Results for “robust design” — Page 24

DOE OSTI2025

Autonomous Synthesis of Metastable Materials Using a Modular Mixed-Flow Reactor

Understanding and controlling atomic-level processes at solid-liquid interfaces is key to advancing technologies in energy storage, carbon capture, critical element recovery, and materials synthesis. Many of these processes are dominated by the formation of short-lived intermediate precipitates that determine the final properties of synthesized materials. However, studying these intermediates is challenging due to their sensitivity and the reliance on trial-and-error methods. To address this, we developed an automated variable-volume mixed-flow reactor (MFR) to optimize metastable material synthesis and investigate rapid kinetic processes. This state-of-the-art MFR system, paired with an automated modeling framework, enables efficient synthesis and real-time analysis of transient phases. Benchmarking with advanced capabilities, such as wide-/small-angle X-ray scattering, allows us to resolve fast nucleation and growth dynamics that were previously inaccessible. By combining automation, ML-guided optimization, and tailored kinetic modeling, this approach provides a robust platform for improving material design and achieving precise control over solid-liquid reactions.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Development and Validation of a Process Model and Open-Source Process Simulator for Microalgae-Based Tertiary Phosphorus Recovery

Microalgae-based tertiary wastewater treatment has the potential to meet stringent effluent phosphorus limits, with the added benefit of producing a marketable feedstock. However, the lack of validated mechanistic models and their implementation in process simulators have limited the adoption of this technology. In this study, an updated lumped pathway metabolic model (Phototrophic-Mixotrophic Process Model, PM 2 ), including both photoautotrophic and heterotrophic metabolisms of microalgae, was developed to predict effluent phosphorus concentration and biomass yield in response to dynamic influent and varying environmental conditions. The model was implemented in QSDsan – an open-source, Python-based design and simulation platform – for robust simulation under uncertainty. A global sensitivity analysis was performed to prioritize model parameters for calibration. The model was then calibrated and validated using batch experimental data and 45 days of continuous online monitoring data from a full-scale (568 m 3 ·d -1 ) microalgae-based tertiary wastewater treatment plant (EcoRecover process). In particular, along with dynamic influent composition, temperature and light intensity data with diel variation were provided as model inputs to reflect the microalgal behavior under day-night cycling. Overall, the QSDsan-based microalgae process simulator was able to predict effluent phosphorus within 0.02–0.04 mg-P·L -1 , while also capturing the general trends of state variables according to nutrient availability.

Lumped pathway metabolic model↗

DOE OSTI2020

A new approach for measuring the carbon and oxygen content of atmospherically relevant compounds and mixtures

Abstract. Due to its complexity, gas- and particle-phase organic carbon in the atmosphere is often classified by its bulk physicochemical properties. However, there is a dearth of robust, moderate-cost approaches to measure the bulk chemical composition of organic carbon in the atmosphere. This is particularly true for the degree of oxygenation, which critically affects the properties and impacts of organic carbon but for which routine measurement approaches are lacking. This gap has limited the understanding of a wide range of atmospheric components, including particulate matter, the mass of which is monitored worldwide due to its health and environmental effects but the chemical characterization of which requires relatively high capital costs and complex operation by highly trained technical personnel. In this work, we demonstrate a new approach to estimate the mass of carbon and oxygen in analytes and mixtures that relies only on robust, moderate-cost detectors designed for use with gas chromatography. Organic compounds entering a flame ionization detector were found to be converted with approximately complete efficiency to CO2, which was analyzed downstream using an infrared detector to measure the mass of carbon analyzed. The ratio of the flame ionization detector (FID) signal generated to CO2 formed (FID∕CO2) was shown to be strongly correlated (R2=0.89) to the oxygen-to-carbon ratio (O∕C) of the analyte. Furthermore, simple mixtures of analytes behaved as the weighted average of their components, indicating that this correlation extends to mixtures. These properties were also observed to correlate well with the sensitivity of the FID estimated by structure activity relationships (quantified as the relative effective carbon number). The relationships between measured FID∕CO2, analyte O∕C, and FID sensitivity allow the estimation of one property from another with <15 % error for mixtures and <20 % error for most individual analytes. The approach opens the possibility of field-deployable, autonomous measurement of the carbon and oxygen content of particulate matter using time-tested, low-maintenance detectors, though such an application would require some additional testing on complex mixtures. With some instrumental modifications, similar measurements on gas-phase species may be feasible. Moreover, the potential expansion to additional gas chromatography detectors may provide concurrent measurement of other elements (e.g., sulfur, nitrogen).

42 ENGINEERING↗

DOE OSTI2026

Development and Validation of Low-Cost, High-Reflectance Composite CSP Facets: SIPS Final Report

This work investigates the various challenges associated with developing heliostat structural composite facets using 1 mm glass mirrors. Such facets are desirable for Concentrating Solar Power because 1 mm glass mirrors provide an absolute increase in reflectivity of 2-3 % over the industry standard of 4 mm glass mirrors. Prototypes of paraboloid composite facets with 1 mm glass mirrors were constructed that have a root mean square slope error on the order of 2 mrad while achieving greater than 96% reflectivity. These facets were constructed using a low-quality aluminum mold and a bill of materials that show potential to achieve cost parity with existing 4 mm glass mirrors supported by structural steel. The facets produced were able to survive up to 50 mm hail ball impacts and were robust against accelerated environmental cycling designed to expose durability concerns. Further work is needed to develop a scalable and cost-effective manufacturing process with a similar bill of materials.

14 SOLAR ENERGY↗

DOE OSTI2023

A geospatial risk analysis graphical user interface for identifying hazardous chemical emission sources

Background: Performing back trajectory and forward trajectory using the Hybrid Single-Particle Lagrangian Integrated Trajectory Model (HYSPLIT) is a reliable approach for assessing particle transport after release among mid-field atmospheric models. HYSPLIT has an externally facing online interface that allows non-expert users to run the model trajectories without requiring extensive training or programming. However, the existing HYSPLIT interface is limited if simulations have a large amount of meteorological data and timesteps that are not coincident. The objective of this study is to design and develop a more robust tool to rapidly evaluate hazard transport conditions and to perform risk analysis, while still maintaining an intuitive and user-friendly interface. Methods: HYSPLIT calculates forward and backward trajectories of particles based on wind speed, wind direction, and the corresponding location, timestamp, and Pasquill stability classes of the regions of the atmosphere in terms of the wind speed, the amount of solar radiation, and the fractional cloud cover. The computed particle transport trajectories, combined with the online Proton Transfer Reaction-Mass Spectrometry (PTR-MS) data (https://figshare.com/articles/dataset/ARL_Data_from_PROS_station_at_Hanford_site/19993964), can be used to identify and quantify the sources and affected area of the hazardous chemicals’ emission using the potential source distribution function (PSDF). PSDF is an improved statistical function based on the well-known potential source contribution function (PSCF) in establishing the air pollutant source and receptor relationship. Performing this analysis requires a range of meteorological and pollutant concentration measurements to be statistically meaningful. The existing HYSPLIT graphical user interface (GUI) does not easily permit computations of trajectories of a dataset of meteorological data in high temporal frequency. To improve the performance of HYSPLIT computations from a large dataset and enhance risk analysis of the accidental release of material at risk, a geospatial risk analysis tool (GRAT-GUI) is created to allow large data sets to be processed instantaneously and to provide ease of visualization. Results: The GRAT-GUI is a native desktop-based application and can be run in any Windows 10 system without any internet access requirements, thus providing a secure way to process large meteorological datasets even on a standalone computer. GRAT-GUI has features to import, integrate, and convert meteorological data with various formats for hazardous chemical emission source identification and risk analysis as a self-explanatory user interface. The tool is available at https://figshare.com/articles/software/GRAT/19426742.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Considerations for Managing DOE Standard Canisters within an Over-canister as Part of an Integrated Waste Management System PPT

To better enable informed decision making regarding the back-end of the nuclear fuel cycle, the Integrated Waste Management Program within the U.S. Department of Energy, Office of Nuclear Energy (DOE-NE) has been sponsoring research into a comprehensive integrated waste management system (IWMS) that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). An important aspect of the IWMS is DOE-managed Spent Nuclear Fuel (SNF). DOE and its predecessor agencies have generated, transported, received, stored, and reprocessed SNF at DOE facilities nationwide, and DOE is responsible for managing the SNF currently in its possession. These fuels come from a wide range of reactor types that employ various cladding materials, fuel materials, and enrichments. To enable interim, road-ready dry storage (RRDS) of the wide variety of SNF types found in the DOE inventory, a standardized canister system (i.e., the DOE Standard Canister) was proposed for the packaging demonstration. This robust, welded canister system is designed to confine radionuclides, prevent criticality by precluding content moderation, and satisfy other requirements as part of a larger storage, transportation, and disposal system. While SNF has yet to be loaded into a DOE Standard Canister, DOE Standard Canister designs were included in past storage facility and disposal facility design licensing endeavors. In a renewed effort to evaluate packaging SNF at Idaho National Laboratory (INL) in a RRDS configuration, researchers are planning the RRDS Packaging Demonstration. This demonstration is supplemented by analytical structural, criticality, and material compatibility evaluations that support management of SNF in DOE Standard Canisters, taking advantage of past analysis work to the extent possible. One of the largest differences between the current Packaging Demonstration and past analytical evaluations is the inclusion of an over-canister containing multiple DOE Standard Canisters. For the Packaging Demonstration, DOE Standard Canisters loaded with SNF are planned to be placed in a larger diameter over-canister. The sealed over-canister could then be placed in a storage overpack for onsite storage, or in a transportation overpack for shipment to an offsite storage location or disposal site once one becomes available. This paper examines the relevant considerations and provides a preliminary evaluation of integrating the over-canister configuration into the storage, transportation, and disposal processes of the overall waste management system. For storage and transportation, the over-canister can be considered analogous to a multi-purpose canister (MPC) for commercial SNF. For disposal, the DOE Standard Canisters could be removed from the over-canister and placed in a co-disposal waste package with canisters containing vitrified high-level radioactive waste (HLW) similar to configurations examined previously, or the sealed over-canisters might be capable of direct disposal in a waste package.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Modeling Heat Pipes with Non-Condensable Gases

The report showcases advancements in modeling heat pipes, considering both scenarios with and without non-condensable gases. To achieve this, two distinct modeling approaches are juxtaposed. Firstly, the effective conduction model, implemented in the MOOSE-based code Sockeye, is employed. Secondly, a first-of-a-kind two-phase Euler-Euler Computational Fluid Dynamics (CFD) model is developed using the STAR-CCM+ code. Both models undergo validation against experimental data, acknowledging the inherent uncertainties associated with each modeling assumption. Interestingly, the non-tuned CFD model surpasses the performance of the calibrated conduction model for heat pipes operating under both conditions: with and without non-condensable gases. It's worth noting, however, that the CFD models entail significantly longer runtimes compared to the conduction models. Nevertheless, the insights garnered from the CFD model shed invaluable light on the intricate operational dynamics of heat pipes. Future work involves broadening the validation scope of these models and continuing their development to enhance their utility as robust tools for heat pipe design and operational support.

42 ENGINEERING↗

DOE OSTI2023

Considerations for Managing DOE Standard Canisters within an Over-canister as Part of an Integrated Waste Management System

To better enable informed decision making regarding the back end of the nuclear fuel cycle, the Integrated Waste Management Program within the U.S. Department of Energy, Office of Nuclear Energy (DOE-NE) has been sponsoring the research into a comprehensive integrated waste management system (IWMS) that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). An important aspect of the IWMS is DOE-managed SNF. DOE and its predecessor agencies have generated, transported, received, stored, and reprocessed SNF at DOE facilities nationwide, and DOE is responsible for managing the SNF currently in its possession. These fuels come from a wide range of reactor types that employ various cladding materials, fuel materials, and enrichments. To enable interim, road-ready dry storage (RRDS) of the wide variety of SNF types found in the DOE inventory, a standardized canister system (i.e., the DOE Standard Canister) was proposed. This robust, welded canister system is designed to confine radionuclides, prevent criticality by precluding content moderation, and satisfy other requirements as part of a larger storage, transportation, and disposal system. While SNF has yet to be loaded into a DOE Standard Canister, DOE Standard Canister designs were included in past storage facility and disposal facility design licensing endeavors. In a renewed effort to evaluate packaging SNF at Idaho National Laboratory (INL) in a RRDS configuration, researchers are planning the RRDS Packaging Demonstration. This demonstration is supplemented by analytical structural, criticality, and material compatibility evaluations that support management of SNF in DOE Standard Canisters, taking advantage of past analysis work to the extent possible. One of the largest differences between the current Packaging Demonstration and past analytical evaluations is the inclusion of an over-canister containing multiple DOE Standard Canisters. For the Packaging Demonstration, DOE Standard Canisters loaded with SNF are planned to be placed in a larger diameter over-canister. The sealed over-canister could then be placed in a storage overpack for onsite storage, or in a transportation overpack for shipment to an offsite storage location or disposal site once one becomes available. This paper examines the relevant considerations and provides a preliminary evaluation of integrating the over-canister configuration into the storage, transportation, and disposal processes of the overall waste management system. For storage and transportation, the over-canister can be considered analogous to a multi-purpose canister (MPC) for commercial SNF. For disposal, the DOE Standard Canisters could be removed from the over-canister and placed in a co-disposal waste package with canisters containing vitrified HLW similar to configurations examined previously, or the sealed over-canisters might be capable of direct disposal in a waste package.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Chemical Interaction of Palladium in Uranium Oxycarbide Nuclear Fuel Kernel

Chemical Interaction of Palladium in Uranium Oxycarbide Nuclear Fuel Kernel Jana Howard1,3, Guang Yang3, Haiyan Zhao1*, Patrick Warren4, Tiankai Yao3, Steven Cavazos4 Elizabeth Sooby Wood4*, Ching-heng Shiau2 1 University of Idaho, Environmental Science, Idaho Falls, Idaho, USA 2 Boise State University, Microscopy and Characterization Suite, Idaho Falls, Idaho, USA 3 Idaho National Laboratory, Idaho Falls, Idaho, USA 4 University of Texas San Antonio, Department of Physics and Astronomy, San Antonio, Texas, USA *Corresponding author: haiyanz@uidaho.edu; elizabeth.soobywood@utsa.edu Tri-structural Isotropic (TRISO) particle fuel is the preferred choice for the newest and next-generation high-temperature nuclear reactors due to its robust construction [1]. The fuel design effectively contains fission products inside the particle at extremely high temperatures [2]. However, the effect of transition metal fission products on fuel performance and structural integrity remains largely unknown, creating uncertainties in predicting fuel performance and potential failure mechanisms [2]. For example, palladium (Pd) has a strong tendency to form intermetallic phases with uranium (U). These new phases tend to be hard and brittle which could lead to fracture of fuel kernel during irradiation [3,4]. Pd is not normally produced in high concentrations in normal fission reactions however, driving the production of Pd into the locality of a Uranium Oxycarbide (UCO) nuclear fuel provides an opportunity to closely observe the diffusion and chemical interactions. This study focuses on detailed transmission electron microscopy characterization of the intermetallic phases formed by the interaction between a UCO kernel and a Pd bar after annealing at 1100 °C for 100 hours. Figure 1 provides an overview of the UCO kernel in contact with the Pd bar. The UCO-Pd sample surface was examined using a Focused Ion Beam (FIB) Quanta 3D FEG FEI in VCD detector mode at 10kV, 83pA to reveal surface features. Several key surface features in the interaction region were observed including: (1) a small area with dendritic microstructure, (2) color contrast near the UCO kernel and Pd boundary, and (3) darker and lighter regions throughout the sample surface. To analyze diffusion behavior, FIB was used to prepare lamellae from five different areas of the UCO-Pd sample, as well as one for the as-received sample. These lamellae were examined using a Scanning Transmission Electron Microscope ThermoFisher Spectra 300 (STEM-Spectra). Energy Dispersive Spectroscopy results confirmed the diffusion between the UCO fuel and Pd bar. Figure 2 shows the identified phases of UC, UO2, and Pd dispersed throughout the interaction region. It was also found that the Pd concentration decreases as the radial distance from the UCO-Pd interface increases. The Pd concentration was 36.93% atomic fraction 11µm from the interaction region then decreased to 7.51% atomic fraction at 257 µm away from the interaction region. Figure 3 shows how concentrations of U and Pd vary across the interaction zone, highlighting the extent of diffusion. This study confirms that Pd interacts with surrounding material to form U-Pd phase and diffusion zones. These diffusion zones vary in composition depending on its radial distance from the point of contact with the Pd bar. These findings contribute to a deeper understanding of the fission product behavior in high temperature nuclear fuels, aiding in the prediction and mitigation of potential fuel degradation mechanisms. A B C Fig. 1. SEM micrographs of UCO fuel kernel in contact with solid Pd bar and the lift out locations. Figure 1A shows UCO fuel kernel in contact with solid Pd bar. Figure 1B shows a higher magnification image of the UCO fuel-Pd interaction zone. Figure 1C shows lift out sites for the lamellae. A B C Fig 2. EDS maps reveal the distribution of U, O, and Pd in location 3. Figure 2A shows the distribution of uranium. Figure 2B shows the distribution of oxygen. Figure 2C shows the distribution of palladium. A B C Fig 3. Palladium and uranium concentration across interaction zone in location 2. Figure 3A shows EDS map of lift out number 2. Figure 3B shows a zoomed in EDS map taken from the interaction zone. Figure 3C shows a line graph of uranium and palladium concentrations across the interaction zone. References: 1. B.E. Wells, N.R. Phillips, K.J. Geelhood. Pacific West Laboratory. (2021). TRISO Fuel: Properties and Failure Modes. https://www.nrc.gov/docs/ML2117/ML21175A152.pdf (Accessed January 16, 2025). 2. American Nuclear Society. TRISO Fuel Development Progresses in INL, ORNL. https://www.gen-4.org/gif/upload/docs/application/pdf/2014-03/nov13nn_fuel_reprint.pdf (Accessed January 16, 2025) 3. Clark R.A., M.A. Con

36 - MATERIALS SCIENCE↗

DOE OSTI2025

Chemical Interaction of Palladium in Uranium Oxycarbide Nuclear Fuel Kernel

Chemical Interaction of Palladium in Uranium Oxycarbide Nuclear Fuel Kernel Jana Howard1,3, Guang Yang3, Haiyan Zhao1*, Patrick Warren4, Tiankai Yao3, Steven Cavazos4 Elizabeth Sooby Wood4*, Ching-heng Shiau2 1 University of Idaho, Environmental Science, Idaho Falls, Idaho, USA 2 Boise State University, Microscopy and Characterization Suite, Idaho Falls, Idaho, USA 3 Idaho National Laboratory, Idaho Falls, Idaho, USA 4 University of Texas San Antonio, Department of Physics and Astronomy, San Antonio, Texas, USA *Corresponding author: haiyanz@uidaho.edu; elizabeth.soobywood@utsa.edu Tri-structural Isotropic (TRISO) particle fuel is the preferred choice for the newest and next-generation high-temperature nuclear reactors due to its robust construction [1]. The fuel design effectively contains fission products inside the particle at extremely high temperatures [2]. However, the effect of transition metal fission products on fuel performance and structural integrity remains largely unknown, creating uncertainties in predicting fuel performance and potential failure mechanisms [2]. For example, palladium (Pd) has a strong tendency to form intermetallic phases with uranium (U). These new phases tend to be hard and brittle which could lead to fracture of fuel kernel during irradiation [3,4]. Pd is not normally produced in high concentrations in normal fission reactions however, driving the production of Pd into the locality of a Uranium Oxycarbide (UCO) nuclear fuel provides an opportunity to closely observe the diffusion and chemical interactions. This study focuses on detailed transmission electron microscopy characterization of the intermetallic phases formed by the interaction between a UCO kernel and a Pd bar after annealing at 1100 °C for 100 hours. Figure 1 provides an overview of the UCO kernel in contact with the Pd bar. The UCO-Pd sample surface was examined using a Focused Ion Beam (FIB) Quanta 3D FEG FEI in VCD detector mode at 10kV, 83pA to reveal surface features. Several key surface features in the interaction region were observed including: (1) a small area with dendritic microstructure, (2) color contrast near the UCO kernel and Pd boundary, and (3) darker and lighter regions throughout the sample surface. To analyze diffusion behavior, FIB was used to prepare lamellae from five different areas of the UCO-Pd sample, as well as one for the as-received sample. These lamellae were examined using a Scanning Transmission Electron Microscope ThermoFisher Spectra 300 (STEM-Spectra). Energy Dispersive Spectroscopy results confirmed the diffusion between the UCO fuel and Pd bar. Figure 2 shows the identified phases of UC, UO2, and Pd dispersed throughout the interaction region. It was also found that the Pd concentration decreases as the radial distance from the UCO-Pd interface increases. The Pd concentration was 36.93% atomic fraction 11µm from the interaction region then decreased to 7.51% atomic fraction at 257 µm away from the interaction region. Figure 3 shows how concentrations of U and Pd vary across the interaction zone, highlighting the extent of diffusion. This study confirms that Pd interacts with surrounding material to form U-Pd phase and diffusion zones. These diffusion zones vary in composition depending on its radial distance from the point of contact with the Pd bar. These findings contribute to a deeper understanding of the fission product behavior in high temperature nuclear fuels, aiding in the prediction and mitigation of potential fuel degradation mechanisms. A B C Fig. 1. SEM micrographs of UCO fuel kernel in contact with solid Pd bar and the lift out locations. Figure 1A shows UCO fuel kernel in contact with solid Pd bar. Figure 1B shows a higher magnification image of the UCO fuel-Pd interaction zone. Figure 1C shows lift out sites for the lamellae. A B C Fig 2. EDS maps reveal the distribution of U, O, and Pd in location 3. Figure 2A shows the distribution of uranium. Figure 2B shows the distribution of oxygen. Figure 2C shows the distribution of palladium. A B C Fig 3. Palladium and uranium concentration across interaction zone in location 2. Figure 3A shows EDS map of lift out number 2. Figure 3B shows a zoomed in EDS map taken from the interaction zone. Figure 3C shows a line graph of uranium and palladium concentrations across the interaction zone. References: 1. B.E. Wells, N.R. Phillips, K.J. Geelhood. Pacific West Laboratory. (2021). TRISO Fuel: Properties and Failure Modes. https://www.nrc.gov/docs/ML2117/ML21175A152.pdf (Accessed January 16, 2025). 2. American Nuclear Society. TRISO Fuel Development Progresses in INL, ORNL. https://www.gen-4.org/gif/upload/docs/application/pdf/2014-03/nov13nn_fuel_reprint.pdf (Accessed January 16, 2025) 3. Clark R.A., M.A. Con

36 - MATERIALS SCIENCE↗

DOE OSTI2026

Advancing the HERO WEC Through Integrated Modeling, Testing, and Field Deployments: Preprint

The Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC) was developed by the National Laboratory of the Rockies as a modular platform for advancing wave-powered desalination technologies. Designed to operate in either a hydraulic or electric configuration, the system enables direct comparison of mechanical-to-water and electrical-to-water conversion pathways using a single hardware architecture. Deployments at the Jennette's Pier test site in 2022 and 2024 demonstrated freshwater production between 60 and 300 gallons per day, including successful operation in wave heights as low as 0.25 m. A structured evaluation approach combining numerical modeling of hydrodynamic and PTO response, controlled laboratory testing, and in-ocean field deployments has been used to characterize and refine system performance. Insights from these efforts are now informing the second-generation HERO WEC (V2), which incorporates improved drivetrain components, refined geometry, enhanced control systems, and design updates aimed at increasing robustness and long-duration survivability. The HERO WEC platform continues to serve as an open-access research asset supporting broader marine energy and desalination development.

16 TIDAL AND WAVE POWER↗

DOE OSTI2021

All-Digital Plug and Play Passive RFID Sensors for Energy Efficient Building Control

This is the final report for the project “All-Digital Plug and Play Passive RFID Sensors for Energy Efficient Building Control”, funded by DOE, and performed by Clemson University, Phase IV Engineering and Harvard University from October 1, 2016 to December 31, 2020. The main objective of this project is to develop, demonstrate and pre-commercialize a novel, plug & play, battery-free, wireless sensor technology to enable low-cost (<$10 per node) indoor and outdoor temperature and humidity measurement for energy efficient building controls and operations. The proposed technology is based on the novel concept of all-digital sensing and its seamless integration with the passive RFID technology. This project focuses on the design, fabrication, material optimization, interrogation electronics, validation, and demonstration of the novel sensor nodes for building applications. The specific objectives of this research program include: (1) Design, fabricate and optimize a compact, robust, and high-resolution digitizer, which could convert rotation angle into digital numbers. (2) Develop the multi-physics-based modeling and simulation of the temperature/humidity transducer to derive a rational design of the architecture, dimension, structure, materials (i.e., mechanical, electrical, thermal and hygroscopic) properties and functions of the sensor node. (3) Design, fabricate and optimize the bi-material based humidity sensitive coil which could linearly transduce the environmental relative humidity variations to rotation angles. (4) Design, fabricate and optimize an UHF RFID platform which could support long-range passive wireless communications of 8-bit digital numbers. (5) Design, fabricate and optimize the miniaturized all-digital sensor using MEMS technology. (6) Validate the integrated all-digital sensing system in a real building environment to test the system’s performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Enabling Innovation in Wind Turbine Design Using Artificial Intelligence

The Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements (INTEGRATE) project is developing a new inverse-design capability for wind turbine rotors using invertible neural networks. This artificial intelligence (AI)-based technology can capture complex nonlinear aerodynamic effects 100 times faster than alternative design approaches.

aerodynamics↗

DOE OSTI2022

Enabling Innovation in Wind Turbine Design Using Artificial Intelligence

The Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements (INTEGRATE) project is developing a new inverse-design capability for wind turbine rotors using invertible neural networks. This artificial intelligence (AI)-based technology can capture complex nonlinear aerodynamic effects 100 times faster than alternative design approaches.

aerodynamics↗

DOE OSTI2023

Calibration strategy of the PROSPECT-II detector with external and intrinsic sources

This paper presents an energy calibration scheme for an upgraded reactor antineutrino detector for the Precision Reactor Oscillation and Spectrum Experiment (PROSPECT). The PROSPECT collaboration is preparing an upgraded detector, PROSPECT-II (P-II), to advance capabilities for the investigation of fundamental neutrino physics, fission processes and associated reactor neutrino flux, and nuclear security applications. P-II will expand the statistical power of the original PROSPECT (P-I) dataset by at least an order of magnitude. The new design builds upon previous P-I design and focuses on improving the detector robustness and long-term stability to enable multi-year operation at one or more sites. The new design optimizes the fiducial volume by elimination of dead space previously occupied by internal calibration channels, which in turn necessitates the external deployment. In this paper, we describe a calibration strategy for P-II. Here, the expected performance of externally deployed calibration sources is evaluated using P-I data and a well-benchmarked simulation package by varying detector segmentation configurations in the analysis. The proposed external calibration scheme delivers a compatible energy scale model and achieves comparable performance with the inclusion of an additional AmBe neutron source, in comparison to the previous internal arrangement. Most importantly, the estimated uncertainty contribution from the external energy scale calibration model meets the precision requirements of the P-II experiment.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Machine Learning for the Discovery, Design, and Engineering of Materials

Machine learning (ML) has become a part of the fabric of high-throughput screening and computational discovery of materials. Despite its increasingly central role, challenges remain in fully realizing the promise of ML. This is especially true for the practical acceleration of the engineering of robust materials and the development of design strategies that surpass trial and error or high-throughput screening alone. Depending on the quantity being predicted and the experimental data available, ML can either outperform physics-based models, be used to accelerate such models, or be integrated with them to improve their performance. We cover recent advances in algorithms and in their application that are starting to make inroads toward ( a) the discovery of new materials through large-scale enumerative screening, ( b) the design of materials through identification of rules and principles that govern materials properties, and ( c) the engineering of practical materials by satisfying multiple objectives. We conclude with opportunities for further advancement to realize ML as a widespread tool for practical computational materials design.

Chemistry↗

DOE OSTI2020

A systems engineering vision for floating offshore wind cost optimization

The U.S. offshore wind resource potential is immense, and often in close proximity to densely-populated coastal load centers. In many U.S. coastal areas, water depths favor the deployment of floating over fixed-bottom offshore wind technology. Floating offshore wind plants have the potential to be cost-competitive with fixed-bottom installations, but because the technology has not yet been deployed at commercial scale, it is not clear when and with what configurations this potential cost parity can be achieved. This article first reviews the state of floating offshore wind technology and deployments to identify key gaps that must be addressed to bring down the overall cost of energy produced. The article then puts forth a long-term vision for a research program and design methodology that may be able to push floating wind plants toward a lower levelized cost of energy than fixed-bottom offshore wind. The method involves a fully integrated systems-engineering and techno-economic design approach to capture the complex interactions between the physics, manufacturing, installation, and operation of floating wind turbines to achieve transformational cost reductions. The approach also envisions multifidelity and uncertainty management strategies to examine the most robust and viable concepts in the design trade-space. To better focus the computational resources, engineering lessons learned from existing offshore wind systems and concept studies are used to develop a set of criteria that can be applied to prefilter candidate technology building blocks that have the greatest cost reduction potential.

17 WIND ENERGY↗

DOE OSTI2022

Machine Learning on a Robotic Platform for the Design of Polymer–Protein Hybrids

Polymer–protein hybrids are intriguing materials that can bolster protein stability in non-native environments, thereby enhancing their utility in diverse medicinal, commercial, and industrial applications. One stabilization strategy involves designing synthetic random copolymers with compositions attuned to the protein surface, but rational design is complicated by the vast chemical and composition space. Here, a strategy is reported to design protein-stabilizing copolymers based on active machine learning, facilitated by automated material synthesis and characterization platforms. The versatility and robustness of the approach is demonstrated by the successful identification of copolymers that preserve, or even enhance, the activity of three chemically distinct enzymes following exposure to thermal denaturing conditions. Although systematic screening results in mixed success, active learning appropriately identifies unique and effective copolymer chemistries for the stabilization of each enzyme. Overall, this work broadens the capabilities to design fit-for-purpose synthetic copolymers that promote or otherwise manipulate protein activity, with extensions toward the design of robust polymer–protein hybrid materials.

36 MATERIALS SCIENCE↗