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At least 109 records · Page 6

Engineering bimetallic interfaces and revealing the mechanism for carbon dioxide electroreduction to C 3+ liquid chemicals

Reduction reaction of CO 2 (CO 2 RR) to liquid C 3+ chemicals is a net-zero-carbon process and can increase local resiliency to power outages and fuel consumption. The mechanism and the catalyst design rules of CO 2 RR-to-C 3+ are unknown. Engineering bimetallic interface (e.g., Pd/Au) to tune the intermediate adsorption is promising for promoting C 3+ formation. Our density functional theory (DFT) calculations find that *CH 2 could be the key intermediate and C 1 -CH 2 coupling could be the rate-limiting step to generate C 3+ . High CO surface coverages can promote the bimetallic interfacial sites, lower the energetics of the C 1 -CH 2 coupling step, and enhance the C 3+ formation. We further construct a volcano plot of C 1 -CH 2 kinetics as a function of the binding strength of key intermediate *CH 2 via engineering the d-band center of the interfacial site. Our findings could guide the rational design of bimetallic interfaces and their near-surface microenvironment for enhancing CO 2 RR-to-C 3+ .

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Abatement of ionizing radiation for superconducting quantum devices

Ionizing radiation has been shown to reduce the performance of superconducting quantum circuits. In this report, we evaluate the expected contributions of different sources of ambient radioactivity for typical superconducting qubit experiment platforms. Our assessment of radioactivity inside a typical cryostat highlights the importance of selecting appropriate materials for the experiment components nearest to qubit devices, such as packaging and electrical interconnects. We present a shallow underground facility (30-meter water equivalent) to reduce the flux of cosmic rays and a lead shielded cryostat to abate the naturally occurring radiogenic gamma-ray flux in the laboratory environment. We predict that superconducting qubit devices operated in this facility could experience a reduced rate of correlated multi-qubit errors by a factor of approximately 20 relative to the rate in a typical above-ground, unshielded facility. Finally, we outline overall design improvements that would be required to further reduce the residual ionizing radiation rate, down to the limit of current generation direct detection dark matter experiments.

47 OTHER INSTRUMENTATION↗

Constraints on OPF Surrogates for Learning Stable Local Volt/Var Controllers

We consider the problem of learning local Volt/Var controllers in distribution grids (DGs). Our approach starts from learning separable surrogates that take both local voltages and reactive powers as arguments and predict the reactive power setpoints that approximate optimal power flow (OPF) solutions. We propose an incremental control algorithm and identify two different sets of slope conditions on the local surrogates such that the network is collectively steered toward desired configurations asymptotically. Our results reveal the trade-offs between each set of conditions, with coupled voltage-power slope constraints allowing an arbitrary shape of surrogate functions but risking limitations on exploiting generation capabilities, and reactive power slope constraints taking full advantage of generation capabilities but constraining the shape of surrogate functions. AC power flow simulations on the IEEE 37-bus feeder illustrate their guaranteed stability properties and respective advantages in two DG scenarios.

asymptotic stability↗

A Multi-Site Networked Hardware-in-Loop Platform for Evaluation of Interoperability and Distributed Intelligence at Grid-Edge

Electric power systems have experienced large increases in the number of intelligent, connected and controllable devices being deployed, leading to a high degree of distributed intelligence at the grid-edge. These devices, both utility-owned and consumer-owned, include but are not limited to: renewable generation sources, energy storage, remote switches, voltage regulators, and smart controllable loads such as electric vehicles. These new devices provide significant potential for increased operational flexibility that can be leveraged to achieve system reconfiguration, resiliency improvements, power quality improvements, and distribution system automation. However, there are two significant challenges that must be addressed before these assets can be leveraged for operations: interoperability and system level validation prior to deployment. Because of the complexity of distributed control systems, and their interactions with legacy centralized controls, a purely simulations-based approach for pre-deployment validation is not sufficient. It requires hardware-in-loop testing to emulate the operational hardware devices and evaluate their performance. Additionally, securely integrating multiple test facilities at utility operators and vendors might enable rapid scale-up of evaluation platforms, and remove the need for multiple expensive standalone installations. Presented in this paper, is the development of a multi-site evaluation platform that employs Advanced Distribution Management Systems (ADMS), distributed control devices, real-time hardware-in-loop assets, secure communication links, and protocol adapters. This platform uses standards-based approaches and open-source tools, and hence can serve as a template for other researchers and institutions to implement their multi-site evaluation frameworks for pre-deployment testing.

Essakiappan, Somasundaram↗

Balancing Trade-Offs Imposed by Growth Media and Mass Spectrometry for Bacterial Exometabolomics

The bacterial exometabolome consists of a vast array of specialized metabolites, many of which are only produced in response to specific environmental stimuli. For this reason, it is desirable to control the extracellular environment with a defined growth medium composed of pure ingredients. However, complex (undefined) media are expected to support the robust growth of a greater variety of microorganisms than defined media. Here, we investigate the trade-offs inherent to a range of complex and defined solid media for the growth of soil microorganisms, production of specialized metabolites, and detection of these compounds using direct infusion mass spectrometry. We find that complex media support growth of more soil microorganisms, as well as allowing for the detection of more previously discovered natural products as a fraction of total m/z features detected in each sample. However, the use of complex media often caused mass spectrometer injection failures and poor-quality mass spectra, which in some cases resulted in over a quarter of samples being removed from analysis. Defined media, while more limiting in growth, generated higher quality spectra and yielded more m/z features after background subtraction. These results inform future exometabolomic experiments requiring a medium that supports the robust growth of many soil microorganisms.

59 BASIC BIOLOGICAL SCIENCES↗

Fast Data Processing for Hyperspectral Sensors on Small Platforms

Hyperspectral imaging is a very promising technology for nuclear proliferation detection. However, due to size and weight restrictions, small hyperspectral platforms such as satellites and small drones lack the on-board computing resources for accurate, real-time analysis of the enormous flow of data that a continuously operating hyperspectral sensor generates. This severely limits satellite systems, which can collect far more data than what they can telemeter, and hinders the ability of all platforms to adapt their missions on the fly in response to observations. This program addresses the hyperspectral data processing challenge through development of new, fast and accurate algorithms that produce data products in real time. The algorithms circumvent the major computational bottlenecks in existing processing streams, and would be incorporated in lightweight, power-efficient single-board computer systems. The toolkit of fast algorithms will be immediately useful in current and future hyperspectral systems being built by the Government and by private industry, including drone-based systems and satellite constellations that acquire timely global imagery.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Multiscale Modeling of Cr 2 O 3 -doped UO 2 Creep and Fracture (Rev.1)

The pursuit of UO 2 fuel with various dopants (e.g., Cr 2 O 3 and Al 2 O 3 ) for improved accident tolerance due to larger grain sizes and suspected reductions in fission gas release and creep requires advanced modeling and simulation tools. Such tools enable rapid multiscale development and enhanced understanding of material behavior in regimes for which experimental measurements may be lacking. This work builds on previous multiscale modeling efforts targeting the fission gas behavior of Cr 2 O 3 -doped UO 2 , in order to begin exploring the effects of dopants on mechanical properties, with a particular focus on creep and fracture. The results indicate that dislocation climb is the most dominate creep mechanism at almost all temperatures, and sensitivity analyses provide evidence in further support of this claim. The limited experimental data generated by the U.S. Department of Energy’s Advanced Fuels Campaign (AFC) on the tensile strength of Cr 2 O 3 -doped UO 2 indicate that fracture may be less severe in doped specimens. The results on creep and fracture are preliminary, given the large degree of uncertainty associated with the models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Criteria for Determining the Safety of Wireless Technologies at Nuclear Power Plants

This report provides an initial discussion of the potential impact to safety-related/important-to-safety (SR/ITS) systems by the possible expanded use of wireless technologies. One aspect of this discussion is focused on a review of Regulatory Guide (RG) 1.180 Rev. 2 to determine whether any revisions are necessary to reflect the current state of practice in evaluating and protecting instrumentation and control (I&C) systems and components from electromagnetic interference (EMI) or radiofrequency interference (RFI) on safety and nonsafety I&C. Electromagnetic compatibility (EMC) is the ability of a device or system to function satisfactorily in its electromagnetic (EM) environment, which is achieved by limiting the unintentional generation, propagation, and reception of EM energy that may cause unwanted effects such as EMI. The goal of EMC is to ensure the correct operation of different types of equipment in a common EM environment.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Integrating a Microgrid Controller with a Local OpenADR Server

When military microgrids isolate themselves from the main electrical grid, they must locally balance electricity supply and demand. Since local generation may be limited, the current strategy is to shed all but the most critical loads by tripping smart circuit breakers, which must then be reset manually (e.g., ESTCP project EW-201350). This strategy is typically applied at the building level, meaning that entire buildings housing mission critical activities must be excluded from any load management, while those considered non-critical may lose service entirely. The remotely controlled switchgear needed to manage load in this way is very expensive ($\$30,000$-$\$50,000$ per building). While effective at shedding load, this strategy disrupts installation operation and risks damaging equipment during both disconnection and re-energization. With the goals of lowering costs, protecting equipment, and enhancing the agility of DoD microgrids, this report demonstrates the use of cybersecure automated demand response (ADR) technology to manage microgrid loads during grid-independent (a.k.a. "islanded") operation. This automated approach achieves load shedding and shifting through communication signals sent to equipment controllers rather than by cutting off the flow of electricity within the microgrid itself. Because it operates only on the base network, with no connection to external entities, this strategy avoids the main cybersecurity concern raised by past applications of ADR on military bases.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Compare low-gain 1D and 3D models toward a storage ring-based X-ray free-electron-laser oscillator

Fourth-generation diffraction-limited synchrotron light sources (DL-SLS) present a compelling platform for advanced light source applications due to their ultra-low emittance (around tens of picometers), sub-micrometer beam stability, and high repetition rates (greater than 1 MHz). Despite these advantages, fundamental limitations, such as long bunch durations (tens of picoseconds), large relative energy spread (~10⁻³), and low peak current (<300 A), have hindered their effectiveness in free-electron laser (FEL) applications. Using a low-gain three-dimensional (3D) model based on NSLS-II upgrade lattice parameters, we demonstrate that a 6% single-pass gain is achievable with an optimized transverse gradient undulator (TGU). Concurrently, recent advances in X-ray optics—specifically, a four-mirror bow-tie resonator utilizing diamond mirrors and beryllium compound refractive lenses (CRLs)—enable total round-trip losses below 4% and an output coupling efficiency near 1%, rendering a Storage Ring based X-ray FEL oscillator (XFELO) a realistic possibility. In the 3D framework, the TGU effectively mitigates the detrimental effects of large energy spread by spatially dispersing the beam, leading to enhanced gain relative to conventional one-dimensional (1D) models. We establish both analytical and numerical connections between the 1D and 3D descriptions, leveraging GENESIS simulations to map equivalent gain conditions. While 1D resonance is defined in the energy domain, the 3D TGU system shifts the resonance dependence to transverse gradient and dispersion parameters. Once optimized, this framework allows predictive modeling using 1D formulas, which can then be validated through full 3D simulations.

43 PARTICLE ACCELERATORS↗

Geochemical and Hydromechanical Stimulation for Reaction Acceleration (GeoHydRA) of Serpentinization for In Situ Hydrogen Production

The project team aims to develop an innovative approach to stimulate geological hydrogen generation by enhancing in-situ serpentinization of ultramafic rocks. This method can maximize hydrogen production by promoting reactive surface areas through controlled fracturing and optimizing fluid chemistry and flow rates. Key objectives include establishing optimal conditions for hydrogen generation, investigating subsurface limitations, and sustaining production via hierarchical crack systems.

08 HYDROGEN↗

Processes in Salt Repositories for Radioactive Waste Disposal

This document summarizes the key processes (thermal, hydrological, mechanical, and chemical; THMC) impacting the features of a deep geological repository for radioactive waste in salt. Some processes are natural and on-going whether the repository is there or not, and other processes are driven by the perturbation associated with the repository. The features considered here include both engineered and natural components of the repository system. The engineered barrier system (EBS) in a salt repository is quite different from those implemented for a repository in clay or crystalline rocks, because it is comprised mostly of granular salt and salt-compatible cements, rather than bentonite. When compared to other rocks (i.e., silicates), salt has unique properties that make it an excellent potential host rock. Openings and fractures in salt creep closed readily. Salt has high thermal conductivity, which can reduce peak temperatures. Additionally, far away from the excavations the porosity of salt is unconnected, which leads to essentially zero advective or diffusive transport. The small amount of hypersaline brine occurring in salt minimizes microbial activity, reduces colloid-assisted transport, and eliminates in-package criticality (i.e., chloride is a neutron poison). At the end of the report, we present a brief outline for a potential salt repository, including considerations avoided in previous repository disposal concepts. We propose considering higher-temperature processes in future disposal concepts, rather than trying to minimize the thermal perturbation of the repository. Since hot salt is drier, a dry repository would limit corrosion, gas generation, and solute transport. Openings and fractures creep shut faster in hot salt. Therefore, higher temperatures could be seen as beneficial, rather than something to minimize, through increased spacing between waste packages (increasing repository costs).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Gamma Rays from Kilonova: A Potential Probe of r-process Nucleosynthesis

The mergers of compact binaries with at least one neutron star component are the potential leading sites of the production and ejection of r-process elements. Discoveries of galactic binary pulsars, short gamma-ray bursts, and gravitational-wave detections have all been constraining the rate of these events, while the gravitational wave plus broadband electromagnetic coverage of binary neutron star merger (GW170817) has also placed constraints on the properties (mass and composition) of the merger ejecta. But uncertainties and ambiguities in modeling the optical and infrared emission make it difficult to definitively measure the distribution of heavy isotopes in these mergers. In contrast, gamma rays emitted in the decay of these neutron-rich ejecta may provide a more direct measurement of the yields. We calculate the gamma production in remnants of neutron star mergers, considering two epochs: a kilonova epoch, lasting about two weeks, and a much later epoch of tens and hundreds of thousands of years after the merger. For the kilonova epoch, when the expanding ejecta is still only partially transparent to gamma radiation, we use 3D radiative transport simulations to produce the spectra. Futhermore, we show that the gamma-ray spectra associated with beta- and alpha-decay provide a fingerprint of the ejecta properties and, for a sufficiently nearby remnant, may be detectable, even for old remnants. We compare our gamma spectra with the potential detection limits of next generation detectors, including the Lunar Occultation Explorer (LOX), the All-sky Medium Energy Gamma-ray Observatory (AMEGO), and the Compton Spectrometer and Imager (COSI). We show that fission models can be discriminated via the presence of short-lived fission fragments in the remnant spectra.

79 ASTRONOMY AND ASTROPHYSICS↗

Sign-OPT: A Query-Efficient Hard-label Adversarial Attack

We study the most practical problem setup for evaluating adversarial robustness of a machine learning system with limited access: the hard-label black-box attack setting for generating adversarial examples, where limited model queries are allowed and only the decision is provided to a queried data input. Several algorithms have been proposed for this problem but they typically require huge amount (>20,000) of queries for attacking one example. Among them, one of the state-of-the-art approaches (Cheng et al., 2019) showed that hard-label attack can be modeled as an optimization problem where the objective function can be evaluated by binary search with additional model queries, thereby a zeroth order optimization algorithm can be applied. In this paper, we adopt the same optimization formulation but propose to directly estimate the sign of gradient at any direction instead of the gradient itself, which enjoys the benefit of single query. Using this single query oracle for retrieving sign of directional derivative, we develop a novel query-efficient Sign-OPT approach for hard-label black-box attack. We provide a convergence analysis of the new algorithm and conduct experiments on several models on MNIST, CIFAR-10 and ImageNet. We find that Sign-OPT attack consistently requires 5X to 10X fewer queries when compared to the current state-of-the-art approaches, and usually converges to an adversarial example with smaller perturbation.

Cheng, Minhao↗

Apprentice for Event Generator Tuning

Apprentice is a tool developed for event generator tuning. It contains a range of conceptual improvements and extensions over the tuning tool Professor. Its core functionality remains the construction of a multivariate analytic surrogate model to computationally expensive Monte-Carlo event generator predictions. The surrogate model is used for numerical optimization in chi-square minimization and likelihood evaluation. Apprentice also introduces algorithms to automate the selection of observable weights to minimize the effect of mis-modeling in the event generators. We illustrate our improvements for the task of MC-generator tuning and limit setting.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

GANISP: A GAN-Assisted Importance Splitting Probability Estimator

Designing manufacturing processes with high yield and strong reliability relies on effective methods for rare event estimation. Genealogical importance splitting reduces the variance of rare event probability estimators by iteratively selecting and replicating realizations that are headed towards a rare event. The replication step is difficult when applied to deterministic systems where the initial conditions of the offspring realizations need to be modified. Typically, a random perturbation is applied to the offspring to differentiate their trajectory from the parent realization. However, this random perturbation strategy may be effective for some systems while failing for others, preventing variance reduction in the probability estimate. This work seeks to address this limitation using a generative model such as a Generative Adversarial Network (GAN) to generate perturbations that are consistent with the attractor of the dynamical system. The proposed GAN-assisted Importance SPlitting method (GANISP) improves the variance reduction for the system targeted. An implementation of the method is available in a companion repository (https://github.com/NREL/GANISP).

generative adversarial network↗

Pan-sharpening for microscopy

Techniques for generating full-spatial resolution, full spectral resolution image(s) from a 3D spectral-data cube for any spectral value within a given spectral range are provided without requiring the acquisition of all full-spatial resolution, full spectral resolution data by an instrument. The 3D spectral-data cube is generated from a limited number of full-spatial resolution, sparse spectral resolution data and a sparse-spatial resolution, full-spectral resolution data of the same area of the sample. The use of the 3D spectral-data cube reduces the data acquisition time.

Ovchinnikova, Olga S.↗

Key Technical Issues for Greater-Than-Class-C (GTCC) Waste Disposal - 20164

Greater-than-Class C (GTCC) waste is low-level waste (LLW) that exceeds the Class C concentrations tabulated in Title 10, Code of Federal Regulations (CFR), Part 61. Disposal of GTCC waste in the near surface (i.e. upper 30 m of the earth's surface) is prohibited in the United States. Though GTCC waste disposal is generally prohibited, the Commission can approve disposal according to 10 CFR 61.55(a)(2)(iv) on a case-by-case basis. The waste classification tables, developed in the early 1980's, were based on model projections of dose to an inadvertent intruder in agricultural, construction, and discovery exposure scenarios. The assumptions and parameters used were documented in a series of public reports. Though different disposal facility designs and site conditions were considered, the waste classification tables were based on a disposal facility design located in a specific environment. The tables were based on shallow (i.e., top few meters) trench facility designs and did not consider deeper facilities. To determine the suitability of GTCC waste disposal in the near-surface, site-specific analyses must account for differences between GTCC waste and Class A, B, and C LLW (hereafter, traditional LLW). GTCC waste can have concentrations of radionuclides that are much higher than traditional LLW. Because of these higher concentrations, processes that are typically not significant for traditional LLW may be significant with respect to disposal of GTCC waste. These processes include, but are not limited to, heat generation, criticality, and radiolysis. The form of the waste as well as the barriers to release of the waste (e.g. waste package) could be substantially different than they are for traditional LLW. These barriers need to be considered when assessing the impacts of accidents during receipt and placement and in evaluating long-term performance. Some GTCC radioactivity is either embedded in stainless steel or contained in stainless steel barriers. Stainless steel can have very low corrosion rates under a variety of environmental conditions. Finally, and possibly most importantly, GTCC waste would likely need to be disposed deeper than traditional LLW to reduce the probability of disturbance. The waste classification table values of traditional LLW are based on an inadvertent intruder excavating into the waste and bringing some of the material to the land surface. If waste is deeper than approximately 5 m, the excavation scenario becomes very unlikely. Therefore, other intruder scenarios, such as drilling exposure scenarios, need to be evaluated. This paper summarizes key technical issues for the disposal of GTCC waste. Our previous study shows that certain GTCC waste may be suitable for near surface disposal whereas others may not. This study may support ongoing technical analyses assessing potential disposal of GTCC in a near surface disposal facility. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗