA are open-source tools developed by NASA to support benchmarking, analysis and quantum algorithm development in areas such as simulation, optimization and machine learning. These tools leverage classical hardware acceleration via high-performance computing CPU and GPU architectures and support high-performance computing. HybridQ is a highly extensible platform designed to provide a common framework to integrate multiple state-of-the-art techniques to simulate large scale quantum circuits. PySA is an extensible platform to optimize a classical cost function. We provide an outline of each of these open-source tools and highlight projects using each of these tools in contexts of simulation, optimization and machine learning.
Quantum Computing↗
Engineering a Non–Natural Photoenzyme for Improved Photon Efficiency
We developed a novel HTS engineering platform to optimize photoenzymatic activity. The improvements in variants were correlated to an increase in enzymatic photon efficiency. Here, transient absorption spectroscopy revealed a shift from a stepwise to a concerted mechanism. The platform was expanded to improve the synthesis of γ, δ, ϵ-lactams, and acyclic amides.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Exploring performance and energy tradeoffs for irregular applications: A case study on the Tilera many-core architecture
High performance, parallel applications with irregular data accesses are becoming a critical workload class for modern systems. In particular, the execution of such workloads on emerging many-core systems is expected to be a significant component of applications in data mining, machine learning, scientific computing and graph analytics. However, power and energy constraints limit the capabilities of individual cores, memory hierarchy and on-chip interconnect of such systems, thus leading to architectural and software trade-os that must be understood in the context of the intended application’s behavior. Irregular applications are notoriously hard to optimize given their data-dependent access patterns, lack of structured locality and complex data structures and code patterns. We have ported two irregular applications, graph community detection using the Louvain method (Grappolo) and high-performance conjugate gradient (HPCCG), to the Tilera many-core system and have conducted a detailed study of platform-independent and platform-specific optimizations that improve their performance as well as reduce their overall energy consumption. To conduct this study, we employ an auto-tuning based approach that explores the optimization design space along three dimensions - memory layout schemes, GCC compiler flag choices and OpenMP loop scheduling options. We leverage MIT’s OpenTuner auto-tuning framework to explore and recommend energy optimal choices for different combinations of parameters. We then conduct an in-depth architectural characterization to understand the memory behavior of the selected workloads. Finally, we perform a correlation study to demonstrate the interplay between the hardware behavior and application characteristics. Using auto-tuning, we demonstrate whole-node energy savings and performance improvements of up to 49:6% and 60% relative to a baseline instantiation, and up to 31% and 45:4% relative to manually optimized variants.
auto tuning↗
Easy, Scalable Subsetting of GEDI Point Clouds
The GEDI Subsetter, a Python tool developed for NASA’s Multi-mission Algorithm and Analysis Platform (MAAP), optimizes the accessibility and visualization of GEDI point clouds by enabling users to efficiently subset data in a convenient, scalable manner. Complex science data often requires users to learn new software skills and handle many large files. Handling and cleaning large data sets is tedious and error-prone. These challenges significantly impede analysis. One of the goals of NASA's MAAP is to provide a platform that lowers the barrier to conducting research and analysis at scale. When a group of MAAP users wanted to conduct above-ground biomass estimation using GEDI data, we found that their existing workflow for leveraging GEDI data suffered from the barriers mentioned above. Furthermore, their workflow did not scale easily beyond a small number of granules. We found that existing tools related to GEDI data retrieval and subsetting were too limiting, so the GEDI Subsetter was written to support MAAP users’ needs. Being able to run many subsetting jobs simultaneously in the MAAP, and parallelizing the code itself, has led to significant speed improvements in obtaining relevant data, reducing subsetting time from hours to minutes. MAAP users can now more quickly and easily obtain only the data relevant to their research, by choosing which GEDI collection they want to work with (L1A, L2A, L2B, or L4A), and how they want to subset it, by specifying an area of interest, a temporal range, and relevant attributes. This has significantly reduced the feedback loop for users, allowing them to much more quickly subset GEDI data and begin their analysis. Although the GEDI Subsetter originally targeted users of the MAAP, it is generalized such that it can also be used outside of the MAAP and includes a command-line interface for convenience. Furthermore, with minor modifications, it should be possible to use it with non-GEDI data as the general pattern should be applicable to other sparse/track-based sensors.
Charles Daniels↗