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DOE OSTI2022

Enabling real-time adaptation of machine learning models at x-ray Free Electron Laser facilities with high-speed training optimized computational hardware

The emergence of novel computational hardware is enabling a new paradigm for rapid machine learning model training. For the Department of Energy’s major research facilities, this developing technology will enable a highly adaptive approach to experimental sciences. In this manuscript we present the per-epoch and end-to-end training times for an example of a streaming diagnostic that is planned for the upcoming high-repetition rate x-ray Free Electron Laser, the Linac Coherent Light Source-II. We explore the parameter space of batch size and data parallel training across multiple Graphics Processing Units and Reconfigurable Dataflow Units. We show the landscape of training times with a goal of full model retraining in under 15 min. Although a full from scratch retraining of a model may not be required in all cases, we nevertheless present an example of the application of emerging computational hardware for adapting machine learning models to changing environments in real-time, during streaming data acquisition, at the rates expected for the data fire hoses of accelerator-based user facilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Morpho-physiological and transcriptomic responses of field pennycress to waterlogging

Field pennycress (Thlaspi arvense) is a new biofuel winter annual crop with extreme cold hardiness and a short life cycle, enabling off-season integration into corn and soybean rotations across the U.S. Midwest. Pennycress fields are susceptible to winter snow melt and spring rainfall, leading to waterlogged soils. The objective of this research was to determine the extent to which waterlogging during the reproductive stage affected gene expression, morphology, physiology, recovery, and yield between two pennycress lines (SP32-10 and MN106). In a controlled environment, total pod number, shoot/root dry weight, and total seed count/weight were significantly reduced in SP32-10 in response to waterlogging, whereas primary branch number, shoot dry weight, and single seed weight were significantly reduced in MN106. This indicated waterlogging had a greater negative impact on seed yield in SP32-10 than MN106. We compared the transcriptomic response of SP32-10 and MN106 to determine the gene expression patterns underlying these different responses to seven days of waterlogging. The number of differentially expressed genes (DEGs) between waterlogged and control roots were doubled in MN106 (3,424) compared to SP32-10 (1,767). Functional enrichment analysis of upregulated DEGs revealed Gene Ontology (GO) terms associated with hypoxia and decreased oxygen, with genes in these categories encoding proteins involved in alcoholic fermentation and glycolysis. Additionally, downregulated DEGs revealed GO terms associated with cell wall biogenesis and suberin biosynthesis, indicating suppressed growth and energy conservation. Interestingly, MN106 waterlogged roots exhibited significant stronger regulation of these genes than SP32-10, displaying a more robust transcriptomic response overall. Together, these results reveal the reconfiguration of cellular and metabolic processes in response to the severe energy crisis invoked by waterlogging in pennycress.

ERF-VII↗

DOE OSTI2023

The saturation mechanism of thermal instability

The literature on thermal instability (TI) reveals that even for a simple homogeneous plasma, the nonlinear outcome ranges from a gentle reconfiguration of the initial state to an explosive one, depending on whether the condensations that form evolve in an isobaric or nonisobaric manner. After summarizing the recent developments on the linear and nonlinear theory of TI, here we derive several general identities from the evolution equation for entropy that reveal the mechanism by which TI saturates; whenever the boundary of the instability region (the Balbus contour) is crossed, a dynamical change is triggered that causes the comoving time derivative of the pressure to change the sign. This event implies that the gas pressure force reverses direction, slowing the continued growth of condensation. For isobaric evolution, this “pressure reversal” occurs nearly simultaneously for every fluid element in condensation and a steady state is quickly reached. For nonisobaric evolution, the condensation is no longer in mechanical equilibrium and the contracting gas rebounds with greater force during the expansion phase that accompanies the gas reaching the equilibrium curve. The cloud then pulsates because the return to mechanical equilibrium becomes wave mediated. We show that both the contraction rebound event and subsequent pulsation behavior follow analytically from an analysis of the new identities. Our analysis also leads to the identification of an isochoric TI zone and makes it clear that unless this zone intersects the equilibrium curve, isochoric modes can only become unstable if the plasma is in a state of thermal non-equilibrium.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Optimal Siting of EV Fleet Charging Station Considering EV Mobility and Microgrid Formation for Enhanced Grid Resilience

Coordinating infrastructure planning for transportation and the power grid is essential for enhanced reliability and resilience during operation and disaster management. This paper presents a two-stage stochastic model to optimize the location of electric vehicle fleet charging stations (FEVCSs) to enhance the resilience of a distribution network. The first stage of this model deals with the decision to place an FEVCS at the most favorable and optimized location, whereas the second stage aims to minimize the weighted sum of the value of lost load in multiple potential scenarios with different faults. Indeed, the second stage is a joint grid restoration scheme with network reconfiguration and microgrid formation using available distributed generators and fleet electric vehicles. The proposed model is tested on a modified IEEE-33 node distribution network and a four-node transportation network. Case studies demonstrate the effectiveness of the proposed model.

25 ENERGY STORAGE↗

DOE OSTI2024

Entropy Analysis of FPGA Interconnect and Switch Matrices for Physical Unclonable Functions

Random variations in microelectronic circuit structures represent the source of entropy for physical unclonable functions (PUFs). In this paper, we investigate delay variations that occur through the routing network and switch matrices of a field-programmable gate array (FPGA). The delay variations are isolated from other components of the programmable logic, e.g., look-up tables (LUTs), flip-flops (FFs), etc., using a feature of Xilinx FPGAs called dynamic partial reconfiguration (DPR). A set of partial designs is created to fix the placement of a time-to-digital converter (TDC) and supporting infrastructure to enable the path delays through the target interconnect and switch matrices to be extracted by subtracting out common-mode delay components. Delay variations are analyzed in the different levels of routing resources available within FPGAs, i.e., local routing and across-chip routing. Data are collected from a set of Xilinx Zynq 7010 devices, and a statistical analysis of within-die variations in delay through a set of the randomly-generated and hand-crafted interconnects is presented.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Optimal Sizing of Movable Energy Resources for Enhanced Resilience in Distribution Systems: A Techno-Economic Analysis

This article introduces a techno-economic analysis aimed at identifying the optimal total size of movable energy resources (MERs) to enhance the resilience of electric power supply. The core focus of this approach is to determine the total size of MERs required within the distribution network to expedite restoration after extreme events. Leveraging distribution line fragility curves, the proposed methodology generates numerous line outage scenarios, with scenario reduction techniques employed to minimize computational burden. For each reduced multiple line outage scenario, a systematic reconfiguration of the distribution network, represented as a graph, is executed using tie-switches within the system. To evaluate each locational combination of MERs for a specific number of these resources, the expected load curtailment (ELC) is calculated by summing the load curtailment within microgrids formed due to multiple line outages. This process is repeated for all possible locational combinations of MERs to determine minimal ELC for each MER total size. For every MER total size, the minimal ELCs are determined. Finally, a techno-economic analysis is performed using power outage cost and investment cost of MERs to pinpoint an optimal total size of MERs for the distribution system. To demonstrate the effectiveness of the proposed approach, case studies are conducted on the 33-node and the modified IEEE 123-node distribution test systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Simulations for Planning of Liquid Hydrogen Spill Test

In order to better understand the complex pooling and vaporization of a liquid hydrogen spill, Sandia National Laboratories is conducting a highly instrumented, controlled experiment inside their Shock Tube Facility. Simulations were run before the experiment to help with the planning of experimental conditions, including sensor placement and cross wind velocity. This paper describes the modeling used in this planning process and its main conclusions. Sierra Suite’s Fuego, an in-house computational fluid dynamics code, was used to simulate a RANS model of a liquid hydrogen spill with five crosswind velocities: 0.45, 0.89, 1.34, 1.79, and 2.24 m/s. Two pool sizes were considered: a diameter of 0.85 m and a diameter of 1.7. A grid resolution study was completed on the smaller pool size with a 1.34 m/s crosswind. A comparison of the length and height of the plume of flammable hydrogen vaporizing from the pool shows that the plume becomes longer and remains closer to the ground with increasing wind speed. The plume reaches the top of the facility only in the 0.45 m/s case. From these results, we concluded that it will be best for the spacing and location of the concentration sensors to be reconfigured for each wind speed during the experiment.

08 HYDROGEN↗

DOE OSTI2021

Conformational Control of DNA Origami by DNA Oligomers, Intercalators and UV Light

DNA origami has garnered great attention due to its excellent programmability and precision. It offers a powerful means to create complex nanostructures which may not be possible by other methods. The macromolecular structures may be used as static templates for arranging proteins and other molecules. They are also capable of undergoing structural transformation in response to external signals, which may be exploited for sensing and actuation at the nanoscale. Such on-demand reconfigurations are executed mostly by DNA oligomers through base-pairing and/or strand displacement, demonstrating drastic shape changes between two different states, for example, open and close. Recent studies have developed new mechanisms to modulate the origami conformation in a controllable, progressive manner. Here we present several methods for conformational control of DNA origami nanostructures including chemical adducts and UV light as well as widely applied DNA oligomers. The detailed methods should be useful for beginners in the field of DNA nanotechnology.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Decoding the Atomic Structure of Ga 2 Te 5 Pulsed Laser Deposition Films for Memory Applications Using Diffraction and First-Principles Simulations

Neuromorphic computing, reconfigurable optical metamaterials that are operational over a wide spectral range, holographic and nonvolatile displays of extremely high resolution, integrated smart photonics, and many other applications need next-generation phase-change materials (PCMs) with better energy efficiency and wider temperature and spectral ranges to increase reliability compared to current flagship PCMs, such as Ge 2 Sb 2 Te 5 or doped Sb 2 Te. Gallium tellurides are favorable compounds to achieve the necessary requirements because of their higher melting and crystallization temperatures, combined with low switching power and fast switching rate. Ga 2 Te 3 and non-stoichiometric alloys appear to be atypical PCMs; they are characterized by regular tetrahedral structures and the absence of metavalent bonding. The sp 3 gallium hybridization in cubic and amorphous Ga 2 Te 3 is also different from conventional p-bonding in flagship PCMs, raising questions about its phase-change mechanism. Furthermore, gallium tellurides exhibit a number of unexpected and highly unusual phenomena, such as nanotectonic compression and viscosity anomalies just above their melting points. Using high-energy X-ray diffraction, supported by first-principles simulations, we will elucidate the atomic structure of amorphous Ga 2 Te 5 PLD films, compare it with the crystal structure of tetragonal gallium pentatelluride, and investigate the electrical, optical, and thermal properties of these two materials to assess their potential for memory applications, among others.

36 MATERIALS SCIENCE↗

DOE OSTI2025

ELECTRIFICATION OF A HEAVY-DUTY OFF-ROAD MATERIAL HANDLER: ENERGY SAVINGS AND EMISSION REDUCTIONS

Federal regulations are driving the adoption of electrification technologies to reduce carbon dioxide equivalent (CO2e) emissions, a metric that quantifies the global warming potential of various greenhouse gases in terms of carbon dioxide (CO2). Although no specific CO2 regulations exist for heavy-duty off-road machines, future reductions are likely, given stricter emissions standards for on-road vehicles. The heavy-duty off-road sector offers significant fuel-saving potential, as its focus has traditionally been on reliability and performance rather than fuel efficiency. This dissertation examines fuel and CO2e savings opportunities on a heavy-duty off-road material handler, the Pettibone Cary-Lift 204i, from stock configuration to simple modifications to a complete teardown and reconfiguration of the machine with a plug-in series hybrid architecture using electrified hydraulics. The study begins by modeling the baseline machine’s fuel and energy consumption, calibrating with experimental data from custom operating cycles. An energy analysis identifies key areas for fuel savings. Two simple powertrain modifications result in a combined 16.2% fuel savings. Next, a Pugh-style analysis narrows a list of electrified architectures, leading to high-fidelity models that evaluate total lifetime CO2e and costs. Higher electrification levels reduce CO2e emissions but increase costs, and electricity grid emissions significantly impact CO2e for plug-in architectures. A plug-in series hybrid is chosen for the project. In its base control form, 49% fuel and 29% CO2e savings are expected from the plug-in series hybrid compared to the baseline machine. Further savings are pursued through regenerative braking (6.3%) and load-following hydraulic control (17.8%), totaling 24.1% fuel savings, and leading to a total of 61% fuel and 41% CO2e savings compared to the baseline. Battery chemistries and charging strategies are also analyzed for cost and CO2e impacts, finding LFP batteries as superior due to longevity, and overnight level 2 charging usually at a lower cost but resulting in higher emissions than opportunity DC fast-charging (DCFC). DCFC emissions are highly dependent on grid emissions, and DCFC cost is highly dependent on grid demand charges. Finally, artificial intelligence is applied to operating cycle recognition. Neural network accuracy ranges from 81% to 99%, with applications to worksite efficiency and safety improvements.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

The Robotic Multiobject Focal Plane System of the Dark Energy Spectroscopic Instrument (DESI)

Abstract A system of 5020 robotic fiber positioners was installed in 2019 on the Mayall Telescope, at Kitt Peak National Observatory. The robots automatically retarget their optical fibers every 10–20 minutes, each to a precision of several microns, with a reconfiguration time of fewer than 2 minutes. Over the next 5 yr, they will enable the newly constructed Dark Energy Spectroscopic Instrument (DESI) to measure the spectra of 35 million galaxies and quasars. DESI will produce the largest 3D map of the universe to date and measure the expansion history of the cosmos. In addition to the 5020 robotic positioners and optical fibers, DESI’s Focal Plane System includes six guide cameras, four wave front cameras, 123 fiducial point sources, and a metrology camera mounted at the primary mirror. The system also includes associated structural, thermal, and electrical systems. In all, it contains over 675,000 individual parts. We discuss the design, construction, quality control, and integration of all these components. We include a summary of the key requirements, the review and acceptance process, on-sky validations of requirements, and lessons learned for future multiobject, fiber-fed spectrographs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

The 2022 High-energy Outburst and Radio Disappearing Act of the Magnetar 1E 1547.0–5408

We report the radio and high-energy properties of a new outburst from the radio-loud magnetar 1E 1547.0–5408. Following the detection of a short burst from the source with Swift-BAT on 2022 April 7, observations by NICER detected an increased flux peaking at (6.0 ± 0.4) × 10 –11 erg s –1 cm –2 in the soft X-ray band, falling to a baseline level of 1.7 × 10 –11 erg s –1 cm –2 over a 17 day period. Joint spectroscopic measurements by NICER and NuSTAR indicated no change in the hard nonthermal tail despite the prominent increase in soft X-rays. Observations at radio wavelengths with Murriyang, the 64 m Parkes radio telescope, revealed that the persistent radio emission from the magnetar disappeared at least 22 days prior to the initial Swift-BAT detection and was redetected two weeks later. Such behavior is unprecedented in a radio-loud magnetar, and may point to an unnoticed slow rise in the high-energy activity prior to the detected short bursts. Finally, our combined radio and X-ray timing revealed the outburst coincided with a spin-up glitch, where the spin frequency and spin-down rate increased by 0.2 ± 0.1 μHz and (–2.4 ± 0.1) × 10 –12 s –2 , respectively. A linear increase in the spin-down rate of (–2.0 ± 0.1) × 10 –19 s –3 was also observed over 147 days of postoutburst timing. Our results suggest that the outburst may have been associated with a reconfiguration of the quasi-polar field lines, likely signaling a changing twist, accompanied by spatially broader heating of the surface and a brief quenching of the radio signal, yet without any measurable impact on the hard X-ray properties.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Using Containers to Speed Up Development, to Run Integration Tests and to Teach About Distributed Systems

GlideinWMS is a workload manager provisioning resources for many experiments, including CMS and DUNE. The software is distributed both as native packages and specialized production containers. Following an approach used in other communities like web development, we built our workspaces, system-like containers to ease development and testing. Developers can change the source tree or check out a different branch and quickly reconfigure the services to see the effect of their changes. In this paper, we will talk about what differentiates workspaces from other containers. We will describe our base system, composed of three containers: a one-node cluster including a compute element and a batch system, a GlideinWMS Factory controlling pilot jobs, and a scheduler and Frontend to submit jobs and provision resources. Additional containers can be used for optional components. This system can easily run on a laptop, and we will share our evaluation of different container runtimes, with an eye for ease of use and performance. Finally, we will talk about our experience as developers and with students. The GlideinWMS workspaces are easily integrated with IDEs like VS Code, simplifying debugging and allowing development and testing of the system even when offline. They simplified the training and onboarding of new team members and summer interns. And they were useful in workshops where students could have first-hand experience with the mechanisms and components that, in production, run millions of jobs.

Mambelli, Marco [Fermilab] (ORCID:0000000294892681↗

DOE OSTI2020

Dynamic Restoration Strategy for Distribution System Resilience Enhancement

In electric power distribution systems, distributed energy resources (DERs) can act as controllable power sources and support utility operators to minimize power outages after extreme weather events (e.g., hurricane, earthquake, wildfire) and thus help enhance the grid's resilience. Meanwhile, the influences of extreme events and the capabilities of DERs are dynamic and difficult to predict. Hence, the desired distribution system restoration strategy should be able to evolve according to real-time fault/disturbance information and the availability of DERs. In this paper, we propose a new dynamic restoration strategy for distribution systems to enhance system resilience against potential hazards. An efficient reconfiguration algorithm is developed to eliminate the use of integer variables to relieve the computational burden. Model predictive control is implemented to adjust the system topology and DER operation set points based on the updated fault information and DER forecasts. The effectiveness of the proposed restoration model in enhancing distribution system resilience is validated through an IEEE 123-bus test system. Simulation results also validate that the proposed restoration model can mitigate the occurrence of unexpected events and the fluctuations of DERs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Power Quality and Stability in a Cluster of Microgrids with Coordinated Power and Energy Management

Distributed Energy Resources (DER) such as photovoltaic (PV) systems and battery energy storage systems (BESS) can be operated collectively as microgrids. Microgrids can be effective in meeting local load requirements as well as in improving the power quality and stability in a modern power distribution system. Multiple microgrids can also be operated in a coordinated manner as a cluster, to improve the resiliency of the power distribution system. In the event of an outage caused by a transmission system failure, the microgrids in a cluster can use their distributed generation capacity and energy storage resources to recover and extend power availability to the critical loads in the system. In this paper, an illustrative cluster of two microgrids based on the IEEE 13-bus model with DERs has been used, to demonstrate the operation of the concept using real-time simulations. Using real-time simulations, capabilities such as switching reconfiguration following faults, identification of optimal DER placement for effective power quality management, and power electronic controller validation have been demonstrated. For the two-microgrid cluster, this paper also presents improvements in load voltage quality and

Chowdhury, Prithwiraj Roy↗

DOE OSTI2021

Design Study for Bio-Oil Production from Biomass Using a Dual Fluidized-Bed Reactor

To evaluate the re-design and reconfiguration of a dual-fluidized bed (DFB) gasification system into a recirculating pyrolysis reactor, Computation Fluid Dynamic (CFD) simulations of the system were conducted. The Barracuda Virtual Reactor® computational particle fluid dynamic code was used to perform simulations of the pyrolysis process. Modeling of the chemical reaction kinetics for both gas phase and solid particle phase were included. The recirculating pyrolysis reactor shown in Fig. 1a is based on a bubbling-bed biomass pyrolyzer and a riser combustor to convert the remaining char. The operational differences in the re-configuration of the DFB gasification system into a recirculating pyrolysis system for the production of bio-oil are (1) replacement of a low-surface area inert bed material with a high-surface-area bed material that has acidic properties to provide catalytic activity for the production of bio-oil with reduced oxygen content, (2) lower temperature and residence time for bio-oil production from pyrolysis, (3) replacement of the fluidization gas in the bubbling bed pyrolyzer from steam to nitrogen, and (4) the reduction of pyrolyzer freeboard volume. The bed material used for catalytic pyrolysis is Sasol 300 (300-micron dia., bulk density 0.94 kg/l, and surface area 130 m2/g) and is a theta-alumina with mild acidity. This is in comparison with previous standard bed material Carbo HSP (430-micron dia., bulk density 2.01 kg/l, and surface area 0.03 m2/g) used for gasification. For bio-oil production, pyrolysis in the bubbling bed requires temperatures in the range of 550 C in comparison with gasification temperatures near 850 C. To attain this lower temperature requires management of the energy mass balances, with control of the bed material recirculation rate between bubbling bed pyrolyzer and riser combustor, the introduction of a nitrogen purge in the pyrolyzer, and adjusting the pressure balance between the two vessels. To extract bio-oil from the pyrolysis reactor with a snorkel, two different freeboard configurations were evaluated. In Fig. 1 b the existing high freeboard configuration is shown and in Fig. 1 c the reduced freeboard design is presented. The introduction of a nitrogen purge for the high free board configuration provided the highest bio-oil production from the CFD simulations. To decrease the bed-material circulation rate, primary and secondary air on the combustor side were reduced, and the pressure on the combustor was slightly increased. A portion of the biomass and bio-oil was observed to be transported to the combustor, leading to a smaller pyrolysis yield. The control of the pyrolyzer temperature is performed by controlling the circulation rate. Good fluidization of the bubbling bed and cascade PID control are required to keep the temperature from oscillating due to large time delay experienced when changing primary and secondary air. (a) (b) (c) Figure 1. (a) Dual Fluidized Bed pyrolysis system configuration, (b) mole fraction of nonpolar biooil in high freeboard configuration, and (c) mole fraction of nonpolar bio-oil in low freeboard configuration with nitrogen purge introduced in both configurations.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS↗

DOE OSTI2021

Estimation of Electromechanical Modes of Oscillation in the Eastern Interconnection from Ambient PMU Data

A power system's inter-area electromechanical modes of oscillation determine if the system is small-signal stable. Mode meters are tools that estimate the modes based on ambient synchrophasor measurements, allowing continuous monitoring of the system's stability margin. This paper reports on the application of mode meter algorithms to 21 months of synchrophasor measurements from the United States Eastern Interconnection (EI). Estimates for three modes were updated every minute, providing a much more comprehensive set of results than previous studies based on disturbance recordings. The detailed signal designs and mode meter configurations provided in this paper can be used to accelerate mode meter deployments in the EI. Analysis of the mode estimates reveal for the first time how seasonal load changes and system reconfiguration impact the EI system's dynamics.

Follum, James D.↗

DOE OSTI2020

On the Marriage of Asynchronous Many Task Runtimes and Big Data: A Glance

The rise of the accelerator-based architectures and reconfigurable computing have showcased the weakness of software stack toolchains that still maintain a static view of the hardware instead of relying on a symbiotic relationship between static (e.g., compilers) and dynamic tools (e.g., runtimes). In the past decades, this need has given rise to adaptive runtimes with increasingly finer computational tasks. These finer tasks help to take advantage of the hardware by switching out when a long latency operation is encountered (because of the deeper memory hierarchies and new memory technologies that might target streaming instead of random access), thus trading off idle time for unrelated work. Examples of these finer task runtimes are Asynchronous Many Task (AMT) runtimes, in which highly efficient computational graphs run on a variety of hardware. Due to its inherent latency tolerant characteristics, Latency-sensitive applications, such as Graph Analytics and Big Data can effectively use these runtimes. This paper aims to present an example of how the careful design of an AMT can exploit the hardware substrate when faced with high latency applications such as the ones given in the Big Data domain. Moreover, with its introspection and adaptive capabilities, we aim to show the power of these runtimes when facing the changing requirements of the application workloads. We use the Performance Open Community Runtime (P-OCR) as our vehicle to demonstrate the concepts presented here.

adaptive runtime, big data analysis↗