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DOE OSTI2023

Chemically Fueled Reinforcement of Polymer Hydrogels

Carbodiimide-fueled anhydride bond formation has been used to enhance the mechanical properties of permanently crosslinked polymer networks, giving materials that exhibit transitions from soft gels to covalently reinforced gels, eventually returning to the original soft gels. Temporary changes in mechanical properties result from a transient network of anhydride crosslinks, which eventually dissipate by hydrolysis. Over an order of magnitude increase in the storage modulus is possible through carbodiimide fueling. Here, the time-dependent mechanical properties can be modulated by the concentration of carbodiimide, temperature, and primary chain architecture. Because the materials remain rheological solids, new material functions such as temporally controlled adhesion and rewritable spatial patterns of mechanical properties have been realized.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Improving Single-Stage Object Detectors for Nighttime Pedestrian Detection

We report Improving the reliability of nighttime pedestrian detection is a crucial challenge towards the design of robust autonomous systems. Not surprisingly, most pedestrian fatalities occur in low-illumination settings, thus emphasizing the need for new algorithmic advances. This work presents a novel pedestrian detection approach that makes a number of crucial modifications to the state-of-the-art YOLOV5-PANet architecture, in order to improve the reliability of features extracted from nighttime images. More specifically, the proposed architecture systematically incorporates powerful shuffle attention mechanisms and a transformer module to improve the feature learning pipeline. Instead of advocating the use of other sensing modalities that are better suited for nighttime detection, our approach relies only on conventional RGB cameras and is hence broadly applicable. Our empirical studies with nighttime pedestrian detection benchmarks show that with only minimal increase in model complexity, our approach provides significant improvements in detection efficacy over existing solutions. Finally, we explore the impact of post-hoc network pruning on the speed-accuracy trade-off of our approach and demonstrate that it is well suited for reduced memory/compute requirements.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Low-loss interconnects for modular superconducting quantum processors

Low-loss superconducting aluminium cables and on-chip impedance transformers can be used to link qubit modules and create superconducting quantum computing networks with high-fidelity intermodule state transfer. Scaling is now a key challenge in superconducting quantum computing. One solution is to build modular systems in which smaller-scale quantum modules are individually constructed and calibrated and then assembled into a larger architecture. This, however, requires the development of suitable interconnects. Here we report low-loss interconnects based on pure aluminium coaxial cables and on-chip impedance transformers featuring quality factors of up to 8.1 x 10 5 , which is comparable with the performance of our transmon qubits fabricated on a single-crystal sapphire substrate. We use these interconnects to link five quantum modules with intermodule quantum state transfer and Bell state fidelities of up to 99%. To benchmark the overall performance of the processor, we create maximally entangled, multiqubit Greenberger-Horne-Zeilinger states. The generated intermodule four-qubit Greenberger-Horne-Zeilinger state exhibits 92.0% fidelity. We also entangle up to 12 qubits in a Greenberger-Horne-Zeilinger state with 55.8 ± 1.8% fidelity, which is above the genuine multipartite entanglement threshold of 1/2.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Architectural scaling tradeoffs in modular 3D bosonic quantum processors

We propose a modular three-dimensional bosonic quantum processor built from repeatable coupled-cavity modules linked by configurable interconnect networks. Using hardware-motivated graph-theoretic measures, we compare nearest-neighbor, hub-based, and hybrid architectures in terms of interconnect count, communication distance, resource concentration, and implementation complexity. Rather than identifying a universally optimal topology, our analysis shows how these architectures redistribute the costs of scaling, including wiring and port requirements, nonlocal communication distance, exposure to shared resources, routing bottlenecks, and scheduling overhead. Case studies of a $3\times3$ processor and a larger hierarchical architecture further distinguish finite-size performance from asymptotic scaling. The resulting framework provides a systematic basis for evaluating modular three-dimensional bosonic processors and for identifying the device-level parameters required for quantitative hardware design.

Zhu, Shaojiang [Fermilab] (ORCID:0000000293180092)↗

DOE OSTI2021

Map Applications to Target Exascale Architecture with Machine-Specific Performance Analysis, Including Challenges and Projections

This Exascale Computing Project (ECP) milestone report summarizes the status of all 30 ECP Applications Development (AD) subprojects at the end of FY20. In October and November of 2020, a comprehensive assessment of AD projects was conducted by the ECP leadership. Reviews occurred virtually between October 27, 2020 and November 12, 2020. The review committee—consisting of the AD lead, deputy, and L3—was tasked with evaluating each subproject’s progress in porting their codes to early exascale architectures considered precursors to the planned exascale machines. This includes characterizing which modules have been ported to multi-accelerator nodes, initial performance analyses, the status of software integration, and a current vision of successes, obstacles, and next steps. As such, this report contains not only an accurate snapshot of each subproject’s current status but also represents an unprecedentedly broad account of experiences in porting large scientific applications to next-generation high-performance computing architectures.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Mitigating cosmic-ray-like correlated events with a modular quantum processor

Quantum processors based on superconducting qubits are being scaled to larger qubit numbers, enabling the implementation of small-scale quantum error-correction codes. However, catastrophic chip-scale correlated errors have been observed in these processors, attributed to, e.g., cosmic ray impacts, which challenge conventional error-correction codes such as the surface code. These events are characterized by a temporary but pronounced suppression of the qubit-energy relaxation times. Here, in this study, we explore the potential for modular quantum computing architectures to mitigate such correlated energy decay events. We measure cosmic-ray-like events in a quantum processor comprising a motherboard and two flip-chip bonded daughterboard modules, each module containing two superconducting qubits. We monitor the appearance of correlated qubit decay events within a single module and across the physically separated modules. We find that while decay events within one module are strongly correlated (over 85%), events in separate modules only display approximately 2% correlations. We also report coincident decay events in the motherboard and in either of the two daughterboard modules, providing further insight into the nature of these decay events. These results suggest that modular architectures, combined with bespoke errorcorrection codes, offer a promising approach for protecting future quantum processors from chip-scale correlated errors.

Wu, Xuntao [Univ. of Chicago, IL (United States)] ↗

DOE OSTI2023

A Comparison of Power Take-Off Architectures for Wave-Powered Reverse Osmosis Desalination of Seawater with Co-Production of Electricity

Several power take-off (PTO) architectures for wave-powered reverse osmosis (RO) desalination of seawater are introduced and compared based on the annual average freshwater production and the size of the components, which strongly relate to the costs of the system. The set of architectures compared includes a novel series-type PTO architecture not previously considered. These seawater hydraulic PTO architectures are composed of a WEC-driven pump, an RO module, an intake charge pump driven by an electric motor, and a hydraulic motor driving an electric generator for electric power production. This study is performed using an efficient two-way coupled steady-state model for the average performance of the system in a given sea state, including freshwater permeate production, electric power production, and electric power consumption. A multi-objective design problem is formulated for the purposes of this comparative study, with the objectives of maximizing annual freshwater production, minimizing the displacement of the WEC-driven pump, and minimizing the installed RO membrane area. This establishes a framework for comparison in the absence of a mature techno-economic model. The requirement that the system produces enough electric power to meet its consumption is applied as a constraint on the operation of the system. The oscillating wave surge converter Oyster 1 is assumed as the WEC. Weights on performance of the system in a given sea state are based on historical data from Humboldt Bay, CA. This study finds that (1) architectures in a series configuration allow for a reduction in the WEC-driven pump size of 59–92% compared to prior work, (2) varying the displacement of the WEC-driven pump between sea conditions does not provide any significant advantage in performance, and (3) varying the active RO membrane area between sea condition offers improvements between 7% and 41% in each design objective.

Energy & Fuels↗

DOE OSTI2020

Enhanced NO, CO and C 3 H 6 conversion on Pt/Pd catalysts: Impact of oxygen storage material and catalyst architecture

Simultaneous conversion of NO, CO and C 3 H 6 under stoichiometric conditions was carried out on washcoated monoliths containing oxygen storage material (OSM)-promoted mixed Platinum group metals (PGM: Pt(95 %)/Pd(5 %)), to evaluate OSM promotion and to identify the best architecture. The studied OSMs include ceria-zirconia (Ce 0.3 Zr 0.7 O 2 ; CZO) and mixed metal oxide spinel (Mn 0.5 Fe 2.5 O 4 ; MFO). PGM supported directly on the OSM was found to be the best design for CZO, leading to a ~70 °C simultaneous decrease in the light-off temperature (T 80 ; feed temperature giving 80 % conversion) for NO, CO and C 3 H 6 conversion compared to the alumina-supported PGM. Close coupling between the PGM and CZO is responsible for the activity promotion. In contrast, a dual-layer architecture (top PGM layer, bottom MFO layer) outperformed the MFO-supported PGM catalyst. The dual-layer PGM-MFO catalyst decreased the T 80 by ~50 °C for NO, CO and C 3 H 6 conversion compared to the PGM-only catalyst. Enhancement obtained with the dual-layer PGM-MFO architecture relies on a direct catalytic contribution from the spinel. During lean/rich modulation the addition of CZO or spinel helps to mitigate the detrimental impact of modulation on NO, CO and C 3 H 6 conversion above 400 °C. The data suggest that both CZO and MFO can buffer lean/rich modulation but exhibit preference to different reductants; CZO-supported PGM and dual-layer PGM-MFO show no conversion decrease during modulation for CO or C 3 H 6 modulation, respectively. Dynamic oxygen storage capacity (DOSC) measurements show that the spinel exhibits ~10 times higher DOSC than CZO for both CO and C 3 H 6 reductants. Both CO and C 3 H 6 are equally effective reductants for the MFO but CO is better for CZO and PGM-deposited CZO. The study provides useful insight into benefits of OSM and provides guidance for optimization of the multi-component PGM + OSM catalyst composition and architecture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

N and OH-Immobilized Cu 3 Clusters In Situ Reconstructed from Single-Metal Sites for Efficient CO 2 Electromethanation in Bicontinuous Mesochannels

Cu-based catalysts hold promise for electrifying CO 2 to produce methane, an extensively used fuel. However, the activity and selectivity remain insufficient due to the lack of catalyst design principles to steer complex CO 2 reduction pathways. Herein, we develop a concept to design carbon-supported Cu catalysts by regulating Cu active sites’ atomic-scale structures and engineering the carbon support’s mesoscale architecture. This aims to provide a favorable local reaction microenvironment for a selective CO 2 reduction pathway to methane. In situ X-ray absorption and Raman spectroscopy analyses reveal the dynamic reconstruction of nitrogen and hydroxyl-immobilized Cu 3 (N,OH-Cu 3 ) clusters derived from atomically dispersed Cu–N 3 sites under realistic CO 2 reduction conditions. The N,OH-Cu 3 sites possess moderate *CO adsorption affinity and a low barrier for *CO hydrogenation, enabling intrinsically selective CO 2 -to-CH 4 reduction compared to the C–C coupling with a high energy barrier. Importantly, a block copolymer-derived carbon fiber support with interconnected mesopores is constructed. The unique long-range mesochannels offer an H 2 O-deficient microenvironment and prolong the transport path for the CO intermediate, which could suppress the hydrogen evolution reaction and favor deep CO 2 reduction toward methane formation. Thus, the newly developed catalyst consisting of in situ constructed N,OH-Cu 3 active sites embedded into bicontinuous carbon mesochannels achieved an unprecedented Faradaic efficiency of 74.2% for the CO 2 reduction to methane at an industry-level current density of 300 mA cm –2 . In conclusion, this work explores effective concepts for steering desirable reaction pathways in complex interfacial catalytic systems via modulating active site structures at the atomic level and engineering pore architectures of supports on the mesoscale to create favorable microenvironments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Phonon-informed Neural Thermal Scattering (NeTS) Optimization for Crystalline Graphite and Beryllium Metal

Fast neutrons born from fission lose energy through scattering interactions in the process of slowing-down. As neutrons thermalize to the order of $k$ $b$ $T$ (where $k$ $b$ is the Boltzmann constant, and $T$ is the temperature of the medium), their de Broglie wavelength and energy approaches the order of inter-atomic spacing and quantized lattice vibrations, i.e., phonons. At thermal energies, the thermal scattering law (TSL), i.e., $S$($α, β$), captures crystal binding contributions to the total reaction rate, or cross section. This dimensionless material property describes the energy ($β$) and momentum ($α$) exchanges available in a medium. Currently, $S$($α, β$) is evaluated in the Full Law Analysis Scattering System Hub (FLASSH) code for discrete inputs and stored as ENDF/B File 7 for 0-phonon elastic (MT 2) and n-phonon inelastic (MT 4) processes. Further processing recasts $S$($α, β$) into cumulative distribution functions for sampling post-collision scattering kinematics. In practice, interpolation schemes are employed to access data between tabulated values. An improvement to this juncture of the nuclear data pipeline is supplying cross sections on-the-fly (OTF), as has been developed for the un-resolved resonance region to minimize non-physical interpolation errors. This capability may improve simulation accuracy for accident and transient analyses, where rapidly varying changes in temperature and pressure are difficult to predict beforehand. To do so, deep artificial neural networks (ANNs) can be employed which collapse non-linear, complex data into a lightweight dictionary of neural weights and biases. This has been successfully demonstrated for the hydrogen in light water $S$($α, β$) dataset in the form of a Neural Thermal Scattering (NeTS) module. In this work, the NeTS framework is extended to consider the impact of material-dependent dynamical features on optimal neural pre-processing and architecture design decisions, such as number of neurons per hidden layer, residual skip connections and neural depth. New NeTS modules for crystalline graphite and beryllium metal illuminate a novel correlation between dynamical nonlinearity and optimal neural parametrization when deploying $S$($α, β$) on-the-fly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

1 kV, 10-kW SiC-Based Quadruple Active Bridge DCX Stage in a DC to Three-Phase AC Module for Medium-Voltage Grid Integration

Interfacing low voltage dc to medium voltage three-phase ac grid is often based on series-stackable modular converter architectures. To minimize energy storage requirements, it is advantageous to employ a quadruple active bridge (QAB) stage operating as a "dc transformer" in each stackable module. The QAB stage offers three isolated dc link voltages, which then allow for flexible stacking of three single-phase dc-to-ac inverter stages. Each of the module phases processes a pulsating power having a component at twice the line frequency. This presents a challenge in maintaining zero voltage switching (ZVS) on the secondary sides of the QAB during low-power portions of the line cycle. This article is focused on the design of the QAB stage. A detailed analysis of ZVS switching waveforms is presented, including effects of nonlinear device capacitances. It is shown how ZVS can be achieved at all times using a relatively small circulating current provided by the magnetizing inductance of the high-frequency transformer. Analytical expressions are given for the optimal values of the magnetizing inductance and the dead times of the QAB primary and secondary bridges. This approach is verified by experimental results on a 1 kV, 10-kW SiC-based prototype, demonstrating a relatively flat efficiency curve with a peak efficiency of 97.1% at 75% load.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Polyubiquitin ligand-induced phase transitions are optimized by spacing between ubiquitin units

Biomolecular condensates form via multivalent interactions among key macromolecules and are regulated through ligand binding and/or posttranslational modifications. One such modification is ubiquitination, the covalent addition of ubiquitin (Ub) or polyubiquitin chains to target macromolecules. Specific interactions between polyubiquitin chains and partner proteins, including hHR23B, NEMO, and UBQLN2, regulate condensate assembly or disassembly. Here, we used a library of designed polyubiquitin hubs and UBQLN2 as model systems for determining the driving forces of ligand-mediated phase transitions. Perturbations to either the UBQLN2-binding surface of Ub or the spacing between Ub units reduce the ability of hubs to modulate UBQLN2 phase behavior. By developing an analytical model based on polyphasic linkage principles that accurately described the effects of different hubs on UBQLN2 phase separation, we determined that introduction of Ub to UBQLN2 condensates incurs a significant inclusion energetic penalty. This penalty antagonizes the ability of polyUb hubs to scaffold multiple UBQLN2 molecules and cooperatively amplify phase separation. The extent to which polyubiquitin hubs promote UBQLN2 phase separation is encoded in the spacings between Ub units. This spacing is modulated by chains of different linkages and designed chains of different architectures, thus illustrating how the ubiquitin code regulates functionality via the emergent properties of the condensate. The spacing in naturally occurring linear polyubiquitin chains is already optimized to promote phase separation with UBQLN2. We expect our findings to extend to other condensates, emphasizing the importance of ligand properties, including concentration, valency, affinity, and spacing between binding sites in studies and designs of condensates.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Open Radiation Monitoring: Histogram Builder Module Design

The Open Radiation Monitoring Project seeks to develop and demonstrate a modular radiation detection architecture designed specifically for use in arms control treaty verification (ACTV) applications that will facilitate rapid development of trusted systems to meet the needs of potential future treaties. A modular architecture can be used to reduce more complex systems to a series of single purpose building blocks, thereby facilitating equipment inspection and in turn building trust in the equipment by all treaty parties. Furthermore, a modular architecture can be used to control data flow within the measurement system, reducing the risk of "hidden switches" and constraining the amount of sensitive information that could potentially be inadvertently leaked. This report details the first revision of a prototype circuit that will convert analog pulses directly into a histogrammed data set for further processing. The circuit was designed with both spectroscopy and multiplicity analysis in mind but can, in principle, be used to reduce any raw data stream into a histogram. The number of output channels is limited, and the histogram bin ranges are user configurable to allow for non-uniform and discontinuous bins, which makes it possible to restrict the information being passed down stream if desired. Pulse processing relies entirely on analog circuitry and non- programmable logic, which enables operation without the need for a central processor or other programmable control unit. The circuit remains untested under the Open Radiation Monitoring project due to the closure of the sponsoring program. However, further development and testing is scheduled to take place in support of a purpose-built trusted verification system development effort known as COGNIZANT, which demonstrates the potential benefit of developing a suite of modular trusted system components.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Synchronous micromechanically resonant programmable photonic circuits

Abstract Programmable photonic integrated circuits (PICs) are emerging as powerful tools for control of light, with applications in quantum information processing, optical range finding, and artificial intelligence. Low-power implementations of these PICs involve micromechanical structures driven capacitively or piezoelectrically but are often limited in modulation bandwidth by mechanical resonances and high operating voltages. Here we introduce a synchronous, micromechanically resonant design architecture for programmable PICs and a proof-of-principle 1×8 photonic switch using piezoelectric optical phase shifters. Our design purposefully exploits high-frequency mechanical resonances and optically broadband components for larger modulation responses on the order of the mechanical quality factor Q m while maintaining fast switching speeds. We experimentally show switching cycles of all 8 channels spaced by approximately 11 ns and operating at 4.6 dB average modulation enhancement. Future advances in micromechanical devices with high Q m , which can exceed 10000, should enable an improved series of low-voltage and high-speed programmable PICs.

42 ENGINEERING↗

DOE OSTI2021

System architecture and method of processing data therein

A system architecture encoded on a non-transitory computer readable medium, the system architecture includes a first protocol. The first protocol is configured to receive a plurality of outputs from an ICS used in controlling an industrial system. The first protocol is configured to receive a plurality of inputs from a physical module. The physical module includes at least one of a component, a sensor, or the ICS. Additionally, the system architecture includes a second protocol, wherein the second protocol is configured to validate the plurality of inputs from the first protocol. Moreover, the system architectures includes a third protocol, wherein the third protocol is configured to validate the plurality of outputs from the first protocol. Further, the system architecture includes a fourth protocol, wherein the fourth protocol is configured to manage the ICS based on the second protocol and the third protocol.

Abdel-Khalik, Hany S.↗

DOE OSTI2024

System architecture and method of processing data therein

Abdel-Khalik, Hany S.↗

DOE OSTI2022

A Modern Ethernet Data Acquisition Architecture for Fermilab Beam Instrumentation

The Fermilab Accelerator Division, Instrumentation Department is adopting an open-source framework to replace our embedded VME-based data acquisition systems. Utilizing an iterative methodology, we first moved to embedded Linux, removing the need for VxWorks. Next, we adopted Ethernet on each data acquisition module eliminating the need for the VME backplane in addition to communicating with a rack mount server. Development of DDCP (Distributed Data Communications Protocol), allowed for an abstraction between the firmware and software layers. Each data acquisition module was adapted to read out using 1 GbE and aggregated at a switch which up linked to a 10 GbE network. Current development includes scaling the system to aggregate more modules, to increase bandwidth to support multiple systems and to adopt MicroTCA as a crate technology. The architecture was utilized on various beamlines around the Fermilab complex including PIP2IT, FAST/IOTA and the Muon Delivery Ring. In summary, we were able to develop a data acquisition framework which incrementally replaces VxWorks & VME hardware as well as increases our total bandwidth to 10 Gbit/s using off the shelf Ethernet technology.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Bridge Connectivity Dictates Spin Interactions and Triplet Pair Dynamics in Intramolecular Singlet Fission

Electron spin plays a critical role in determining the structure, dynamics, and reactivities of molecular excited states, including multiexciton processes such as singlet fission. These systems exhibit triplet pair states whose excited state dynamics can be widely tuned through molecular engineering. For example, the electronic coupling between covalently linked chromophores can be readily modulated using chemical bridges to control proximity, quantum interference, or resonance effects. However, less is known about how spin coupling interactions are impacted by chromophore architecture, and how this influences triplet pair recombination dynamics. Here, in this study, we investigate the role of bridge connectivity and chromophore identity in modulating interchromophore exchange and dipolar coupling interactions for a series of pentacene and tetracene dimers bridged by alternant hydrocarbons (phenylene, naphthalene, anthracene). Using both time-resolved electron paramagnetic resonance and transient absorption spectroscopy, we find that the boundedness and recombination pathways of the triplet pair spins are highly sensitive to molecular architecture and chromophore-specific magnetic dipolar interactions. Notably, nominally ferromagnetic and antiferromagnetic eigenstates result in distinct spin state orderings, consistent with predictions from quantum interference-based graphical models. These findings establish new design principles for tuning spin dynamics in iSF materials, with implications for photonic and quantum information applications.

He, Guiying [City Univ. of New York (CUNY), NY (Un↗