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At least 91 records · Page 5

Bayesian calibration of irradiated graphite property models under high temperatures

Graphite under high temperatures and irradiation is central to advanced reactors. We develop a Bayesian calibration framework for graphite property models that explicitly represents model-data mismatch via a Gaussian-process discrepancy. The approach propagates uncertainty from parameters, experimental noise, and model form, with a hierarchical variance structure to capture group and cross-group noise. Using two predictive models across five grades (IG-110, NBG-18, PCEA, NBG-17, 2114) and four properties-irradiation-induced dimension change, creep, Young’s modulus change ratio, and coefficient of thermal expansion change ratio-we obtain average predictive-error reductions of 54%, 65%, 17%, and 17% when discrepancy is included. We illustrate engineering impact with a multiphysics model of a very-high-temperature reactor prismatic reflector brick, analyzing stresses under high fluence and temperature. Accounting for model discrepancy markedly improves predictive accuracy and provides a robust basis for reliable graphite component design in advanced reactors.

36 - MATERIALS SCIENCE

A simplified fuel control approach for low cost aircraft gas turbines

Reduction in the complexity of gas turbine fuel controls without loss of control accuracy, reliability, or effectiveness as a method for reducing engine costs is discussed. A description and analysis of hydromechanical approach are presented. A computer simulation of the control mechanism is given and performance of a physical model in engine test is reported.

Gold, H.

Terrestrial nitrous oxide cycles and atmospheric effects

The basic processes that cause N2O emission from soils are briefly discussed, and the rate of the processes is shown to vary widely in space and time, depending on soil, climate, and agrotechnical conditions. Although significant amounts of N2O are indeed emitted from the land, the complexity of the soil processes involved and the wide variation of measured rates still prevents the quantitative evaluation, global budgeting, and reliable prediction of atmospheric N2O. Increased atmospheric N2O abundance increases the levels of odd-nitrogen in the stratosphere, which, in turn, decreases the stratospheric ozone density via a catalytic cycle. Using appropriate atmospheric models and current chemical kinetic data, it has been found that the dependence of ozone reduction on N2O increase is nearly linear; a simulated doubling of N2O leads to a predicted decrease of about 14 percent in total ozone column density. A 10 percent increase in N2O yields a predicted increase in nonmelanoma skin cancer of several percent, and a possible raising of surface temperature of 0.03 K.

Whitten, R. C.

Time-Resolved X-ray Emission Spectroscopy and Synthetic High-Spin Model Complexes Resolve Ambiguities in Excited-State Assignments of Transition-Metal Chromophores: A Case Study of Fe-Amido Complexes

To fully harness the potential of abundant metal coordination complex photosensitizers, a detailed understanding of the molecular properties that dictate and control the electronic excited-state population dynamics initiated by light absorption is critical. In the absence of detectable luminescence, optical transient absorption (TA) spectroscopy is the most widely employed method for interpreting electron redistribution in such excited states, particularly for those with a charge-transfer character. The assignment of excited-state TA spectral features often relies on spectroelectrochemical measurements, where the transient absorption spectrum generated by a metal-to-ligand charge-transfer (MLCT) electronic excited state, for instance, can be approximated using steady-state spectra generated by electrochemical ligand reduction and metal oxidation and accounting for the loss of absorptions by the electronic ground state. However, the reliability of this approach can be clouded when multiple electronic configurations have similar optical signatures. Using a case study of Fe(II) complexes supported by benzannulated diarylamido ligands, we highlight an example of such an ambiguity and show how time-resolved X-ray emission spectroscopy (XES) measurements can reliably assign excited states from the perspective of the metal, particularly in conjunction with accurate synthetic models of ligand-field electronic excited states, leading to a reinterpretation of the long-lived excited state as a ligand-field metal-centered quintet state. Furthermore, a detailed analysis of the XES data on the long-lived excited state is presented, along with a discussion of the ultrafast dynamics following the photoexcitation of low-spin Fe(II)-N amido complexes using a high-spin ground-state analogue as a spectral model for the 5 T 2 excited state.

14 SOLAR ENERGY

Demand Response in Residential Energy Code: Technical Brief

As buildings account for over 75% of U.S. electricity use, effectively managing their loads can greatly facilitate the transition towards a clean, reliable grid. Grid-interactive efficient buildings (GEBs) combine efficiency and demand flexibility with smart technologies and communication to provide occupant comfort and productivity while serving the grid as a distributed energy resource (DER). In turn, GEBs can play a key role in ensuring access to an affordable, reliable, sustainable, and modern U.S. electric power system. Their national adoption could provide $\$$100-200 billion in U.S. electric power system cost savings over the next two decades. The associated reduction in CO 2 emissions is estimated at 6% per year by 2030 (DOE 2021). Building codes represent standard design practice in the construction industry and continually evolve to include advanced technologies and innovative practices. Historically, national model energy codes establish minimum efficiency requirements for new construction (ICC 2020). Expanding codes to support GEB capabilities is a pivotal step towards realizing demand flexibility in support of a clean grid by addressing capabilities to improve interoperability between smart building systems, the grid, and renewable energy resources. Realizing GEBs requires buildings with automated demand response (DR) capabilities that enable standardized communication with or control of, subject to explicit consumer consent, energy smart appliances or home energy management systems. This is achieved through direct or indirect (i.e., via an aggregator) communication between appliances and the electric grid. Energy codes can also support DR communication standardization and advance the deployment of building-integrated DERs such as energy storage, generation, and electric vehicles (EVs). Incorporating automated DR capabilities in energy codes provides many benefits to the consumers. Specifically, it aligns building electric load demand with intermittent renewable energy source availability, decreases peak load on the electric grid, allows buildings to respond to utility price signals, supports electrical network reliability and market growth of products and processes aligned with clean economic growth. The incorporation of DR into the model residential energy codes was considered for both the 2021 and 2024 International Energy Conservation Code (IECC) code development cycles. The approved DR measures in the 2021 cycle were removed in response to appeals (ICC 2020). Updated language was presented for consideration again for the 2024 IECC, where it was negotiated and again approved, and again removed in response to appeals (ICC 2024). This resulted in many sections, including sections on demand responsive controls, being moved to the credits options or an appendix as a voluntary application. This technical brief updates the proposed DR components such that they can be considered by states and local governments for direct incorporation into their codes, as well as for future IECC energy code development. The proposal refinements are intended to support consistency in approach and provide a degree of certainty for building owners, designers, contractors, manufacturers, and building and fire safety professionals. The scope of this technical brief includes three strategies for DR in residential buildings: 1) smart thermostats with demand-responsive control, 2) electric water heating incorporating demand-responsive controls and communication and 3) grid Integrated solar and energy storage systems.

2021 IECC

Distance preserving machine learning for uncertainty aware accelerator capacitance predictions

Abstract Accurate uncertainty estimations are essential for producing reliable machine learning models, especially in safety-critical applications such as accelerator systems. Gaussian process models are generally regarded as the gold standard for this task; however, they can struggle with large, high-dimensional datasets. Combining deep neural networks with Gaussian process approximation techniques has shown promising results, but dimensionality reduction through standard deep neural network layers is not guaranteed to maintain the distance information necessary for Gaussian process models. We build on previous work by comparing the use of the singular value decomposition against a spectral-normalized dense layer as a feature extractor for a deep neural Gaussian process approximation model and apply it to a capacitance prediction problem for the High Voltage Converter Modulators in the Oak Ridge Spallation Neutron Source. Our model shows improved distance preservation and predicts in-distribution capacitance values with less than 1% error.

43 PARTICLE ACCELERATORS

High-Performance Computing Based EMT Simulation: Power Grid with IBRs

Electromagnetic transient (EMT) simulation of power grids with high-fidelity models of inverter-based resources (IBRs) is time-consuming and difficult to scale. The necessity for high-fidelity models of IBRs that incorporate the dynamics of individual inverters within IBRs has been showcased in recent studies. These studies focused on events with partial power reduction in each IBR during a transmission line fault in the power grid. These types of events have been documented in multiple North American Electric Reliability Council (NERC) reports in the past decade. It is imperative then to find solutions to speed-up EMT simulations and scale the size of the region with IBRs studied in EMT simulations. In this paper, a combination of numerical simulation algorithms with high-performance computing techniques are employed in discretization and linear solvers employed in the proposed RE-INTEGRATE EMT simulation platform for power grid with IBRs. For ease of scalability, modular and object-oriented programming is used as these techniques are implemented. Additionally, automation software is developed to convert legacy software codes to the proposed RE-INTEGRATE EMT simulation platform. Thereafter, this platform is evaluated on multi-core central processing units (CPUs). Finally, scale-up tests are performed to showcase the scalability that is possible.

Marthi, Phani Ratna Vanamali [ORNL] (ORCID:0000000

Persistent Sampling: Enhancing the Efficiency of Sequential Monte Carlo

Sequential Monte Carlo (SMC) samplers are powerful tools for Bayesian inference but suffer from high computational costs due to their reliance on large particle ensembles for accurate estimates. We introduce persistent sampling (PS), an extension of SMC that systematically retains and reuses particles from all prior iterations to construct a growing, weighted ensemble. By leveraging multiple importance sampling and resampling from a mixture of historical distributions, PS mitigates the need for excessively large particle counts, directly addressing key limitations of SMC such as particle impoverishment and mode collapse. Crucially, PS achieves this without additional likelihood evaluations-weights for persistent particles are computed using cached likelihood values. This framework not only yields more accurate posterior approximations but also produces marginal likelihood estimates with significantly lower variance, enhancing reliability in model comparison. Furthermore, the persistent ensemble enables efficient adaptation of transition kernels by leveraging a larger, decorrelated particle pool. Experiments on high-dimensional Gaussian mixtures, hierarchical models, and non-convex targets demonstrate that PS consistently outperforms standard SMC and related variants, including recycled and waste-free SMC, achieving substantial reductions in mean squared error for posterior expectations and evidence estimates, all at reduced computational cost. PS thus establishes itself as a robust, scalable, and efficient alternative for complex Bayesian inference tasks.

Karamanis, Minas

Electrical and Spectroscopic Diagnostics as Real‐Time Metallization Indicators During Hydrogen Plasma Smelting Reduction

This study investigates the hydrogen (H 2 ) plasma reduction process of direct-reduced-iron-grade hematite ore at different arc currents (100–200 A) in an Ar–5% H 2 atmosphere at 0.9 bar. Iron ore samples (10 g) were exposed to a plasma arc, and the reduction/metallization kinetics were analyzed over fixed time intervals. Electrical diagnostics revealed that the arc voltage exhibited takeover-mode oscillations which were suppressed at higher currents due to stronger electromagnetic coupling. The voltage dropped significantly as metallization approached ∼95%, linked to increased electrical conductivity of the metallic iron (Fe) in the ore as well as Fe evaporation into the arc, lowering the arc resistance. A simplified Elenbaas–Heller model supported this explanation and confirmed that Fe vapor concentration enhances plasma conductivity. Optical emission spectroscopy focused on the plasma–metal interface revealed the plasma's optically thick nature, as the primary Fe I 526.95 nm line experienced self-absorption. However, weaker Fe I lines (404.58, 438.35 nm) normalized to Ar I 696.5 nm provided a reliable proxy for metallization. These diagnostics, electrical and spectroscopic, effectively track metallization in real-time during H 2 plasma smelting reduction.

08 HYDROGEN

Earth reencounter probabilities for aborted space disposal of hazardous nuclear waste

A quantitative assessment is made of the long-term risk of earth reencounter and reentry associated with aborted disposal of hazardous material in the space environment. Numerical results are presented for 10 candidate disposal options covering a broad spectrum of disposal destinations and deployment propulsion systems. Based on representative models of system failure, the probability that a single payload will return and collide with earth within a period of 250,000 years is found to lie in the range .0002-.006. Proportionately smaller risk attaches to shorter time intervals. Risk-critical factors related to trajectory geometry and system reliability are identified as possible mechanisms of hazard reduction.

Friedlander, A. L.

Design of the hybrid automated reliability predictor

The design of the Hybrid Automated Reliability Predictor (HARP), now under development at Duke University, is presented. The HARP approach to reliability prediction is characterized by a decomposition of the overall model into fault-occurrence and fault-handling sub-models. The fault-occurrence model is a non-homogeneous Markov chain which is solved analytically, while the fault-handling model is a Petri Net which is simulated. HARP provides automated analysis of sensitivity to uncertainties in the input parameters and in the initial state specifications. It then produces a predicted reliability band as a function of mission time, as well as estimates of the improvement (narrowing of the band) to be gained by a specified amount of reduction in uncertainty.

Geist, R.

Harnessing Virtual Power Plants Reliably: Enabling tools for increased observability, controllability, operation, and aggregation of distributed energy resources

Harnessing virtual power plants enhances the integration of distributed energy resources into utility grids for a sustainable energy future. Virtual power plants (VPPs) aggregate DERs to enhance resource adequacy and reduce emissions. U.S. utilities are exploring various technologies to manage DERs effectively. FERC Order 2222 allows DERs to participate in both wholesale and retail markets. Enhancing observability and controllability of behind-the-meter (BTM) DERs is essential for reliable grid operations. A hierarchical control architecture can improve coordination among residential energy resources. Field tests showed nearly 20% energy savings and 30% peak power reduction during grid events. Effective management of DERs requires enhanced situational awareness to prevent grid congestion. Integrating DER management systems (DERMS) with existing planning tools can improve operational security. Near-real-time grid models can validate optimal resource set points against resource uncertainty. Traditional uninterruptible power supplies (UPS) can be upgraded to support grid services and become part of VPPs. Upgrading UPS systems can reduce costs by 75% and unlock significant battery capacity. New battery management systems and grid-aware controllers are essential for optimizing UPS performance. Continued research and development are necessary to address challenges in integrating DERs into utility grids. Encouraging customer participation in pilot programs is vital for the evolution of VPPs. Here, the shift towards price-responsive DERs and VPPs is expected to enhance energy distribution efficiency.

24 POWER TRANSMISSION AND DISTRIBUTION

Hybrid PDES Simulation of HPC Networks Using Zombie Packets

Although high-fidelity network simulations have proven to be reliable and cost-effective tools to peer into architectural questions for high-performance computing (HPC) networks, they incur a high resource cost. The time spent in simulating a single millisecond of network traffic in the highest detail can take hours, even for static, well-behaved traffic patterns such as uniform random. Surrogate models offer a significant reduction in runtime, yet they cannot serve as complete replacements and should only be used when appropriate. Thus, there is a need for hybrid modeling, where high-fidelity simulation and surrogates run side-by-side. Here, we present a surrogate model for HPC networks in which: packets bypass the network, while the network state is left untouched, i.e., suspended. To bypass the network, we use historical data to estimate the arrival time at which every packet should be scheduled at; to suspend the network, all in-flight packets are scheduled to arrive at their destinations, and are kept in the system to awaken as zombies when switching back to high-fidelity. Speedup for a hybrid model is relative to the proportion of surrogate to high-fidelity. This light-weight surrogate obtained up to 76× speedup. Keeping the zombies in the network showed an increase in the accuracy of the high-fidelity simulation on restart when compared to restarting the network from an empty state.

HPC networks

The Grid Value of Ocean Current Energy in Florida

Ocean current energy technology has been proposed as a potential contributor to Florida's energy portfolio. There has been limited investigation of how this energy would be valued when integrated into the Florida electrical grid. This study assesses three future grid scenarios to evaluate the impact of adding zero-cost ocean current energy to each. The Resource Planning Model, a tool developed by the National Renewable Energy Laboratory, is used to identify the least-cost generation mix through 2050, with and without ocean current energy. The first scenario is a base case and assumes existing policies in which the addition of ocean current energy does not retire fossil-based technologies but variable generation technologies. In the second scenario, solar and storage technologies are lower cost, and the addition of ocean current generation enables those technologies along with wind to retire existing natural gas units earlier. In the third scenario, which requires a 95% reduction in carbon emissions from 2020 levels by 2050, ocean current energy can play a role in decarbonization along with other variable generation technologies. This analysis is intended to inform stakeholders on the opportunity, potential challenges, and overall value to the grid of ocean current technology from a reliability and availability focused perspective.

capacity expansion model

Evaluation of a New Approach for Entrainment and Detrainment Rate Estimation

Entrainment and detrainment rates (ε and δ) constitute the most critical free parameters in mass flux schemes commonly employed for cumulus parameterizations. Recently, Zhu et al. (2021) introduced a new approach that utilizes aircraft observations to simultaneously estimate ε and δ for cumulus clouds, overcoming the limitation of other observation-based approaches that solely yield ε without offering insights into δ. This study aims to comprehensively evaluate the reliability of this new approach. First, evaluation using an Explicit Mixing Parcel Model demonstrates the capability of the new approach to back-calculate predetermined ε and δ based on the physical properties before and after the entrainment mixing. Second, evaluation using large-eddy simulations illustrates that the new approach yields consistent ε and δ profiles compared to the traditional approach. Sensitivity tests indicate a weak sensitivity of the estimated δ with the new approach to the entrained air source. A decrease in the proportion of cloudy air in the assumed detrained air leads to a reduction in the estimated δ, while ε remains unaffected. Finally, the most appropriate assumptions for entrained and detrained air are discussed. Estimating ε for cumulus parameterizations involves acquiring ambient air more than 500 m away from the cloud edge as entrained air. Due to implicit mean field approximations in the traditional approach, determining the optimal assumption for detrained air properties proves challenging. Finally, this study confirms the reliability of the new approach in estimating ε and δ, providing confidence in its application to extensive observational data and advancement in parameterization.

54 ENVIRONMENTAL SCIENCES

A Digital Twin Framework Utilizing Machine Learning for Robust Predictive Maintenance: Enhancing Tire Health Monitoring

We introduce a novel digital twin (DT) framework for the predictive maintenance of long-term physical systems. Using monitoring tire health as an application, we show how the DT framework can be used to enhance automotive safety and efficiency, and how the technical challenges can be overcome using a three-step approach. First, to manage the data complexity over a long operation span, we employ data reduction techniques to concisely represent physical tires using historical performance and usage data. Relying on these data, for fast real-time prediction, we train a transformer-based model offline on our concise dataset to predict future tire health over time, represented as remaining casing potential (RCP). Based on our architecture, our model quantifies both epistemic and aleatoric uncertainties, providing reliable confidence intervals around predicted RCP. Second, to incorporate real-time data, we update the predictive model in the DT framework, ensuring its accuracy throughout its lifespan with the aid of hybrid modeling and the use of the discrepancy function. Third, to assist decision-making in predictive maintenance, we implement a tire state decision algorithm, which strategically determines the optimal timing for tire replacement based on RCP forecasted by our transformer model. This approach ensures that our DT accurately predicts system health, continually refines its digital representation, and supports predictive maintenance decisions. Furthermore, our framework effectively embodies a physical system, leveraging big data and machine learning (ML) for predictive maintenance, model updates, and decision-making.

advanced computing infrastructure

Shielding Considerations for CubeSat Structures During Solar Maximum

The purpose of this lessons learned is to communicate the utility of shielding in small spacecraft planning for the support of mission assurance and reliability. Numerous SmallSats have been flying in polar low earth orbit for scientific, communications, technology demonstrations, and imaging with academic, commercial, and government interests. Shielding has been part of mission assurance and reliability from the advent of long duration spacecraft missions. The Shields-1 CubeSat has been operating in polar low earth orbit since 16 December 2018 with atomic number (Z)-grade radiation shielding and demonstrates shielding effectiveness. Shields-1 has collected a representative example of solar minimum data in 2019 with 8 Teledyne dosimeters over varying shielding effectiveness. It serves as current experimental data and has been compared with NOVICE Shielding estimates using the AP8 –AE8 trapped radiation model with the Shields-1 CAD and generic CubeSat 3 unit (U) models. Using NOVICE model radiation analysis coding, the shielding effectiveness's, based on a generic CubeSat 3U structure with 4 electronic boards, were estimated for aluminum wall thicknesses ranging from 0.204 cmto4.44 cm (0.550 g/cm2–12.0 g/cm2) thick aluminum. For modeled polar orbiting spacecraft, solar maximum total ionizing dose (TID)increases by nearly a magnitude for thin-walled aluminum 0.550g/cm2-0.686 g/cm2(0.204 cm –0.254 cm) typical CubeSat structures. The shielding effectiveness by NOVICE Sigma estimates, which is a shielding sphere approximation around a detector, showed a linear relationship with wall thickness, which increased over the wall thickness by a ratio of 1.43 determined by linear regression analysis. Using NOVICE Adjoint Monte-Carlo Modeling of solar minimum and solar maximum with the inclusion of a worst-case solar particle event over a one year mission without geomagnetic shielding, the TID for minimum and maximum conditions for a generic 3U with a wall thickness of 0.254 cm is 158 RAD and 1540 RAD, respectively. The modeled total solar maximum TID is over estimated, because at low orbital latitudes a spacecraft will have shielding from Earth's magnetic field. However, TID will still be significant at high latitudes over the poles, where a spacecraft is exposed in a solar particle event. In contrast, to a thin walled generic 3U CubeSat, Shields-1 electronics enclosure has a shielding effectiveness of 21.3 g/cm2from NOVICE Sigma modeling and is expected to show reduced total ionizing dose increases during the present active Solar Cycle 25 period. Because solar particle events during solar maximum increase TID on electronic parts with thin-walled shielding in short periods of time, it is a mission assurance and reliability consideration on the spacecraft’s mission value versus adding shielding for risk reduction of premature spacecraft or instrument payload loss. Since the volumes of many instruments and system electronics have reduced with small spacecraft, shielding material costs and weight penalties have diminished. A small spacecraft project budget and schedule may limit traditional radiation-hardened part use and radiation testing requirements, where shielding can contribute to mission assurance and reliability with reduced costs.

Shields-1

Shielding Considerations for CubeSat Structures During Solar Maximum

The purpose of this lessons learned paper is to communicate the utility of shielding in small spacecraft planning for the support of mission assurance and reliability. Numerous SmallSats have been flying in polar low Earth orbit for science, communications, technology demonstrations, and imaging with academic, commercial, and government interests. Shielding has been part of mission assurance and reliability from the advent of long duration spacecraft missions. The Shields-1 CubeSat has been operating in polar low Earth orbit since 16 December 2018 with atomic number (Z)-grade radiation shielding and demonstrates shielding effectiveness. Shields-1 has collected a representative example of solar minimum data in 2019 with eight Teledyne µDosimeters over varying shielding effectivenesses. It serves as current experimental data and has been compared with NOVICE Shielding estimates using the AP8 – AE8 trapped radiation model with the Shields-1 CAD and generic CubeSat three unit (3U) models. Using NOVICE model radiation analysis coding, the shielding effectivenesses, based on a generic CubeSat 3U structure with four electronic boards, were estimated for aluminum wall thicknesses ranging from 0.204 cm to 4.44 cm (0.550 g/cm 2 to 12.0 g/cm 2 ). For modeled polar orbiting spacecraft, solar maximum total ionizing dose (TID) increases by nearly a magnitude for thin-walled aluminum 0.550-g/cm 2 - 0.686-g/cm 2 (0.204-cm – 0.254-cm) typical CubeSat structures. The shielding effectiveness estimated by NOVICE Sigma, which is a shielding sphere approximation around a detector, showed a linear relationship with wall thickness, which increased over the wall thickness by a ratio of 1.43 determined by linear regression analysis. Using NOVICE Adjoint Monte-Carlo Modeling of solar minimum and solar maximum with the inclusion of a worst-case solar particle event over a one-year mission without geomagnetic shielding, the TID for minimum and maximum conditions for a generic 3U with a wall thickness of 0.254 cm is 158 RAD and 1540 RAD, respectively. The modeled total solar maximum TID is over estimated, because at low orbital latitudes a spacecraft will have shielding from the Earth’s magnetic field. However, TID will still be significant at high latitudes over the poles, where a spacecraft is exposed in a solar particle event. In contrast to a thin-walled generic 3U CubeSat, the Shields-1 electronics enclosure has a shielding effectiveness of 21.3 g/cm 2 from NOVICE Sigma modeling and is expected to show reduced total ionizing dose increases during the present active Solar Cycle 25 period. Because solar particle events during solar maximum increase TID on electronic parts with thin-walled shielding in short periods of time, it is a mission assurance and reliability consideration on the mission value of the spacecraft versus adding shielding for risk reduction of premature spacecraft or instrument payload loss. Since the volumes of many instruments and system electronics have reduced with small spacecraft, shielding material costs and weight penalties have diminished. A small spacecraft project budget and schedule may limit traditional radiation-hardened part use and radiation testing requirements, where shielding can contribute to mission assurance and reliability with reduced costs.

Shields-1