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At least 163 records · Page 9

Twinac: initiation of a community-driven accelerator digital twin framework

We present the initiation of a community-driven framework for the integration of accelerator digital twins into control systems: Twinac. Few facilities have fully integrated accelerator digital twins like at Cornell’s CHESS. Many facilities have active research to employ surrogate models to aid in operational decisions like at Argonne’s ALS, MSU’s FRIB, SLAC’s LCLS-II, and Fermilab’s FAST/IOTA, PIP-II, and main complex. To lower the barrier to entry for all accelerator facilities to build and benefit from a digital twin of their own accelerators, we propose the following software framework. Twinac will provide the capability to compose one’s own digital twin using reusable components engineered at other facilities. With this model in place, Twinac will also support tools for (1) predictive maintenance systems; (2) discovery of correlated but uncontrolled environmental factors, like seasonal temperature variations causing performance changes on power supplies, magnets, etc.; and (3) prototyping and updating sophisticated optimization and controls algorithms. The Twinac framework will enable sharing and simplified deployment of modeled components and control algorithms at all facilities. With an inter-facility team to build and support the Twinac framework, it will be easy to publish and try out the latest advancements at one’s own facility.

Miceli, Tia [Fermilab]↗

Route Energy Prediction (RouteE) Powertrain Validation Report

The National Renewable Energy Laboratory's flagship package in the RouteE suite, RouteE-Powertrain, is a mesoscopic energy model that predicts vehicle energy consumption given discrete attributes that describe each segment or link in a vehicle's path on a road network. High-frequency, physics-based, powertrain simulators, such as NREL's FASTSim, are well-suited to model vehicle energy consumption when real driving data and a detailed understanding of the vehicle powertrain specifications are available. However, there are a variety of situations in the past, present (real-time), and future where high-frequency driving data and/or vehicle information may not be available, but reliable energy consumption is still desired, such as energy-aware vehicle routing. These are the ideal applications for RouteE-Powertrain. The suite of RouteE tools also includes RouteE-Compass, which is an eco-routing software that incorporates energy consumption into network routing algorithms, and RouteE-Mobile, which is a prototype smartphone navigation app to demonstrate the integrated capabilities of the RouteE suite for real-world eco-routing. The focus of this validation report is to share key metrics about the data sets and models behind RouteE-Powertrain. The set of RouteE-Powertrain models discussed in this report are made available through the RouteE web API through the NREL Developer Network.

33 ADVANCED PROPULSION SYSTEMS↗

Leveraging the Advantages of Additive Manufacturing to Produce Advanced Hybrid Composite Structures for Marine Energy Systems

Many marine energy systems designers and developers are beginning to implement composite materials into the load-bearing structures of their devices, but traditional mold-making costs for composite prototyping are disproportionately high and lead times can be long. Furthermore, established molding techniques for marine energy structures generally require many manufacturing steps, such as secondary bonding and tooling. This research explores the possibilities of additively manufactured internal composite molds and how they can be used to reduce costs and lead times through novel design features and processes for marine energy composite structures. In this approach, not only can the composite mold be additively manufactured but it can also serve as part of the final load-bearing structure. We developed a conceptual design and implemented it to produce a reduced-scale additive/composite tidal turbine blade section to fully demonstrate the manufacturing possibilities. The manufacturing was successful and identified several critical features that could expedite the tidal turbine blade manufacturing process, such as single-piece construction, an integrated shear web, and embedded root fasteners. The hands-on manufacturing also helped identify key areas for continued research to allow for efficient, durable, and low-cost additive/composite-manufactured structures for future marine energy systems.

16 TIDAL AND WAVE POWER↗

Additive Manufacturing Case Study

Geothermal technologies include an extremely wide range of products required for well construction, completion, production, intervention and surface energy conversion activities. Many of these products are geometrically complex, require multi-step and highly specialized fabrication processes, and are expensive due to the low production numbers typically associated with the geothermal market. These challenges along with the high temperature demands of the geothermal environment have also hindered the adoption of many tools routinely used in the oil & gas industry.Recent advancements in Additive Manufacturing (AM) materials of construction, build volumes and part quality have transitioned the technology from primarily cosmetic prototyping applications to the point where AM can be used to make production parts, even for the most demanding applications. These improved AM capabilities along with the inherent ability of AM to produce complex parts and, in some cases, geometries that cannot be manufactured using conventional casting, machining and joining fabrication approaches motivate an exploration of its potential to positively impact geothermal well construction and operations technologies.Sandia National Labs collaborated with Oak Ridge National Laboratory on a case study examining additive manufacturing opportunities for Geothermal applications. The study focused on designing components with improved performance characteristics that cannot be fabricated conventionally. A rotor for a downhole motor was chosen based on the potential for improving its rotational dynamics. Topology optimization was used as a design method to reduce the rotational inertia of the part while preserving sufficient rotational stiffness to transmit the torque required for the drilling application. The optimization resulted in a nearly 50% reduction in polar moment of inertia while maintaining other desired performance characteristics. The design developed using the topology optimization approach was fabricated using additive manufacturing and cannot be fabricated conventionally. This paper will discuss the design approach, performance improvements and manufacturing methods used to produce the part.

Polsky, Yarom↗

Tidal Turbine Test, Downeast Turbines, July 12, 2021

Downeast Turbines tested a tidal turbine prototype with novel rotor/channel system and lateral effluent discharge apparatus (LEDA), during five days of testing in the flume at Alden Lab. Three days of testing (July 12-14, 2021) focused on turbine power metrics of torque and rpm, which were low, and then two days of follow-up testing (July 27-28, 2021) focused on LEDA performance metrics of pressure differential and rates of volumetric flow, with encouraging results. Next step is to to characterize, and even optimize, configurations of the LEDA, using 3D-CFD as a helpful tool, to refine its shape and explore its limits of performance as a means of effluent discharge that augments performance of an instream turbine. An improved configuration of the LEDA will be re-combined with the rotor/channel system of the turbine prototype, and ultimately, the rotor will be re-sized (enlarged), to better match the LEDA's performance capabilities in drawing through a rate of volumetric flow. This submission is Downeast Turbines' Post Access Report for the test event. It includes the files described here (next below), and several reference links. "Downeast TEAMER-Post-Access-Report...docx" is a document file containing the report. "Appendices A, B, and C" are included in this file, and so are "Figures #1-7." "Appendix D - Test Data Workbooks.zip" is an archive file containing all post access data (raw data tables, calculating tables, and graphs), presented in fourteen Excel workbooks as described in the report. "Appendix E - Post Access Figures.zip" is an archive file containing "Figures #8-52," of the report.

16 TIDAL AND WAVE POWER↗

Liquid Chromatography Coupled to Refractive Index or Mass Spectrometric Detection for Metabolite Profiling in Lysate-based Cell-free Systems

Engineering cellular metabolism for targeted biosynthesis can require extensive design-build-test-learn (DBTL) cycles as the engineer works around the cell's survival requirements. Alternatively, carrying out DBTL cycles in cell-free environments can accelerate this process and alleviate concerns with host compatibility. A promising approach to cell-free metabolic engineering (CFME) leverages metabolically active crude cell extracts as platforms for biomanufacturing and for rapidly discovering and prototyping modified proteins and pathways. Realizing these capabilities and optimizing CFME performance requires methods to characterize the metabolome of lysate-based cell-free platforms. That is, analytical tools are necessary for monitoring improvements in targeted metabolite conversions and in elucidating alterations to metabolite flux when manipulating lysate metabolism. In this work, metabolite analyses using high-performance liquid chromatography (HPLC) coupled with either optical or mass spectrometric detection were applied to characterize metabolite production and flux in E. coli S30 lysates. Specifically, this report describes the preparation of samples from CFME lysates for HPLC analyses using refractive index detection (RID) to quantify the generation of central metabolic intermediates and by-products in the conversion of low-cost substrates (i.e., glucose) to various high-value products. The analysis of metabolite conversion in CFME reactions fed with 13 C-labeled glucose through reversed-phase liquid chromatography coupled to tandem mass spectrometry (MS/MS), a powerful tool for characterizing specific metabolite yields and lysate metabolic flux from starting materials, is also presented. Altogether, applying these analytical methods to CFME lysate metabolism enables the advancement of these systems as alternative platforms for executing faster or novel metabolic engineering tasks.

59 BASIC BIOLOGICAL SCIENCES↗

Multidisciplinary Design, Analysis, and Optimization (MDO) for Co-Designed Transmission & Distribution Electric Grid Planning

This paper describes early experiences and example use cases applying multi-disciplinary design analysis and optimization (MDO) to the integrated design of power grids. Adapted from aerospace, MDO enables combining multiple existing tools into a coordinated optimization. Here we use MDO to simultaneously capture integrated transmission-distribution and investment-engineering trade-offs in an automated framework. Example use cases showcase prototype interactions among existing grid models using MDO and hint at the types of integrated analyses enabled by this approach. In addition, we share experiences and thoughts on grid-specific challenges and opportunities to help advance further work in this area.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Oak Ridge National Laboratory Pilot Demonstration of an Attestation and Anomaly Detection Framework using Distributed Ledger Technology for Power Grid Infrastructure

This report summarizes the design and pilot demonstration of a framework called Grid Guard that was created to provide increased data and device trustworthiness to electric grid devices by leveraging distributed ledger technology (DLT), specifically blockchain. Grid Guard contains a combination of core cryptographic methods such as the secure hash algorithm (SHA), and asymmetric cryptography, private permissioned blockchain, baselining configuration data, consensus algorithm (Raft) and the Hyperledger Fabric (HLF) framework. The system implements a low energy, fast, and robust enhancement to system trustworthiness within and across electric grid systems such as substations, control centers and metering infrastructures. Blockchain is a distributed database structured that provides a practically unalterable (immutable) timeline of stored transactions. By relying on hashing and the Raft consensus algorithm, if an entity tries to illegitimately alter a record at one instance of the database the other ledger nodes are not altered. They work to cross-reference each other and easily locate any incorrectly added data and remove it. The bulk raw data is stored in an off-chain storage (outside of the blockchain ledger) and a hash of this baseline data is stored in the Blockchain ledger via hashing windows of time-series and configuration data, after aggregation and filtering. The bulk off-chain data repository is then considered to be trust-anchored using the hashes stored in the blockchain. To secure the electric grid testbed devices and data, device configuration baselines were compared to those baselines that had been previously stored in the ledger. Statistical baselines for device configurations, network communication patterns, and high-speed sensor data are calculated and then stored off-chain and hashes stored in the ledger. Measurements such as three-phase voltage and current, frequency, breaker status, protection scheme settings, network configuration settings (and other device configuration artifacts) and network traffic features (packet interarrival times) are compared every minute or other selected time windows. During phase 1 of the Grid Guard DLT project different DLT technologies were studies, and an assessment was performed on DLT technology vulnerabilities, uses, and key characteristics. DLT consensus protocols were studies (e.g., RAFT, named after Reliable, Replicated, Redundant, And Fault-Tolerant). Also, cryptography, public, private and permissioned or permissionless systems were assessed. Grid Guard implements a permissioned private DLT. Consensus algorithm selection and choice of DLT implementation depended heavily on the use-case. For this use-case, parameters were selected to measure performance and existing tools for assessment. Benchmarking was performed theoretically and practically. During phase 2 hashed transactions/blocks were inserted into the ledger every second. During phase 2 of the Grid Guard DLT project, a prototype framework was developed and demonstrated for attestation of critical substation devices and data using precision timing systems that use PTP and IRIG-B protocols) on a testbed of operational devices that emulated a distribution substation, control center, and power metering infrastructure using real Operational Technology (OT). The testbed includes OT devices such as protective relays, human machine interfaces (HMI), and power meters. To determine when to collect and compare system and network baselines, an initial examination of an anomaly detection capability to identify malicious manipulation of data streams was conducted. The resulting anomaly detection was demonstrated in a set of experiments and leveraged to trigger device artifact attestation checks. Attestation checks occur against device configuration baselines when compared with the immutable blockchain-stored baselines, which provided a cryptographically supported means by which to store baselines. The electrical substation-grid testbed was created to test the Grid Guard framework. The testbed emulates the operations of a portion of a power grid and SCADA systems as closely as possible. The testbed integrates real protocols, mainly IEC 61850 standard protocols, such as the Sampled Value (SV) and the GOOSE protocols. The testbed also supports DNP3 and other layer 2 and layer 3 protocols such as Telnet, SSH, SFTP/FTP and other proprietary protocols needed to connect to industrial control system equipment. The testbed emulates real power conditions using the OpalRT hardware-in-the-loop (HIL) device which can create fault situations that cannot be easily tested on real systems. The electrical substation-grid testbed was created using real measurement, communication, and protection devices that electrical utilities commonly use.

24 POWER TRANSMISSION AND DISTRIBUTION↗

High-Entropy Borides under Extreme Environment of Pressures and Temperatures

The high-entropy transition metal borides containing a random distribution of five or more constituent metallic elements offer novel opportunities in designing materials that show crystalline phase stability, high strength, and thermal oxidation resistance under extreme conditions. We present a comprehensive theoretical and experimental investigation of prototypical high-entropy boride (HEB) materials such as (Hf, Mo, Nb, Ta, Ti)B2 and (Hf, Mo, Nb, Ta, Zr)B2 under extreme environments of pressures and temperatures. The theoretical tools include modeling elastic properties by special quasi-random structures that predict a bulk modulus of 288 GPa and a shear modulus of 215 GPa at ambient conditions. HEB samples were synthesized under high pressures and high temperatures and studied to 9.5 GPa and 2273 K in a large-volume pressure cell. The thermal equation of state measurement yielded a bulk modulus of 276 GPa, in excellent agreement with theory. The measured compressive yield strength by radial X-ray diffraction technique in a diamond anvil cell was 28 GPa at a pressure of 65 GPa, which is a significant fraction of the shear modulus at high pressures. The high compressive strength and phase stability of this material under high pressures and high temperatures make it an ideal candidate for application as a structural material in nuclear and aerospace fields.

36 MATERIALS SCIENCE↗

Rays for Roots - Integrating Backscatter X-Ray Phenotyping, Modeling and Genetics to Increase Carbon Sequestration and Switchgrass Resource Use (Final Report)

To increase carbon (C) deposition in the soil and enhance crop resource use efficiency, characterizing root form and function is essential. Several root and soil traits have been linked to increased root-to-soil C transfer. Technology that could provide high-resolution characterization of many of these traits in field conditions would revolutionize our ability to study and understand how to increase C sequestration. In this effort, we developed an initial early prototype backscatter X-ray system for non-destructive imaging of root traits. We collected initial backscatter X-ray data in field and lab settings and carried out early analysis of these data. Along with this prototype, we also developed a suite of root phenotyping approaches including advanced minirhizotron image analysis, soil core imaging, and mesocosm imaging. Minirhizotron (MR) tubes are clear tubes inserted into the soil in the field and used to image roots and the surrounding soil. Our team has developed deep learning-based methods that can segment roots from soil that can learn from imprecise image-level labels. The ability to learn or fine-tune our deep learning algorithms from image-level labels allows easier and faster application of these approaches to new locations and new plant species. We have successfully implemented and applied our MR analysis approaches to thousands of switchgrass MR images collected across geographical regions. An advantage of MR imaging is the ability to collect root and soil images over time. Our soil core analysis included collecting hundreds of soil core samples from harvested switchgrass fields and imaging these cores with both X-ray CT and backscatter X-ray imaging. Initial segmentation approaches for the X-ray CT images of these cores have been developed and applied. An advantage of soil core analysis is that it preserves the three-dimensional structures of the roots and soil in the core collected. Our group also developed photogrammetry-based mesocosm root imaging and phenotyping approaches. In this approach, a plant was grown in a large mesocosm with a three-dimensional grid of thin supporting lines inserted throughout the mesocosm. After the plant (and, correspondingly, the root architecture is grown and established) the soil media was removed and the supporting lines approximately preserved the three-dimensional root architecture. Then, we applied photogrammetry techniques to create a three-dimensional digital representation of the root architecture for which we developed analysis algorithms including skeletonization. We carried out our phenotyping development with powerful switchgrass resources and physiological and agroecosystem modeling to deliver novel technology. This project contributes to multiple ARPA-E missions including reduction of foreign imports of energy, reduction of energy-related emissions including greenhouse gases, and ensuring that the United States maintains a technological lead in developing and deploying advanced energy technology. Furthermore, the developed tools could transform public and private plant breeding and could be broadly applicable to other crops and, potentially, other application areas. Our team of engineers, plant and soil scientists, and modelers i) developed an early prototype backscatter X-ray platform that can operate in field conditions; ii) developed a suite of root phenotyping and characterization approaches as described above; iii) developed and carried out plant biology and physiology roots studies and; iv) developed and implemented mechanistic physiological modeling.

42 ENGINEERING↗

Performance study of a novel dew point evaporative cooler in the climate of central Europe using building simulation tools

This paper presents the performance research of a hybrid air conditioning system (System II) equipped with novel dew point evaporative cooler (DPIEC) for a retail building located in temperate climatic conditions. The new cooler has a dedicated, adaptable structure that maximizes its performance in the climate conditions of central Europe. The unit can operate as a typical regenerative air cooler when outdoor air is drier than indoor air, it can operate as a counter-flow heat recovery unit when indoor conditions are more dry than outdoor and it can operate as a combination of both arrangements. The year-round, hourly-stepped building energy simulations were carried-out using a prognostic tool of energy consumption. The novel dew point evaporative cooler application potential was established using the black-box model based on regression equations was established based on experimental tests on a prototype of novel DPIEC. The hybrid system operation was compared to the typical air handling unit equipped with a standard energy wheel for heat recovery (System I). Presented research shows that DPIEC can cover about 95% of total cooling loads while the energy wheel covers only 9% of total cooling load. System II allows us to save 65% of seasonal electricity consumption comparing to System I. It comes from the fact that during most of the cooling season DPIEC is in operation and it covers most of the cooling loads without the need to switch the chilled water system.

Air conditioning↗

Sub-Degree-Per-Hour MEMS Gyroscope for Measurement While Drilling at 300°C

The orientation module of MWD tool offers the critical drill bit orientation information, including azimuth, inclination and toolface in order to control the path of wellbore. Although high end navigation grade gyroscope can meet the accuracy requirement for azimuth finding, the requirements of cost, size and reliability under harsh environment have largely limited the deployment of gyroscopes in MWD tools. To overcome these constraints, GE Research has developed a low cost, MEMS based Multi-Ring Gyroscope (MRG) capable of azimuth-seeking in MWD applications at 300°C. The MRG prototype has been demonstrated to achieve angular random walk (ARW) better than 0.003 deg/rt(hr) and bias instability of 0.01 deg/hr, capable of meeting azimuth finding accuracy better than 0.25 deg. It has further been tested to remain fully operational at 300 °C.

15 GEOTHERMAL ENERGY↗

Additively Manufactured, Lightweight, Low-Cost Composite Vessels for Compressed Natural Gas Fuel Storage

This project will develop a process to combine AM via direct ink writing (DIW) technology for CFC printing and to use design optimization tools pioneered at LLNL, with advances in resin/composite formulation enabled by chemical and nano-material modification to produce lightweight low-cost CNG tanks. Our approach will yield sub-scale prototype composite pressure tanks equivalent to Type-5 CNG vessel designs that demonstrate a potential cost-benefit advantage. Central to our vision is using agile AM and design based on computationally informed DIW of both short and continuous CF, further coupled with high-performance thermoset polymer matrixes modified by emergent nanomaterials. Our single-stage, multi-material AM technology, combined with a decreased volume fraction of CF and an increased proportion of economically advantaged short fiber, all together drive the reduction in manufacturing time and overall cost. Importantly, reductions in continuous fiber and overall fiber volume fraction will be achieved without detriment to the mechanical strength of the composite vessel. This will be achieved by employing a single process using multi materials grading involving a thermoset resin “ink” modified with aligned nanoplatelets to leverage the efficient tortuous-path gas barrier effect, printed as an inner flexible gas barrier as the initial stage in our manufacturing process before compositionally grading the AM feedstock in real-time to transition to a rigid, structural CF-filled resin. The proposed hybrid construction is projected to achieve pressure ratings at a service range of 2,900–3,600 psi with a 3× burst safety factor comparable to conventional filament-wound composite tanks with an estimated 30–50% reduction in total manufacturing cost.

03 NATURAL GAS↗

Multi-objective Bayesian optimization of ferroelectric materials with interfacial control for memory and energy storage applications

Optimization of materials’ performance for specific applications often requires balancing multiple aspects of materials’ functionality. Even for the cases where a generative physical model of material behavior is known and reliable, this often requires search over multidimensional function space to identify low-dimensional manifold corresponding to the required Pareto front. In this work, we introduce the multi-objective Bayesian optimization (MOBO) workflow for the ferroelectric/antiferroelectric performance optimization for memory and energy storage applications based on the numerical solution of the Ginzburg–Landau equation with electrochemical or semiconducting boundary conditions. MOBO is a low computational cost optimization tool for expensive multi-objective functions, where we update posterior surrogate Gaussian process models from prior evaluations and then select future evaluations from maximizing an acquisition function. Using the parameters for a prototype bulk antiferroelectric (PbZrO 3 ), we first develop a physics-driven decision tree of target functions from the loop structures. We further develop a physics-driven MOBO architecture to explore multidimensional parameter space and build Pareto-frontiers by maximizing two target functions jointly—energy storage and loss. This approach allows for rapid initial materials and device parameter selection for a given application and can be further expanded toward the active experiment setting. The associated notebooks provide both the tutorial on MOBO and allow us to reproduce the reported analyses and apply them to other systems (https://github.com/arpanbiswas52/MOBO_AFI_Supplements).

36 MATERIALS SCIENCE↗

Data Center High-Temperature Liquid Cooling and Heat Reuse Techno-Economic Study: Preprint

Data centers are energy-intensive facilities with growing demands for efficiency and cost-effective operations. Smaller, more distributed edge inference data centers are expected to proliferate as AI applications require low latency closer to the user of AI tools, which presents a growing opportunity to explore the systems implications of liquid cooling on water and energy use. This study analyzes the implementation of high-temperature liquid cooling systems in a prototypical inference 1-MW data center and explores the potential for heat reuse across varying climates with a goal to optimize energy efficiency, reduce capital and operational costs, and identify opportunities for high-performance cooling and water use reduction infrastructure. This analysis evaluated configurations utilizing a peak day hourly sizing and systems performance spreadsheet to evaluate design and operational conditions from which component sizes, installed cost, operational cost, and performance metrics were determined for the Base case and the Elevated case. The techno-economic analysis included heat reuse applications across a range of heat recovery temperatures and heat rejection options. The analysis shows that high-temperature liquid cooling allows for improved energy efficiency, lower water consumption, and lower capital costs compared to traditional cooling approaches. Transitioning to elevated water inlet/outlet temperatures (50 degrees C/60 degrees C) eliminates the need for chillers, cooling towers, and heat recovery equipment in many scenarios across three distinct climate zones. This results in up to 75% capital cost savings for the cooling and heat recovery equipment, and with significantly reduced water consumption, especially in non-heat reuse applications. Heat generated from data centers can also be repurposed for space heating, domestic hot water, and other applications, and is most cost-effective when data center outlet temperatures exceed 55-60 degrees C.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

PreMevE‐MEO: Predicting Ultra‐Relativistic Electrons Using Observations From GPS Satellites

Abstract Ultra‐relativistic electrons with energies greater than or equal to two megaelectron‐volt (MeV) pose a major radiation threat to spaceborne electronics, and thus specifying those highly energetic electrons has a significant meaning to space weather communities. Here we report the latest progress in developing our predictive model for MeV electrons in the outer radiation belt. The new version, primarily driven by electron measurements made along medium‐Earth‐orbits (MEO), is called PREdictive MEV Electron (PreMevE)‐MEO model that nowcasts ultra‐relativistic electron flux distributions across the whole outer belt. Model inputs include >2 MeV electron fluxes observed in MEOs by a fleet of GPS satellites as well as electrons measured by one Los Alamos satellite in the geosynchronous orbit. We developed an innovative Sparse Multi‐Inputs Latent Ensemble NETwork (SmileNet) which combines convolutional neural networks with transformers, and we used long‐term in situ electron data from NASA's Van Allen Probes mission to train, validate, optimize, and test the model. It is shown that PreMevE‐MEO can provide hourly nowcasts with high model performance efficiency and high correlation with observations. This prototype PreMevE‐MEO model demonstrates the feasibility of making high‐fidelity predictions driven by observations from longstanding space infrastructure in MEO, thus has great potential of growing into an invaluable space weather operational warning tool.

79 ASTRONOMY AND ASTROPHYSICS↗

A family portrait of lanmodulin selectivity for enhanced rare-earth separations

Proteins offer a molecular design space to create bespoke ligands for the separation of critical metals like rare earth elements (REs). However, data-intensive approaches to tune metalloprotein selectivity are constrained by the low-throughput nature of existing characterization methods. Here we invented an assay called ‘SpyTag-Catcher Immobilization of Lanmodulin for Assaying Metal-Binding Selectivity’ (SpyCI-LAMBS) to measure metalloprotein selectivity en masse. This 96-format workflow was used to study the selectivity of 621 lanmodulin (LanM) orthologs for 15 REs, revealing eight distinct selectivity profiles based on sequence-to-function analyses. We discovered >200 LanMs with stronger selectivity against low-value LaIII relative to the prototypical LanM. This includes a LanM that can perform a challenging one-stage separation of PrIII from LaIII with up to >99.9 mol% purity and 83% yield. SpyCI-LAMBS is a powerful tool that can rapidly collect high-fidelity selectivity data to inform metal ion separations and machine-learning-assisted metalloprotein design.

59 BASIC BIOLOGICAL SCIENCES↗

Sparse Convolutional Neural Networks for particle classification in ProtoDUNE-SP events

Deep Learning (DL) methods and Computer Vision are becoming important tools for event reconstruction in particle physics detectors. In this work, we report on the use of submanifold sparse convolutional neural networks (SparseNets) for the classification of track and shower hits from a DUNE prototype liquid-argon detector at CERN (ProtoDUNE-SP). By taking advantage of the three-dimensional nature of the problem we use a set of nine input features to classify sparse and locally dense hits associated to track or shower particles. The SparseNet has been trained on a test sample and shows promising results: efficiencies and purities greater than 90%. This has also been achieved with a considerable speedup and substantially less resource utilization with respect to other DL networks such as graph neural networks. This method offers great scalability advantages for future large neutrino detectors such as the planned DUNE experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗