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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

HPC Software Verification in Action: A Case Study with Tensor Transposition

As HPC platforms get increasingly complex, the complexity of software optimized for these platforms has also increased. There is a pressing need to ensure correctness of scientific applications to enhance our confidence in the results they produce. In this paper, we focus on checking the correctness of libraries providing a small but important functionality— tensor transposition—used in computational chemistry applications. While several correctness tools have been developed and deployed, there are several practical challenges in using them to verify production HPC software. We present our experiences using two tools—CIVL and CodeThorn—in checking the correctness of two index permutation libraries.

Model checking, equivalence checking, index permut↗
DOE OSTI2022

ADAM: A web platform for graph-based modeling and optimization of supply chains

Modeling and optimization are essential tasks that arise in the analysis and design of supply chains (SCs). SC models are essential for understanding emergent behavior such as transactions between participants, inherent value of products exchanged, as well as impact of externalities (e.g., policy and climate) and of constraints. Unfortunately, most users of SC models have limited expertise in mathematical optimization, and this hinders the adoption of advanced decision-making tools. Here, in this work, we present ADAM, a web platform that enables the modeling and optimization of SCs. ADAM facilitates modeling by leveraging intuitive and compact graph-based abstractions that allow the user to express dependencies between locations, products, and participants. ADAM model objects serve as repositories of experimental, technology, and socio-economic data; moreover, the graph abstractions facilitate the organization and exchange of models and provides a natural framework for education and outreach. Here, we discuss the graph abstractions and software design principles behind ADAM, its key functional features and workflows, and application examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Optimizing Perovskite Thin‐Film Parameter Spaces with Machine Learning‐Guided Robotic Platform for High‐Performance Perovskite Solar Cells

Abstract Simultaneously optimizing the processing parameters of functional thin films remains a challenge. The design and utilization of a fully automated platform called SPINBOT is presented for the engineering of solution‐processed functional thin films. The SPINBOT is capable of performing experiments with high sampling variability through the unsupervised processing of hundreds of substrates with exceptional experimental control. Through the iterative optimization process enabled by the Bayesian optimization (BO) algorithm, the SPINBOT explores an intricate parameter space, continuously improving the quality and reproducibility of the produced thin films. This machine learning (ML)‐guided reliable SPINBOT platform enables the acceleration of the optimization process of perovskite solar cells via a simple photoluminescence characterization of films. As a result, this study arrives at an optimal film that, when processed into a solar cell in an ambient atmosphere, immediately yields a champion power conversion efficiency (PCE) of 21.6% with satisfactory performance reproducibility. The unsealed devices retain 90% of their initial efficiency after 1100 h of continuous operation at 60–65 °C under metal‐halide lamps. It is anticipated that the integration of robotic platforms with the intelligent algorithm will facilitate the widespread adoption of effective autonomous experimentation to address the evolving needs and constraints within the materials science research community.

14 SOLAR ENERGY↗
DOE OSTI2017

REopt: A Platform for Energy System Integration and Optimization

REopt is a techno-economic decision support model used to optimize energy systems for buildings, campuses, communities, and microgrids. The primary application of the model is for optimizing the integration and operation of behind-the-meter energy assets. This report provides an overview of the model, including its capabilities and typical applications; inputs and outputs; economic calculations; technology descriptions; and model parameters, variables, and equations. The model is highly flexible, and is continually evolving to meet the needs of each analysis. Therefore, this report is not an exhaustive description of all capabilities, but rather a summary of the core components of the model.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Gaussian process regression for radiological contamination mapping- Applied to optimal motion planning for mobile sensor platforms [Slides]

Want to achieve best representative characterization of the entire area efficiently and accurately-Unmanned aerial/ground vehicles (UAV/UGVs) for contamination mapping. Some major challenges include: Limited battery life (move smart), Human operated (fully autonomous controls) and Many measurements (predictive mapping capabilities). The objective: Develop fully autonomous controls for mobile sensor platforms to improve efficiency and maintain performance.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2017

Methodology for optimizing composite towers for use on floating wind turbines

In this work, a methodology for the design and optimization of a composite wind turbine tower for use on a floating offshore platform is presented. A composite turbine tower on a floating offshore platform not only has the potential to reduce maintenance and upkeep costs associated with the use of steel offshore but also has potential to reduce the tower mass and subsequently the support platform mass. The optimization problem is formulated to obtain a turbine tower that meets all strength and serviceability criteria and minimizes the tower mass. The optimization and design process link a number of dynamic analyses and finite element routines using a genetic algorithm. This work documents the optimization and design software and illustrates its use in various case studies for a 6 MW floating wind turbine system. Case studies include the optimization of a steel tower as a comparison to a composite material tower and the use of a cored, sandwich panel composite tower versus a solid composite tower. The results demonstrate that significant reductions in the tower mass are likely when comparing a steel tower with a composite tower. Also demonstrated for the platform and turbine configuration considered in this work is that the minimum mass tower design is driven towards a solid shell composite configuration, rather than a sandwich panel tower shell, in the face of reasonable design constraints.

17 WIND ENERGY↗
DOE OSTI2024

Autonomous Synthesis of Thin Film Materials with Pulsed Laser Deposition Enabled by In Situ Spectroscopy and Automation

Autonomous systems that combine synthesis, characterization, and artificial intelligence can greatly accelerate the discovery and optimization of materials, however platforms for growth of macroscale thin films by physical vapor deposition techniques have lagged far behind others. Here this study demonstrates autonomous synthesis by pulsed laser deposition (PLD), a highly versatile synthesis technique, in the growth of ultrathin WSe 2 films. Further, by combing the automation of PLD synthesis and in situ diagnostic feedback with a high-throughput methodology, this study demonstrates a workflow and platform which uses Gaussian process regression and Bayesian optimization to autonomously identify growth regimes for WSe 2 films based on Raman spectral criteria by efficiently sampling 0.25% of the chosen 4D parameter space. With throughputs at least 10x faster than traditional PLD workflows, this platform and workflow enables the accelerated discovery and autonomous optimization of the vast number of materials that can be synthesized by PLD.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Model based co-simulation platform for integrated building system control and design optimization

Both steady-state and dynamic simulations have been widely used by HVAC&R industry to support product/equipment development for decades. Steady-state simulation focuses on the system mass, energy and momentum balance of an equilibrium state. It is based on high-fidelity components models, and thus is suitable for system and component design optimization. Dynamic simulation studies the system transient response and is generally used for controls development and verification. It usually does not require rigorous component models of high accuracy because 1) the commonly used PID control is feedback control whose control performance evaluation doesn’t require high fidelity system/plant model; 2) high-fidelity dynamic model significantly increases the number of equations and variables and creates tremendous challenge for math solver. For supervisory control, transactive control or optimization of an integrated building system, the HVAC&R equipment is often one of the sub-components to be controlled. High-fidelity equipment models are required for accurately evaluating control strategies. In addition, building equipment manufacturers have developed a lot of high-fidelity steady-state equipment/component models per their expertise. Thus, a platform that can integrate OEM high-fidelity steady-state model with dynamic building simulation and/or electric power system & grid simulation to support the development and verification of supervisory control for integrated building systems is necessary. In this study, ORNL’s heat pump design tool (HPDM) is utilized to develop a co-simulation platform for supervisory control and optimization in integrated building systems. It is based on a model that integrates high-fidelity steady-state simulation equipment models with dynamic building simulation. A practical case of using the proposed co-simulation platform to develop and evaluate the supervisory control and optimization is presented and discussed.

Sun, Jian↗
DOE OSTI2023

Volt/VAR Optimization (VVO) Application on GridAPPS-D Platform

There is a large increment in the distributed energy resources (DERs) installation and deployments of smart sensing devices and communication infrastructure; hence, the power distribution network is swiftly evolving from a passive network to an active network. This motivates the development of advanced applications to operate power distribution systems for higher efficiency and reliability. These advanced applications are model-based and data-driven. This requires an advanced distribution management system (ADMS) to provide required data for the optimal operation of the distribution systems by coordinating various grid controllable devices. In this paper a Volt-VAR optimization (VVO) application to coordinate the grid’s legacy and new voltage control devices for conservation voltage reduction (CVR) is deployed on the GridAPPS-D platform (an open-source platform ) for ADMS application development. The VVO application is validated for various operating conditions on using modified IEEE 8500-node distribution test feeders. Further, the application is successfully deployed on the GridAPPS-D platform.

Jha, Rahul↗
DOE OSTI2023

Energy I-Corps 2023: Distributed Wind Energy Toolkit

This presentation covers the purpose and scope of an Energy I-Corps project focused on refining a suite of analytical tools designed to support distributed wind deployment. These tools - the Distributed Generation Market Demand (dGen), Distributed Wind Tools Assessing Performance (TAP), and the Hybrid Optimization and Performance Platform (HOPP) - combine to provide users with the ability to simulate consumer purchasing behavior, accurately assess wind resource to better predict turbine performance, and effectively design and optimize hybrid systems that include distributed wind.

deployment↗
DOE OSTI2026

SAIGE-GPU: accelerating genome- and phenome-wide association studies using GPUs

Genome-wide association studies (GWAS) at biobank scale are computationally intensive, especially for admixed populations requiring robust statistical models. SAIGE is a widely used method for generalized linear mixed-model GWAS but is limited by its CPU-based implementation, making phenome-wide association studies impractical for many research groups. We developed SAIGE-GPU, a GPU-accelerated version of SAIGE that replaces CPU-intensive matrix operations with GPU-optimized kernels. The core innovation is distributing genetic relationship matrix calculations across GPUs and communication layers. Applied to 2068 phenotypes from 635 969 participants in the Million Veteran Program, including diverse and admixed populations, SAIGE-GPU achieved a 5-fold speedup in mixed model fitting on supercomputing infrastructure and cloud platforms. We further optimized the variant association testing step through multi-core and multi-trait parallelization. Deployed on Google Cloud Platform and Azure, the method provided substantial cost and time savings. Source code and binaries are available for download at https://github.com/saigegit/SAIGE/tree/SAIGE-GPU-1.3.3. A code snapshot is archived at Zenodo for reproducibility (DOI: [10.5281/zenodo.17642591]). SAIGE-GPU is available in a containerized format for use across HPC and cloud environments and is implemented in R/C++ and runs on Linux systems.

Rodriguez, Alex [Argonne National Laboratory (ANL)↗
DOE OSTI2022

E-transit-bench: simulation platform for analyzing electric public transit bus fleet operations

When electrified transit systems make grid aware choices, improved social welfare is achieved by reducing grid stress, reducing system loss, and minimizing power quality issues. Electrifying transit fleet has numerous challenges like non availability of buses during charging, varying charging costs and so on, that are related the electric grid behavior. However, transit systems do not have access to the information about the co-evolution of the grid's power flow and therefore cannot account for the power grid's needs in its day-to-day operation. In this paper we propose a framework of transportation-grid co-simulation, analyzing the spatio-temporal interaction between the transit operations with electric buses and the power distribution grid. Real-world data for a day's traffic from Chattanooga city's transit system is simulated in SUMO and integrated with a realistic distribution grid simulation (using GridLAB-D) to understand the grid impact due to transit electrification. Charging information is obtained from the transportation simulation to feed into grid simulation to assess the impact of charging. We also discuss the impact to the grid with higher degree of transit electrification that further necessitates such an integrated transportation-grid co-simulation to operate the integrated system optimally. Our future work includes extending the platform for optimizing the charging and trip assignment operations.

Sen, Rishav↗
DOE OSTI2024

A mixed integer linear programming approach for the design of chemical process families

Tackling climate change goals requires widespread deployment of process technology variants across many decentralized sites with different geographical, environmental, and operational requirements. Conventional engineering approaches focus on unique designs for each installation (process variant), while missing opportunities for manufacturing standardization. Here, instead we seek to optimize a process platform of common unit designs while simultaneously designing an entire family of process variants that make use of that platform. This reduces engineering effort, deployment timelines, and manufacturing costs. We propose a nonlinear generalized disjunctive programming formulation and convert this to an efficient mixed-integer linear programming (MILP) formulation through discretization of the design space. We formulate our optimization in Pyomo with costing from IDAES, and we demonstrate the computational performance and solution quality on a water treatment desalination system from the PARETO framework and a carbon capture system built in Aspen Plus as part of CCSI2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Characterization and Optimization of Building Blocks for Specialized Computing Platforms

As noise limits the performance of quantum processors, the ability to characterize this noise and develop methods to overcome it is essential for the future of quantum computing. In this report, we develop a complete set of tools for improving quantum processor performance at the application level, including low-level physical models of quantum gates, a numerically efficient method of producing process matrices that span a wide range of model parameters, and full-channel quantum simulations. We then provide a few examples of how to use these tools to study the effects of noise on quantum circuits.

42 ENGINEERING↗
DOE OSTI2018

Elucidating the potential of crude cell extracts for producing pyruvate from glucose

Abstract Living systems possess a rich biochemistry that can be harnessed through metabolic engineering to produce valuable therapeutics, fuels and fine chemicals. In spite of the tools created for this purpose, many organisms tend to be recalcitrant to modification or difficult to optimize. Crude cellular extracts, made by lysis of cells, possess much of the same biochemical capability, but in an easier to manipulate context. Metabolic engineering in crude extracts, or cell-free metabolic engineering, can harness these capabilities to feed heterologous pathways for metabolite production and serve as a platform for pathway optimization. However, the inherent biochemical potential of a crude extract remains ill-defined, and consequently, the use of such extracts can result in inefficient processes and unintended side products. Herein, we show that changes in cell growth conditions lead to changes in the enzymatic activity of crude cell extracts and result in different abilities to produce the central biochemical precursor pyruvate when fed glucose. Proteomic analyses coupled with metabolite measurements uncover the diverse biochemical capabilities of these different crude extract preparations and provide a framework for how analytical measurements can be used to inform and improve crude extract performance. Such informed developments can allow enrichment of crude extracts with pathways that promote or deplete particular metabolic processes and aid in the metabolic engineering of defined products.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Spatially Adaptive Tunable Lighting Control System with Expanded Wellness and Energy Saving Benefits

Lighting design is becoming increasingly complex, including active dimming for energy savings and spectral tuning for human wellbeing. Modern commercial lighting control systems are already difficult to use, and maintain, and even with so-called Smart Lighting, optimizing light settings is rapidly exceeding the capabilities of direct human control, limiting the adoption of lighting control systems. The growing importance of Occupancy Centric Controls (OCC) for advanced building management systems can be applied to the development of autonomous lighting system controls needed to drive the adoption of advanced lighting controls for improved adaptive “sculpted illumination” for both greater energy savings and broader human wellbeing perspectives. This project, led by Rensselaer Polytechnic Institute, entitled “Spatially adaptive tunable lighting control system with expanded wellness and energy saving benefits” will develop and test an entirely new platform for automated optimized lighting design and control that requires little or no human engagement, yet contours lighting profiles automatically to minimize lighting energy use. We call this approach to lighting control “dynamic light sculpting” since the right amount of illumination is automatically delivered to occupants in real time. Since the system uses new, privacy-preserving occupant position and pose detection technologies developed by Rensselaer for broad OCC building applications, the control system will analyze how to deliver the right amount of the right type of illumination only where and when it is needed based these OCC platforms. To create these powerful autonomous lighting control platforms, the project will integrate evolving augmented reality (AR) and virtual reality (VR) tools with sophisticated lighting and interior design toolkits to create interactive lighting design and control simulators. Using the quickly growing paradigm of digital twins, these tools will integrate light fixture properties, occupancy sensor data, interior design data, and lighting specifications to accurately visualize how various design concepts interact with simulated yet realistic human activities that occur in commercial office buildings of various types. These advanced digital twin design and simulation tools will be combined with a new class of digitally-programmable LED lighting fixtures that can dynamically change the spectral content and direction of light emission. When fully integrated, the new autonomous lighting control system will take all of the guesswork out of optimizing light quality while minimizing energy consumption. Digital twin tools will simplify the design, installation, commissioning, operation, and maintenance of future energy-efficient lighting systems. It should be possible to reduce lighting energy costs from 40% to 70% with OCC based dynamic light sculpting systems. The work will be led by the Center for Lighting Enabled Systems and Applications (LESA) and the Center for Architectural Science and Ecology (CASE), both at Renssealer Polytechnic Institute; Lumileds, a global leader in the development of advanced LED systems; and HKS, a leading global architecture design firm. This interdisciplinary project team’s experience includes all of the design simulation tools, VR/AR digital twin visualization technology, advanced occupancy sensing technology, and complex control system design capabilities that will revolutionize lighting design and control technology to autonomously deliver high-quality lighting that improves human health and wellbeing while simultaneously maximizing lighting energy savings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Development and Experimental Optimization of High-Temperature Modeling Tools and Methods for Concentrated Solar Power Particle - Systems

A novel, open-source radiative modeling toolset was developed to extend the functionality of particle-based modeling software (e.g. discrete element method (DEM)) to environmental conditions relevant to concentrated solar power applications. This toolset was optimized for deployment on desktop workstations instead of high-performance computing systems, to render such tools more accessible to the research community. Both particle-based modeling and radiative exchange modeling are computationally expensive and often require specialized programming expertise, making these methods cumbersome to use. Recent developments in DEM software by DCS Computing have greatly reduced these challenges, providing a graphical-user-interface based platform and modeling optimization for desktop workstations, HPCs, and cloud computing. The University of Dayton leveraged the experience of DCS Computing in developing a user-friendly, open-source radiative heat transfer expansion for DEM modeling. The University of Dayton DEM+ radiative modeling toolset was developed using a combination of fundamental experimental measurements, modeling, and simplified flow experiments over a range of temperatures and flow conditions. The toolset provides researchers with access to multiple radiative models including an accelerated Monte-Carlo Ray Tracing (application agnostic, highly computationally expensive), an expanded database of distance-based approximations (application limited, computationally light), and a weighted blending of the two methods capable of achieving over 90% reduction in computation time with equivalent accuracy compared to Monte-Carlo Ray Tracing. Through a graphical user interface, users can customize the radiative models to match their desired accuracy and available computational resources, improving access to particle based modeling for the research community. Ceramic sintered bauxite proppants were used in modeling and experimentally as a baseline. Both the radiative heat transfer and flow properties for particulate systems were investigated at elevated temperatures up to 800 °C. The major accomplishments for this work include a verified, open-source radiative modeling toolset to be distributed amongst the research community and the fabrication of three small-scale test facilities to investigate particle behavior and tune DEM flow properties for operation up to 800 °C. The findings have been shared with the research community via conference modeling workshops, deployment of the tools in DCS Computing Aspherix®, and open-source access to the developed radiative modeling tool. The development of next-generation CSP facilities and thermal energy storage systems based on ceramic particles requires providing access to computationally efficient and accurate modeling tools. Particles will experience a wide range of environments (20-800 °C) and handling conditions (dilute curtains or dense packing), requiring specially designed and optimized equipment. Optimizing solid particle physics models and establishing best-practices for particle modeling in CSP environments will assist researchers with designing optimized equipment, accelerating the deployment of more economically-competitive CSP facilities.

14 SOLAR ENERGY↗