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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Fermilab Automation of Coil Winding System

The automated coil winder project creates a repeatable, scalable method for producing superconducting magnet coils with increased accuracy and efficiency. The design uses an ortho cyclic winding method to achieve high fill factors by combining computer numerical control (CNC), microcontroller-based controls, and sophisticated optimization techniques. The method optimizes coil turns, core geometry, and current consumption by utilizing analytical models based on magnetic moment, Ohm’s law, and power constraints. For particle accelerator applications, prototype testing using a 3D-printed coil winder has shown enhanced winding repeatability, thermal management, and manufacturability.

Dzida, Rafal [Northern Illinois U.]↗
DOE OSTI2022

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↗
DOE OSTI2020

Verifying Deep Reductions in the Nuclear Arsenals: Development and Demonstration of a Motion-detection Subsystem for a “Buddy Tag” Using Non-export Controlled Accelerometers

Future nuclear arms-control agreements may place numerical limits on items that are difficult to monitor with national technical means, even when complemented with onsite inspections. Such items could include small objects and mobile assets, such as non-deployed nuclear warheads and mobile missile launchers. Typically, this verification task can be addressed with unique identifiers, but standard tagging techniques may be unacceptable in this case due to host concerns about safety and intrusiveness. First proposed in the late 1980s and partially developed by Sandia National Laboratories in the early 1990s, the “Proximity Tag” or “Buddy Tag” concept seeks to overcome these concerns by separating the tag from the treaty accountable item itself. A buddy tag has two key elements: a tamper-indicating enclosure and a motion-detection system designed to detect illicit movements in a stand-down period. As part of this project, we have built a buddy-tag prototype for demonstration and evaluation purposes. This paper reviews the design choices and functionalities of the tag’s motion-detection subsystem.We pursue a modular approach for the tag’s hardware, built around an Arduino-class microcontroller and a non-export-controlled low-noise accelerometer, and use open-source algorithms for the motion-detection software. Finally, we discuss the results of an extensive experimental campaign involving both indoor and outdoor measurements assessing the performance of the tag under real-world environmental conditions.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2023

A reduced-order modeling of a tubular solar reactor for long duration thermochemical energy storage

The storage of solar energy in a solid form, referred to as a “solar fuel”, can be achieved through a process known as endothermic solar thermochemistry. This process transforms the absorbed solar energy into a stable and retrievable form that can be stored for extended periods of time. This paper presents a low–order heat transfer model of a counter–current tubular falling bed reactor designed to produce thermally reduced magnesium manganese oxide pellets for long duration thermochemical energy storage. The energy required for the endothermic reduction was supplied by concentrated solar energy or renewable electricity via indirect heating of the gas and solid reactants flowing in a ceramic tube. The counter-current gas flow enhances the mixing of the solid particles with the heat recuperation zone, allowing the gas and particles to enter and exit the tubular reactor close to room temperature. Further, the reactor was vertically oriented and was heated circumferentially by an adjustable level heat flux along a finite segment of its length. The temperature distribution of the reactor in response to transient changes along the tube was modeled by considering conduction, convection, and radiation heat transfer. Governing equations for the heat transfer model were solved by discretizing the reactor tube into a finite number of control volumes and using an energy balance for the heat exchange between the reactor wall, gas, and particles within the control volume. The energy absorbed during this endothermic reaction was modeled numerically by fitting the data of the chemical conversion rate with the corresponding temperature of particles in the heating zone. The numerical model has been experimentally validated using a reactor prototype made of a 121.92 cm alumina tube heated by a 7kW electric tube–furnace. The alumina tube receives magnesium manganese oxide pellets of 3.66±0.516 mm in diameter from the top, and a counter–current gas flow from the bottom. The reactor wall temperature was monitored by six thermocouples installed along the reactor tube length. The experimental procedure was numerically simulated, and the temperature variation along the reactor tube was compared with a matrix of experimental runs for a range of particles mass flowrates (0.75–1.25g/s) and corresponding gas flowrates (36–65 SLPM). The reactor system was heated gradually from room temperature to a steady state temperature of 1673K, and then cooled down to room temperature. The heating and cooling processes were simulated, and the numerical and experimental results were compared throughout processes. The numerical model showed similar trends to the experimental results, with an error of 0.69 to 7.9% for the particle inlet and 0.7 to 7.9% for the gas inlet during steady-state operation. The proposed numerical model can be implemented as a simplified physical model to design a feedback control system to regulate reactor temperature.

14 SOLAR ENERGY↗
DOE OSTI2022

Intelligent Process Visualization through Nuclear Operation Process Modeling, Reasoning, and Object Detection from Field Videos (Final Report)

This report is a deliverable for the “Final Report” task of DOE NEET Project 19-16790, "Context-Aware Safety Information Display for Nuclear Field Workers." This project's overall goal is to test the hypothesis that integrating computer vision and process reasoning methods will enable proactive visualization of the safe operation and maintenance processes of Nuclear Power Plants (NPP) for field workers. Augmented Reality (AR) glasses adopting such proactive safety information visualization techniques can significantly increase personnel safety and reduce the NPP’s operating costs. The current practice of monitoring NPPs requires workers to switch between digital models, data, and physical workspaces in identifying relevant but potentially occluded objects and in assessing the risks of operation and maintenance processes. On the other hand, frequently changed field conditions require field workers to report to supervisors for real-time guidance. Such guidance is essential to ensure that changing conditions will not invalidate or endanger the work order and other ongoing processes that may jeopardize NPP operations. Additionally, incorrect recognition of equipment objects can result in communication errors and safety problems. AR techniques can assist engineers in viewing the physical workspaces with objects labeled with detailed operation procedures and safety reminders during field operations. The project team developed an “Intelligent Context-Aware Safety Information Display” (ICAD) for supporting Nuclear Power Plant (NPP) field workers in achieving safe and efficient execution of a series of operational tasks in uncertain and changing workspaces of an NPP. Before designing the ICAD-AR prototype, the project team synthesized NPP operational knowledge models through literature review studies, surveys, interviews with domain experts, and knowledge modeling. The project team conducted an extensive study of the operational procedures of various NPPs, and digital technologies that can support the safe and efficient execution of those procedures in different NPP operational contexts. This literature review helped the project team conduct surveys and interviews with nuclear engineers and field workers to identify three categories of information. The NPP knowledge modeling efforts reveal that the three categories of information identified have different levels of importance in a typical procedure of carrying out a series of tasks to achieve a specific NPP operation goal (e.g., shutdown, mode changes). These three categories of information include 1) Workspace dynamics – the changing spatial arrangements of workspaces, tools, protection equipment, and supporting materials, 2) Workflow prognostics – the dynamic dependencies between different parts of an NPP that functionally support and influence each other in terms of safety and efficiency, and 3) Hazards – objects and spaces that contain hazardous materials or physical conditions that can pose risks to workers or mechanical systems. The project team has profiled the importance levels of these categories of information into a knowledge model. This knowledge model specifies what types of information are more critical for a given task in a given workspace so that computers can automatically identify critical objects and sensors in a scene for delivering context-ware safety information to field workers through AR devices. Significant research development of this project results in technical research outcomes and a prototyping system that illustrates the technical feasibility of establishing an ICAD-AR system supporting the proactive safety information display for nuclear field workers. This final report summarizes the project team’s technological achievements in the past three years. Overall, the project team completed the development and integration of five techniques into a prototype ICAD Augmented Reality (ICAD-AR) system and demonstrated the developed system’s real-time execution in a mechanical room. The project team completed the analysis of using this prototype in other types of workspaces based on 3D image data and digital design models collected from two additional workspaces (a water treatment plant and a flow loop training facility). The integrated techniques include 1) Natural Language Processing (NLP) algorithms supporting the generation and updates of nuclear fieldwork process models based on text analysis of work packages and operation manuals; 2) sensor log analysis for predicting control actions in given sensor reading contexts; 3) computer vision algorithms for automatic localization and navigation of workers; 4) object detection algorithms for identifying task-related objects and correlated sensors for safety checking; 5) AR technique as a platform for supporting the integration. The testing results of these five techniques have shown that 1) the sensor log analysis model can predict the next control action with an accuracy of 0.883; 2) the trained natural language processing model can extract more than 80% of the critical information from paper-based procedures (PBPs); 3) the navigation algorithm with the integration of Visual Inertial Odometry (VIO) and Non-Recursive Bayesian Filter methods make operator’s trajectory estimation resilient to drift error; 4) the computer vision algorithm can detect task-specific and safety-critical objects with an average accuracy of 95.3%. The project team used work procedures collected from a flow loop training facility and two datasets collected from two mechanical rooms simulating the workspaces of NPPs to demonstrate the technical capabilities of the developed ICAD-AR prototype. The demonstration validated the technical feasibility of establishing the ICAD-AR system for nuclear field workers and identified the challenges in 1) automatic text analysis of work packages; 2) use of limited samples of sensor logs for predicting the proper timings of control actions; 3) reliably tracking workers and their task progress in mechanical rooms with many similar objects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Hierarchical Self-Assembly Pathways of Peptoid Helices and Sheets

Peptoids (N-substituted glycines) are a class of tailorable synthetic peptidomic polymers. Amphiphilic diblock peptoids have been engineered to assemble 2D crystalline lattices with applications in catalysis and molecular separations. Assembly is induced in an organic solvent/water mixture by evaporating the organic phase, but the assembly pathways remain uncharacterized. We conduct all-atom molecular dynamics simulations of Nbrpe6Nc6 as a prototypical amphiphilic diblock peptoid comprising an NH 2 -capped block of six hydrophobic N-((4-bromophenyl)ethyl)glycine residues conjugated to a polar NH 3 (CH 2 ) 5 CO tail. We identify a thermodynamically controlled assembly mechanism by which monomers assemble into disordered aggregates that self-order into 1D chiral helical rods then 2D achiral crystalline sheets. We support our computational predictions with experimental observations of 1D rods using small-angle X-ray scattering, circular dichroism, and atomic force microscopy and 2D crystalline sheets using X-ray diffraction and atomic force microscopy. Furthermore, this work establishes a new understanding of hierarchical peptoid assembly and principles for the design of peptoid-based nanomaterials.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Using additive manufacturing technologies in high-field accelerator magnet coils

Recent advances with additive manufacturing (AM) technologies using various materials allow them to be considered for the manufacture of precise and complicated metal parts of the magnet coils of high field accelerator magnets from aluminum bronze, titanium alloy, stainless steel, etc. The 3D printing technology is also being used to fabricate prototype models of real parts to test and optimize their geometry. This paper discusses the designs of the complex stress-management coil parts developed at Fermilab, their fabrication using AM technologies, and quality control methods and results.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Bulk-Capacitance Reduction Method Using Self-Driven Thyristor for AC-DC Converters

Universal serial bus power delivery (USB-PD) fast chargers equipped with wide-bandgap devices are driven to higher power density and efficiency. Furthermore, the indispensable high-voltage bulk capacitors used to smooth the rectifier output could take 40% of the total system volume due to the large capacitance value required. This paper discussed a capacitor reduction method using a self-driven thyristor scheme comprised of only three components in total. No extra control circuit is needed. Circuit analysis and design equations are presented, and the design results are implemented in a 60-W GaN-based active-clamp flyback converter. The measurement results on the prototype show a 36.4% reduction of the bulk-capacitor size with similar efficiency compared to the conventional solution.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Fluoride-Cooled High-Temperature Pebble-Bed Reactor Reference Plant Model

In this report we present work performed in Fiscal Year 2022 that demonstrates the modeling and simulation of a fully coupled neutronics thermal hydraulics reference plant model for a fluoride-cooled high-temperature pebble-bed reactor. The multiphysics model is developed on the Nuclear Regulatory Commission’s Comprehensive Reactor Analysis Bundle (BlueCRAB) available on the Idaho National Laboratory’s high-performance computer, which natively and seamlessly couples Griffin, Pronghorn, and the BISON Multiphysics Object-Oriented Simulation Environment based applications. Griffin provides reactor physics capabilities, including depletion to the equilibrium core, k-eigenvalue, adjoint, and transient. The unique direct equilibrium core capability in Griffin is based on a streamline methodology to spatially deplete the pebbles into burnup groups. Pronghorn solves the porous medium equations for the fluid regions and conduction in the solid regions and incorporates a fluidic diode model to simulate the transition from forced to natural convection during accident scenarios. MOOSE modules solves thermal conduction problems for the pebbles and tristructural isotropic in the pebble-bed core, thus providing the fuel and moderator spatial fields for each pebble burnup group. The neutronics feedback relies primarily on fuel, moderator, and reflector temperatures as as well as the FLiBe salt density. Here, we present results for the uncoupled equilibrium core and perform comparisons to equivalent Monte Carlo models. The power distributions and kinetic parameters obtained with Griffin are consistent with those computed with Griffin. We demonstrate a noticeable improvement with the use of discrete ordinates method (SN) transport. The coupled steady-state equilibrium core provides the initial condition for two time-dependent problems: a control rod withdrawal event and an unprotected loss of flow event. In both cases, the reactor design is self-stabilizing and the solutions are consistent with the expected physics. Although this model is prototypical regarding BlueCRAB’s capabilities, its results are consistent with published work by Kairos Power and other research entities. Significant improvements to the model are planned in future work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Design, Deployment, and Characterization of the World’s First Flexible Large Power Transformer

GE Research and its partner Prolec GE have designed, built and deployed in the field the world’s first flexible power transformer. The flexible power transformer is a transmission class 3-phase autotransformer configurable in impedance and in voltage which allows it to serve as a universal spare for multiple units in a given fleet. However, the key innovation in this new concept is the online adjustable leakage impedance which allows the transformer to change its impedance without interrupting the transmission line operation. The flexible power transformer can be designed with up to three low voltage transmission class ratings and up to 12 impedance values changeable both online and offline. This report provides an overview of the design, manufacturing, testing, and commissioning of the 165kV, 60MVA prototype built including the results of the field performance validation tests. The prototype was specified in collaboration with Cooperative Energy, the utility host. It was designed and tested in the factory according to IEEE standard C57.12.00 and followed all protocols for transportation, installation, and commissioning of a power transformer. In addition to the prototype, a flexible protection system capable of automatically adjusting its settings upon the transformer impedance was also developed and deployed in the for testing and validation. On September 3, 2021 the prototype was energized in Cooperative Energy’s substation in Columbia, Mississippi to become the world’s first flexible power transformer in operation. Its performances and impact on the grid operation were demonstrated through different field tests. Results obtained confirm that the impedance of the flexible transformer can be varied under load through its full range, from 4.3% to 9.3%, without adverse impacts on the line operation, the protection system, the transformer stability and health condition. Results also proved that the flexible transformer is very effective in controlling power transfer through the line or load sharing between units operating in parallel. Indeed, it was proven that higher impedances decrease the thruput power of the transformer while lower impedances increase it. Up to 26MW was controllable on a line loading of 45MVA. It was also possible to demonstrate that the variation of the transformer impedance has no effect on the circulating current between units in parallel, except a minor transient during the impedance change. It was also proven that the flexible protection relay can update its protection settings automatically when the impedance change was detected. The prototype has operated continuously for more than 12 months now with a peak load exceeding 50MVA corresponding to >80% of its ONAN power rating. No alarm, trip or sign of failure has been reported by the utility. In addition to the development and deployment of the flexible transformer prototype, investigations were carried out on new nanodielectric fluids to replace the mineral oil used in power transformers with the goal of reducing their footprint and weight. The key parameters that were targeted for improvement included the breakdown voltage to reduce clearances between windings and tank hence the footprint; viscosity and thermal conductivity to increase the cooling efficiency and therefore to reduce the winding material. Several nanodielectric mixtures with mineral oil including with alumina (Al2O3), titania (TiO2) and Borum Nitrate (BN) with different surfactants have been analyzed and tested. Unfortunately, despite encouraging results no nanofluid candidate has been found viable to replace mineral oil. With the formulations tested, breakdown voltages are generally similar to mineral oil at lower particle contents and worse at higher particle contents. Viscosity appreciably increased at particles concertation over 2 wt% and thermal conductivity increased slightly at 5wt% and appears to be 10-15% higher at 10 wt% particle content. It is recommended to continue investigations to find solutions that can help increase the power density of future flexible power transformers. Flexible power transformers can significantly help the future power grid by providing more flexibility and resiliency. Indeed, by providing voltage and impedance flexibility, flexible power transformers reduce the need for multiple spares, hence inventory costs for utilities. With their online controllable impedance, they can provide support to the grid and help manage short-circuit currents, power flow, line congestion, and grid stability which will become more important with higher penetrations of intermittent renewable resources. During the field validation tests, it was demonstrated that up to 26MW was controllable on a line loading of 45MVA when the transformer impedance was varied from its minimum to its maximum range. Also, with the impedance range, the short-circuit currents could be reduced by up to 38% at the load side of the transformer. With its controllable impedance, flexible transformers can be used in future strategies of grid resilience to help better prepare the grid to face forecasted severe events including storms, heat waves and contingencies. The flexible power transformers can also find role in other applications including high voltage transmission cables such as offshore wind farms where solutions for energizing the cables and managing the reactive power are of critical importance. The designed flexible power transformer is now fully validated and ready for commercialization. Further analysis on the benefits of flexible power transformers for grid stability and short-circuit management including current limiting capability, reclosure and line restoration, control of inrush current, sizing of flexible AC components (FACTS) would help its rapid adoption by the industry.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

APOLLO: a facility-scale differentiable virtual accelerator at Fermilab FAST/IOTA

As the design complexity of modern accelerators grows, there is more interest in using advanced simulations that have fast execution time or yield additional insights like gradients. The FAST/IOTA facility has been working on implementing and experimentally validating an end-to-end digital twin that is both fast and gradient-aware, allowing for rapid prototyping of new software and experiments with minimal beam time costs. Our framework integrates physics and ML codes for linac and ring simulation through a set of generic interfaces between surrogate and physics-based sections. To reproduce device inputs and outputs, system state is exposed as a deterministic event loop in a specialized discrete event simulator architecture. Because Fermilab is undergoing control system transition, several APIs were implemented as final user interfaces - a fully asynchronous EPICS soft IOC, a gRPC-based Data Pool Manager (DPM), and legacy ACNET protocols. We discuss implementation details as well as challenges handling live data assimilation and future plans to extend modelling to main complex proton accelerators like PIPII and Booster.

Kuklev, Nikita [Fermilab]↗
DOE OSTI2022

A SiPM-based optical readout system for the EIC dual-radiator RICH

Silicon photomultipliers (SiPM) are candidates selected as the potential photodetector technology for the dual-radiator Ring-Imaging Cherenkov (dRICH) detector at the future Electron-Ion Collider (EIC). SiPM are cheap devices, highly efficient and insensitive to the high magnetic field at the expected location of the sensors in the experiment. Here, on the other hand, SiPM are not radiation tolerant. Despite the integrated radiation level is expected to be moderate it should be tested whether single photon-counting capabilities and the increase in dark count rate can be kept under control to maintain the optimal dRICH detector performance across the years. The current status of the research for the EIC dRICH application and the first results on studies performed on a sample of commercial and prototype SiPM sensors are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Facet-selective etching trajectories of individual semiconductor nanocrystals

The size and shape of semiconductor nanocrystals govern their optical and electronic properties. Liquid cell transmission electron microscopy (LCTEM) is an emerging tool that can directly visualize nanoscale chemical transformations and therefore inform the precise synthesis of nanostructures with desired functions. However, it remains difficult to controllably investigate the reactions of semiconductor nanocrystals with LCTEM, because of the highly reactive environment formed by radiolysis of liquid. Here, we harness the radiolysis processes and report the single-particle etching trajectories of prototypical semiconductor nanomaterials with well-defined crystalline facets. Lead selenide nanocubes represent an isotropic structure that retains the cubic shape during etching via a layer-by-layer mechanism. The anisotropic arrow-shaped cadmium selenide nanorods have polar facets terminated by either cadmium or selenium atoms, and the transformation trajectory is driven by etching the selenium-terminated facets. LCTEM trajectories reveal how nanoscale shape transformations of semiconductors are governed by the reactivity of specific facets in liquid environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Trigger-DAQ and Slow Controls Systems in the Mu2e Experiment

The muon campus program at Fermilab includes the Mu2e experiment that will search for a charged-lepton flavor violating processes where a negative muon converts into an electron in the field of an aluminum nucleus, improving by four orders of magnitude the search sensitivity reached so far. Mu2e's Trigger and Data Acquisition System (TDAQ) uses otsdaq as its solution. Developed at Fermilab, otsdaq uses the artdaq DAQ framework and art analysis framework, under the-hood, for event transfer, filtering, and processing. otsdaq is an online DAQ software suite with a focus on flexibility and scalability, while providing a multi-user, web-based, interface accessible through the Chrome or Firefox web browser. The detector Read Out Controller (ROC), from the tracker and calorimeter, stream out zero-suppressed data continuously to the Data Transfer Controller (DTC). Data is then read over the PCIe bus to a software filter algorithm that selects events which are finally combined with the data flux that comes froma Cosmic Ray Ve to System (CRV). A Detector Control System (DCS) for monitoring, controlling, alarming, and archiving has been developed using the Experimental Physics and Industrial Control System (EPICS) Open Source Platform. The DCS System has also been itegrated into otsdaq. The installation of the TDAQ and the DCS systems in the Mu2e building is planned for 2021-2022, and a prototype has been built at Fermilab's Feynman Computing Center. We report here on the developments and achievements of the integration of Mu2e's DCS system into the online otsdaq software.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Modelica-json: Transforming energy models to digitize the control delivery process

Building simulation models are typically not used to generate the documentation required for bidding and project delivery of commercial building systems, or for their semantic modeling and commissioning. This paper presents a software tool that aids in digitizing the control delivery process, spanning simulation during design to implementation and formal verification during commissioning. The tool can generate from Modelica models digital documentation of control sequences. This digital documentation, along with other project drawings and specifications can be used for project bidding. It can also be used for implementation of control sequences through machineto-machine translation to commercial legacy control products, for which we are currently developing the proposed ASHRAE Standard 231P based on the presented work. Moreover, as-installed control sequences can be formally verified against the design specification, and a semantic model in Brick can be exported to aid in configuration of building analytics and fault detection. The paper presents what we believe is the first translation of a Modelica-implemented control sequence to a native implementation on a commercial control platform, using the webCTRL product line from Automated Logic. The paper also shows how a webCTRL implementation can be formally verified against its Modelica specification. These use cases have all been demonstrated with a prototype implementation that is now being further developed.

Wetter, Michael↗
DOE OSTI2026

Understanding Adsorption and Reactions at Aqueous Oxide Interfaces with Neural Network Potential Molecular Dynamics

Chemical processes at metal oxide−water interfaces are of central importance in geochemistry, biology, and energy technologies. A better understanding of these processes would allow us to make a significant step toward optimizing and controlling them, which could in turn lead to broader impacts. Computational modeling is indispensable to accomplishing this task because complexity and disorder often make it difficult to extract atomistic information from experiments. Balancing computational cost and accuracy, simulation schemes based on efficient machine learning representations of the potential energy surface (PES) predicted by ab initio calculations have become increasingly popular over the past decade. In particular, several studies have demonstrated the ability of machine learning models to accurately reproduce the complex ab initio PESs of aqueous oxide interfaces, allowing simulations of systems and processes that are not accessible with ab initio methods. In this Account, we review our recent efforts to understand adsorption processes and reactions at aqueous oxide interfaces using deep potential molecular dynamics (DPMD), a simulation scheme employing deep neural networks (DNNs), which has proven to be quite successful in accurately describing many different systems in the condensed phase. After summarizing the DPMD methodology, we first review our work on the acid−base chemistry of oxide surfaces in contact with water, a fundamental characteristic that controls proton transfer and surface charge at the interface. We focus on the aqueous interface of rutile IrO 2 , an oxide material thus far considered the best catalyst for the oxygen evolution reaction (OER). We show that this interface is characterized by a large fraction of dissociated water and a strong Brønsted acidity of the surface sites, in good agreement with the experimentally measured value of the point of zero proton charge. In our second example, we investigate how the adsorption of organic species from ambient air or water affects the structure and wettability of the aqueous interfaces of TiO 2 , a prototypical photocatalytic material. This is a question that is relevant to understanding the UV-induced hydrophilicity of TiO 2 surfaces, a property at the basis of self-cleaning windows and related applications. Specifically focusing on formic and acetic acids, the two most common atmospheric organic acids, our simulations reveal that these acids control the wettability of TiO 2 largely through acid−base chemistry at the interface rather than chemisorption on the oxide surface, a finding that could help improve the design of self-cleaning surfaces and photocatalytic devices. Finally, we review our recent study of methanol at TiO 2 −water interfaces, a system whose interest is largely motivated by the role of methanol in enhancing photocatalytic hydrogen evolution on TiO 2 . Our simulations provide mechanistic insights into the coupled roles of the organic adsorbate and water at the TiO 2 interface, with implications for how methanol enhances the activity of H 2 evolution.

adsorption↗
DOE OSTI2021

Controlling the symmetry of cadmium arsenide films by epitaxial strain

Epitaxial strains offer unique opportunities to obtain topological states in thin films and heterostructures that do not exist in their bulk counterparts. Here, we investigate the point group symmetries of coherently strained films of cadmium arsenide (Cd 3 As 2 ), a prototype three-dimensional Dirac semimetal, by convergent beam electron diffraction. We report a loss of the fourfold rotational axis and adoption of the orthorhombic mmm point group in (112)-oriented films under biaxial compressive stress. (001)-oriented Cd 3 As 2 films that are under a small biaxial tensile stress retain the fourfold rotational symmetry that protects the bulk nodes but adopt the non-centrosymmetric 4mm point group symmetry. This, in turn, suggests that (001) films adopt a different crystal structure in biaxial tension, one that differs in the arrangement of the ordered Cd vacancies that are an inherent feature of the crystal structure of Cd 3 As 2 and that are key to its nodal electronic structure. Density functional theory calculations confirm the experimental findings of the stability of the non-centrosymmetric structure under biaxial tension, whereas the centrosymmetric structure is stable under biaxial compression. The results show that bulk Cd 3 As 2 is already close to structural instability and showcase the extraordinary tunability of the topological states of Cd 3 As 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Charge order textures induced by non-linear couplings in a half-doped manganite

Abstract The self-organization of strongly interacting electrons into superlattice structures underlies the properties of many quantum materials. How these electrons arrange within the superlattice dictates what symmetries are broken and what ground states are stabilized. Here we show that cryogenic scanning transmission electron microscopy (cryo-STEM) enables direct mapping of local symmetries and order at the intra-unit-cell level in the model charge-ordered system Nd 1/2 Sr 1/2 MnO 3 . In addition to imaging the prototypical site-centered charge order, we discover the nanoscale coexistence of an exotic intermediate state which mixes site and bond order and breaks inversion symmetry. We further show that nonlinear coupling of distinct lattice modes controls the selection between competing ground states. The results demonstrate the importance of lattice coupling for understanding and manipulating the character of electronic self-organization and that cryo-STEM can reveal local order in strongly correlated systems at the atomic scale.

42 ENGINEERING↗