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Results for “Optimal experimental design”

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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Design optimization of gap distance for the capillary limitation of a heat pipe with annular-type wick structure

In this study, an experimental investigation was conducted on the rising height and contact angle of fluid in an annular wick-type heat pipe. The annular wick-type heat pipe was characterized by a small gap between the wick structure and tube wall, which compensated for the pressure drop along the porous media and created additional capillary force. To describe and model the advantage of this gap, the rising of a wetting liquid in the gap between a vertical solid plate and a mesh (with a small angle between them) was experimentally measured and analyzed. An additional experiment was performed to investigate the effect of curvature on the capillary rise using tubes and meshes of varying radii. Resultantly, we confirmed that the linear combination of the contact angles of the solid plate and mesh could be applied to calculate the rising height from the Laplace–Young equation. Furthermore, the effect of curvature on the rising height of the liquid was negligible. These results were extended to the investigation of finding the optimal gap distance for the annular wick-type heat pipe by referring to previous studies. We observed that a gap distance of 1.27 mm provided the largest permeability (K) over the effective pore radius (r eff ) value for a heat pipe with ethanol, which in turn resulted in the highest capillary limitation. For a sodium heat pipe, a gap distance of 0.84 mm resulted in the highest capillary limitation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Multi-Scale Modeling and Prototype Development for Electrochemical CO2 Reduction (CRADA Final Report)

In this CRADA project, Lawrence Livermore National Laboratory, Stanford University, SLAC National Laboratory, and TotalEnergies collaboratively executed a multidisciplinary investigation of electrochemical reduction of CO2 to produce sustainable fuels and chemicals. Overall, the project led to an increased understanding of the fundamental processes involved in CO2 electrolysis, from the atomistic scale to the full electrolyzer device scale, ultimately leading to design guidelines for CO2 electrolyzers that will help in their future commercialization. As the model systems, Ag- and Cu-based catalysts were investigated in various forms depending on the electrochemical platform that was utilized to study the activity, selectivity, and durability towards electrochemical CO2 reduction. By employing experimental, theoretical, and computational techniques, the project team experimentally validated multi-physics models, evaluated the experimental levers that lead to increased electrolyzer reaction selectivity and energy efficiency, and used computational optimization to design higher performance electrodes. The learnings of this project were extensively documented in publicly available peer-reviewed journal publications and conference presentations, which serve as a foundation for further work to build from.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A buffering heat exchanger/thermal energy storage system for desalination applications

A buffering heat exchanger/thermal energy storage (BHXTES) system was designed using a fast-response phase-change material/graphite foam (PCM/GF) medium for desalination and potentially other industrial applications. Unlike a store-now-and-use-later TES system, this study focused on developing a dynamically balanced, continuously used, system that optimized three functions. A lab-scale prototype was designed and fabricated with a PureTemp 151/GF storage medium. The experimental data showed excellent thermal performance repeatability indicating minimal effects of PCM expansion and contraction on the GF as well as negligible PCM redistribution effects. The experimental data also served as a validation of the numerical model of the BHXTES system, after which optimization of the BHXTES system was conducted through numerical simulations for both PureTemp 151/GF and solar salt/GF as the storage medium. The results show that, with a Therminol 55 heat transfer fluid, continuous operation of the system can be realized with a solar energy source through cycles of 8-h changing for desalination and energy storage with the supplied heat followed by 16-h discharging for desalination with the stored energy. As a result, the working fluid outlet temperatures are generally in the ranges of approximately 128–160 °C for a PureTemp 151/GF medium and 198–220 °C for a solar salt/GF medium.

Buffering↗
NASA NTRS2017

X-57 Power and Command System Design

This paper describes the power and command system architecture of the X-57 Maxwell flight demonstrator aircraft. The X-57 is an experimental aircraft designed to demonstrate radically improved aircraft efficiency with a 3.5 times aero-propulsive efficiency gain at a "high-speed cruise" flight condition for comparable general aviation aircraft. These gains are enabled by integrating the design of a new, optimized wing and a new electric propulsion system. As a result, the X-57 vehicle takes advantage of the new capabilities afforded by electric motors as primary propulsors. Integrating new technologies into critical systems in experimental aircraft poses unique challenges that require careful design considerations across the entire vehicle system, such as qualification of new propulsors (motors, in the case of the X-57 aircraft), compatibility of existing systems with a new electric power distribution bus, and instrumentation and monitoring of newly qualified propulsion system devices.

electric propulsion↗
DOE OSTI2021

Bidirectional LCC-LCC -Compensated 20 kW Wireless Power Transfer System for Medium-Duty Vehicle Charging

This paper presents the design and demonstration of a bidirectional 20 kW wireless charging system (WCS) with a significantly large airgap (11 inches) and asymmetrical input-output voltage levels. Analytical and experimental sensitivity analyses of the WCS resonant tank were conducted to verify the optimal operating region under the load and frequency variation. The inverter and rectifier were designed with switching components, the charging pads were designed with double-D (DD) coils, and the tuning networks were designed with an LCC-LCC tuning circuit. The grid and vehicle side tuning circuits were designed separately to achieve a ~1:2 gain for the asymmetrical input (800 V dc ) and output (350 V dc ) voltage. The proposed WCS was designed, simulated, and tested to verify the efficiency, power transfer capacity, and sensitivity under load variation. The experimental results show that, at 20-kW output power, the achieved grid to vehicle dc-dc efficiency was 96.1%, and vehicle to grid dc-dc efficiency was 96.2%. The proposed system is the largest-airgap bidirectional WCS with the highest efficiency and power density.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1973

Synthesis of oscillating adaptive feedback systems

A synthesis theory is developed which allows system design to proceed from practical specifications on system command and/or disturbance response to a design which is very nearly optimal in terms of feedback sensor noise effects. The approach taken is to replace the nonlinear element by a mean square error minimizing approximation (dual-input describing function), and then use linear frequency domain synthesis techniques subject to additional constraints imposed by the limit cycle and the approximator. Synthesis techniques are also developed for a similar system using an externally excited oscillating signal with the above approach. The results remove the design of the systems considered from the realm of simulation and experimentation, permitting true synthesis and the optimization that accompanies it.

Smay, J. W.↗
DOE OSTI2021

Isopod (inverse Optimization And Design): Moose-based Application For Performing Inverse Optimization On Multiphysics Modeling And Simulation

ISOPOD (InverSe OPtimizatiOn and Design) will be a MOOSE (Multiphysics Object Oriented Simulation Environment)-based framework which will iteratively estimate the parameters by minimizing the difference between simulated and experimental observables. While inverse optimization has long been used for parameter estimation, the unique feature of ISOPOD is rapid solution of new inverse problems, leading to accelerated Research, Development and Demonstration (RD&D) for complex parameter estimation problems. This will be achieved by extending the software structure of MOOSE to inverse optimization, as well as building on the unique automatic differentiation feature of MOOSE.

Munday, LynnB↗
DOE OSTI2021

Artificial Intelligence for Autonomous Molecular Design: A Perspective

Domain-aware artificial intelligence has been increasingly adopted in recent years to expedite molecular design in various applications, including drug design and discovery. Recent advances in areas such as physics-informed machine learning and reasoning, software engineering, high-end hardware development, and computing infrastructures are providing opportunities to build scalable and explainable AI molecular discovery systems. This could improve a design hypothesis through feedback analysis, data integration that can provide a basis for the introduction of end-to-end automation for compound discovery and optimization, and enable more intelligent searches of chemical space. Several state-of-the-art ML architectures are predominantly and independently used for predicting the properties of small molecules, their high throughput synthesis, and screening, iteratively identifying and optimizing lead therapeutic candidates. However, such deep learning and ML approaches also raise considerable conceptual, technical, scalability, and end-to-end error quantification challenges, as well as skepticism about the current AI hype to build automated tools. To this end, synergistically and intelligently using these individual components along with robust quantum physics-based molecular representation and data generation tools in a closed-loop holds enormous promise for accelerated therapeutic design to critically analyze the opportunities and challenges for their more widespread application. This article aims to identify the most recent technology and breakthrough achieved by each of the components and discusses how such autonomous AI and ML workflows can be integrated to radically accelerate the protein target or disease model-based probe design that can be iteratively validated experimentally. Taken together, this could significantly reduce the timeline for end-to-end therapeutic discovery and optimization upon the arrival of any novel zoonotic transmission event. Our article serves as a guide for medicinal, computational chemistry and biology, analytical chemistry, and the ML community to practice autonomous molecular design in precision medicine and drug discovery.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Toward autonomous design and synthesis of novel inorganic materials

Autonomous experimentation driven by artificial intelligence (AI) provides an exciting opportunity to revolutionize inorganic materials discovery and development. Herein, we review recent progress in the design of self-driving laboratories, including robotics to automate materials synthesis and characterization, in conjunction with AI to interpret experimental outcomes and propose new experimental procedures. We focus on efforts to automate inorganic synthesis through solution-based routes, solid-state reactions, and thin film deposition. In each case, connections are made to relevant work in organic chemistry, where automation is more common. Characterization techniques are primarily discussed in the context of phase identification, as this task is critical to understand what products have formed during synthesis. The application of deep learning to analyze multivariate characterization data and perform phase identification is examined. To achieve “closed-loop” materials synthesis and design, we further provide a detailed overview of optimization algorithms that use active learning to rationally guide experimental iterations. Lastly, we highlight several key opportunities and challenges for the future development of self-driving inorganic materials synthesis platforms.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Room Temperature Characterization of a Magnetic Bearing for Turbomachinery

Open loop, experimental force and power measurements of a three-axis, radial, heteropolar magnetic bearing at room temperature for rotor speeds up to 20,000 RPM are presented in this paper. The bearing, NASA Glenn Research Center's and Texas A&M's third generation high temperature magnetic bearing, was designed to operate in a 1000 F (540 C) environment and was primarily optimized for maximum load capacity. The experimentally measured force produced by one C-core of this bearing was 630 lb. (2.8 kN) at 16 A, while a load of 650 lbs (2.89 kN) was predicted at 16 A using 1D circuit analysis. The maximum predicted radial load for one of the three axes is 1,440 lbs (6.41 kN) at room temperature. The maximum measured load of an axis was 1050 lbs. (4.73 kN). Results of test under rotating conditions showed that rotor speed has a negligible effect on the bearing's load capacity. A single C-core required approximately 70 W of power to generate 300 lb (1.34 kN) of magnetic force. The room temperature data presented was measured after three thermal cycles up to 1000 F (540 C), totaling six hours at elevated temperatures.

Montague, Gerald↗
NASA NTRS2004

Vibration-Based Data Used to Detect Cracks in Rotating Disks

Rotor health monitoring and online damage detection are increasingly gaining the interest of aircraft engine manufacturers. This is primarily due to the fact that there is a necessity for improved safety during operation as well as a need for lower maintenance costs. Applied techniques for the damage detection and health monitoring of rotors are essential for engine safety, reliability, and life prediction. Recently, the United States set the ambitious goal of reducing the fatal accident rate for commercial aviation by 80 percent within 10 years. In turn, NASA, in collaboration with the Federal Aviation Administration, other Federal agencies, universities, and the airline and aircraft industries, responded by developing the Aviation Safety Program. This program provides research and technology products needed to help the aerospace industry achieve their aviation safety goal. The Nondestructive Evaluation (NDE) Group of the Optical Instrumentation Technology Branch at the NASA Glenn Research Center is currently developing propulsion-system-specific technologies to detect damage prior to catastrophe under the propulsion health management task. Currently, the NDE group is assessing the feasibility of utilizing real-time vibration data to detect cracks in turbine disks. The data are obtained from radial blade-tip clearance and shaft-clearance measurements made using capacitive or eddy-current probes. The concept is based on the fact that disk cracks distort the strain field within the component. This, in turn, causes a small deformation in the disk's geometry as well as a possible change in the system's center of mass. The geometric change and the center of mass shift can be indirectly characterized by monitoring the amplitude and phase of the first harmonic (i.e., the 1 component) of the vibration data. Spin pit experiments and full-scale engine tests have been conducted while monitoring for crack growth with this detection methodology. Even so, published data are extremely limited, and the basic foundation of the methodology has not been fully studied. The NDE group is working on developing this foundation on the basis of theoretical modeling as well as experimental data by using the newly constructed subscale spin system shown in the preceding photograph. This, in turn, involved designing an optimal sub-scale disk that was meant to represent a full-scale turbine disk; conducting finite element analyses of undamaged and damaged disks to define the disk's deformation and the resulting shift in center of mass; and creating a rotordynamic model of the complete disk and shaft assembly to confirm operation beyond the first critical concerning the subscale experimental setup. The finite element analysis data, defining the center of mass shift due to disk damage, are shown. As an example, the change in the center of mass for a disk spinning at 8000 rpm with a 0.963-in. notch was 1.3 x 10(exp -4) in. The actual vibration response of an undamaged disk as well as the theoretical response of a cracked disk is shown. Experiments with cracked disks are continuing, and new approaches for analyzing the captured vibration data are being developed to better detect damage in a rotor. In addition, the subscale spin system is being used to test the durability and sensitivity of new NDE sensors that focus on detecting localized damage. This is designed to supplement the global response of the crack-detection methodology described here.

Gyekenyesi, Andrew L.↗
NASA NTRS1985

Optimal design of a thermally stable composite optical bench

The Lidar Atmospheric Sensing Experiment will be performed aboard an ER-2 aircraft; the lidar system used will be mounted on a lightweight, thermally stable graphite/epoxy optical bench whose design is presently subjected to analytical study and experimental validation. Attention is given to analytical methods for the selection of such expected laminate properties as the thermal expansion coefficient, the apparent in-plane moduli, and ultimate strength. For a symmetric laminate in which one of the lamina angles remains variable, an optimal lamina angle is selected to produce a design laminate with a near-zero coefficient of thermal expansion. Finite elements are used to model the structural concept of the design, with a view to the optical bench's thermal structural response as well as the determination of the degree of success in meeting the experiment's alignment tolerances.

Gray, C. E., Jr.↗
DOE OSTI2026

Modeling Single-Crystal Battery Materials: From Fundamental Understanding to Performance Evaluation

The performance of rechargeable batteries is fundamentally influenced by the physicochemical properties and microstructural features of their key material components. Recent experimental advancements have highlighted the potential of single-crystal (SC) morphologies to address inherent limitations of polycrystalline (PC) electrodes and solid-state electrolytes, offering tunable charge transport kinetics and improved cell cycling performance. Here, this review examines how state-of-the-art computational modeling, from atomistic and mesoscale to continuum-level approaches, including machine learning methodologies, has been utilized to investigate the critical factors governing the electrochemical behavior of SC battery materials. We explore how predictive modeling can elucidate the processing–structure–property–performance relationships of SC cathodes, anodes, and solid-state electrolytes, with a focus on unique SC characteristics such as crystallographic anisotropy, size effects, and facet-dependent properties. Additionally, we identify limitations in commonly used modeling techniques and discuss strategies to address these challenges. By integrating high-fidelity simulations with experimental insights, this review aims to outline a clear path for the rational design and optimization of SC battery components, paving the way for accelerated advancements in energy storage technologies.

Materials science↗
DOE OSTI2023

Coupled Lattice Boltzmann Modeling Framework for Pore-Scale Fluid Flow and Reactive Transport

In this paper, we propose a modeling framework for pore-scale fluid flow and reactive transport based on a coupled lattice Boltzmann model (LBM). We develop a modeling interface to integrate the LBM modeling code parallel lattice Boltzmann solver and the PHREEQC reaction solver using multiple flow and reaction cell mapping schemes. The major advantage of the proposed workflow is the high modeling flexibility obtained by coupling the geochemical model with the LBM fluid flow model. Consequently, the model is capable of executing one or more complex reactions within desired cells while preserving the high data communication efficiency between the two codes. Meanwhile, the developed mapping mechanism enables the flow, diffusion, and reactions in complex pore-scale geometries. We validate the coupled code in a series of benchmark numerical experiments, including 2D single-phase Poiseuille flow and diffusion, 2D reactive transport with calcite dissolution, as well as surface complexation reactions. The simulation results show good agreement with analytical solutions, experimental data, and multiple other simulation codes. In addition, we design an AI-based optimization workflow and implement it on the surface complexation model to enable increased capacity of the coupled modeling framework. Compared to the manual tuning results proposed in the literature, our workflow demonstrates fast and reliable model optimization results without incorporating pre-existing domain knowledge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Science acceleration and accessibility with self-driving labs

In the evolving landscape of scientific research, the complexity of global challenges demands innovative approaches to experimental planning and execution. Self-Driving Laboratories (SDLs) automate experimental tasks in chemical and materials sciences and the design and selection of experiments to optimize research processes and reduce material usage. This perspective explores improving access to SDLs via centralized facilities and distributed networks. We discuss the technical and collaborative challenges in realizing SDLs’ potential to enhance human–machine and human–human collaboration, ultimately fostering a more inclusive research community and facilitating previously untenable research projects.

Canty, Richard B. [North Carolina State University↗
DOE OSTI2022

Autonomous design of new chemical reactions using a variational autoencoder

Artificial intelligence based chemistry models are a promising method of exploring chemical reaction design spaces. However, training datasets based on experimental synthesis are typically reported only for the optimal synthesis reactions. This leads to an inherited bias in the model predictions. Therefore, robust datasets that span the entirety of the solution space are necessary to remove inherited bias and permit complete training of the space. In this study, an artificial intelligence model based on a Variational AutoEncoder (VAE) has been developed and investigated to synthetically generate continuous datasets. The approach involves sampling the latent space to generate new chemical reactions. This developed technique is demonstrated by generating over 7,000,000 new reactions from a training dataset containing only 7,000 reactions. The generated reactions include molecular species that are larger and more diverse than the training set.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Reduced-order model to approximate response matrices for filter stack spectrometers

We present a reduced-order model to calculate response matrices rapidly for filter stack spectrometers (FSSs). The reduced-order model allows response matrices to be built modularly from a set of pre-computed photon and electron transport and scattering calculations through various filter and detector materials. While these modular response matrices are not appropriate for high-fidelity analysis of experimental data, they encode sufficient physics to be used as a forward model in design optimization studies of FSSs, particularly for machine learning approaches that require sampling and testing a large number of FSS designs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Comparison of CCM- and CRM-Based Boost Parallel Active Power Decoupler for PV Microinverter

Single-phase inverter or rectifier systems often make use of an active power decoupler (APD) to balance the mismatch between constant dc power and fluctuating ac power. This article deals with the comparison of continuous conduction mode (CCM) and critical conduction mode (CRM) operation-based design of a parallel boost-type APD for photovoltaic microinverter applications. From a design perspective, multiobjective analysis of efficiency, volume, and cost is explored within a decision space including planar inductors, gallium nitride based devices, film capacitors, switching frequency, and modulation (CCM vs. CRM). The theoretical study analyzes all possible design configurations within CCM and CRM and identifies Pareto-optimal designs, from which the selected CRM design can achieve reduced system volume and lower cost with the use of smaller inductor core, while operating with similar California Energy Commission efficiency drop as the selected CCM design. From a control perspective, a pulsewidth modulation based control strategy is proposed to implement closed-loop CRM modulation that does not rely on zero-crossing detection. Furthermore, closed-loop systems are designed for the optimal CCM and CRM realizations, and the final system characteristics are compared. Experimental results, obtained using two separate 40-V, 400-W hardware prototypes for CCM and CRM, are presented to verify the analyses.

42 ENGINEERING↗