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At least 145 records · Page 8

Thermal Extraction Modeling within HYBRID: Nominal and Extraction Conditions in Advanced Reactor Systems

This document details continuing development of thermal extraction modeling within the HYBRID repository, the modeling repository of the Integrated Energy Systems program at Idaho National Laboratory. The focus of the thermal extraction work is setting up template energy conversion systems for advanced reactor systems. Based on these nominal conditions, the IES team is developing extraction capability maps that present the system thermal-to-electric efficiency of the remaining system and the mass extraction fraction capability of these systems when extracting steam at various pressures to send steam to applications at a lower given pressure. These curves are mapped on what has become termed “whale chart” due to the appearance of the results. Multiple advanced reactor systems are complete, and it is anticipated that all four of the main advanced reactor types: advanced light-water reactors, high temperature gas reactors, liquid metal fast reactors, and molten salt reactors, will be complete by the end of the fiscal year.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

HARMONY: Large-Scale Architecture Search for Efficient Hybrid Language Models

As large language models scale to trillions of parameters, their computational and memory requirements present critical challenges for efficient training and deployment. While Mixture of Experts (MoE) architectures enable efficient scaling through sparse parameter activation, and state-space models like Mamba offer linear-time complexity, principled methods for combining these paradigms remain undeveloped. We introduce HARMONY (Hybrid Architecture Research for Mamba, Optimized with Neural efficiencY), a multi-objective evolutionary neural architecture search framework for discovering efficient hybrid language models that integrate Transformer attention mechanisms, Mixture-of-Experts routing, and Mamba state-space components. Through large-scale distributed search using 16,384 MI250X GPUs on the Frontier supercomputer, HARMONY explores a comprehensive design space encompassing six attention variants (MHA, MQA, GQA, MLA, SWA, and Mamba-2), variable MoE configurations with both routed and shared experts, and extensive Mamba hyperparameters. Our framework discovers heterogeneous architectures that balance training performance with computational efficiency through multi-objective optimization incorporating latency penalties and fitness-based selection. Analysis of discovered architectures reveals that optimal hybrid designs favor heterogeneous component mixing rather than homogeneous patterns, with Mamba-2 and Multi-Head Latent Attention (MLA) emerging as preferred mechanisms. Discovered architectures demonstrate superior training efficiency: our best configuration achieves a final perplexity of 1.0874 with 2.38B parameters while processing 4,320 tokens/second, outperforming significantly larger manually designed models. Full-scale evaluation shows HARMONY's top architectures achieve better loss trajectories than equivalently-sized models using state-of-the-art configurations including Mixtral, Jamba, and Samba. Additionally, we demonstrate 91% weak scaling efficiency when training discovered 36B-parameter models across 1,024 GPUs. HARMONY is released as an open framework with comprehensive tools for building and training hybrid models using expert-data-pipeline parallelism, democratizing access to automated architecture design for next-generation language models.

Herron, Emily [ORNL] (ORCID:0000000273008172)↗

Constraints On the Emission Geometries and Spin Evolution Of Gamma-Ray Millisecond Pulsars

Millisecond pulsars (MSPs) are a growing class of gamma-ray emitters. Pulsed gamma-ray signals have been detected from more than 40 MSPs with the Fermi Large Area Telescope (LAT). The wider radio beams and more compact magnetospheres of MSPs enable studies of emission geometries over a broader range of phase space than non-recycled radio-loud gamma-ray pulsars. We have modeled the gamma-ray light curves of 40 LAT-detected MSPs using geometric emission models assuming a vacuum retarded-dipole magnetic field. We modeled the radio profiles using a single-altitude hollow-cone beam, with a core component when indicated by polarimetry; however, for MSPs with gamma-ray and radio light curve peaks occurring at nearly the same rotational phase, we assume that the radio emission is co-located with the gamma rays and caustic in nature. The best-fit parameters and confidence intervals are determined using amaximum likelihood technique.We divide the light curves into three model classes, with gamma-ray peaks trailing (Class I), aligned (Class II), or leading (Class III) the radio peaks. Outer gap and slot gap (two-pole caustic) models best fit roughly equal numbers of Class I and II, while Class III are exclusively fit with pair-starved polar cap models. Distinguishing between the model classes based on typical derived parameters is difficult. We explore the evolution of the magnetic inclination angle with period and spin-down power, finding possible correlations. While the presence of significant off-peak emission can often be used as a discriminator between outer gap and slot gap models, a hybrid model may be needed.

pulsars: general↗

A Holistic DSMC Transport Database for Re-Entry and Ablation Modeling

Hybrid simulation frameworks combining Computational Fluid Dynamics (CFD) and Direct Simulation Monte Carlo (DSMC) are frequently employed to efficiently perform high-fidelity solutions of environments containing combined continuum/rarified flow. The use of DSMC, a stochastic, particle-based method, is necessary for high-Knudsen flow where continuum-based assumptions governing CFD break down. However, the DSMC methodology is generally very computationally inefficient to model the continuum regime. In a CFD/DSMC hybrid approach, obtaining an accurate, high-fidelity solution hinges on the consistent treatment of transport properties and the used thermo-chemical models employed within the two solvers. In principle, in regions where CFD and DSMC are both employed, the same gas mixture under the same conditions should have the same properties, regardless of simulation type. Observed differences should be due to non-equilibrium processes, rather than differences in physical models. While the transport models governing CFD and DSMC simulations are starkly different, they can effectively be linked via their use of reduced Chapman-Enskog collision integrals. In CFD, these integrals are typically stored as fitted polynomial expressions and used to directly compute gas transport properties via mixing rules or the full Chapman-Enskog formulation. In DSMC, they can be used to derive the collision parameters needed for the phenomenological collision cross-section models that govern particle interactions, via a Nelder-Mead optimization scheme. The goal of this work is to provide a unified DSMC transport database encompassing the vast majority of known gas species encountered during atmospheric entry, on Earth or any other Solar body. This goal is largely possible due to recently performed ab-initio quantum chemistry calculations. Combined with other high-fidelity literature sources, the planned database will consist of collision integral data for over 200 neutral and ionized species and over 17000 binary collisions. From these collision integrals, Nelder-Mead optimization is used to compute Variable Soft Sphere (VSS) collision model parameters for DSMC, fitted from 300 K to 20000 K. Initial comparisons of transport properties of relevant equilibrium gas mixtures show great agreement between CFD and DSMC-derived results. The completed database will be able to be readily applied to model binary collisions of any gas mixture containing the included species over the specified temperature range, making it a valuable tool for future planetary probe modeling efforts. An example is shown below. Equilibrium mixture transport properties for a 19-species Titan atmospheric model [4] are computed using both fitted VSS parameters and the original CFD collision integral values. Deviations in computed properties between the two approaches is less than 5% for the entire temperature range.

M R Gosma↗

Differentiable hybrid neural network approach for enhancing reactor dynamics simulations

Reactor dynamics simulations provide essential insights into the time-dependent behavior of nuclear reactors under various operating conditions. However, high-fidelity simulations can be computationally intensive, requiring significant computational resources. Here, to address this challenge, this study employs a differentiable hybrid model that utilizes neural networks as a corrector to enhance the performance of a low-fidelity simulation, aligning its predictions with those of a high-fidelity simulation. Low-fidelity and high-fidelity simulations were obtained by adjusting the mesh size in the System Dynamics Analysis Tool. The differentiable hybrid model was trained in two approaches: time-step-wise and sequence-wise. It was then applied to simulate various transients in a molten salt reactor. Its performance was evaluated by comparing its responses to transients against those of the high-fidelity simulation. An additional approach was performed using a data-driven model to correct the low-fidelity simulation. In comparison, the differentiable hybrid model showed significant improvements in transient prediction, effectively addressing the limitations of the low-fidelity simulations. The results highlighted the robustness of the differentiable hybrid model in both training approaches. It delivered simulations that were at least 3.8 times faster than high-fidelity models. In the time-step-wise approach, it achieved at least a 39% improvement in accuracy. In the sequence-wise approach, it showed at least an 81% accuracy improvement over the full transient. This approach offers a promising path for improving computational efficiency without compromising accuracy in nuclear reactor simulations, making it suitable for real-time digital twin applications.

42 - ENGINEERING↗

One System, Many Models: Designing a Surrogate Model for Sulfur Thermal Energy Storage: Preprint

Industrial process heating (IPH) relies primarily on thermal energy generated by fossil fuel combustion to produce, treat, and alter manufactured goods. Thermal energy storage (TES) helps reduce the carbon footprint of IPH systems by facilitating the utilization of renewable and waste heat sources. A promising new TES technology uses elemental sulfur as the heat-storage medium. The design of sulfur TES systems can be evaluated with the aid of computational fluid dynamics (CFD). However, the computational cost of such CFD efforts is prohibitive to comprehensive optimizations over design parameters. To reduce this computational cost, machine learning (ML) models can be developed to act as surrogates for CFD. In this paper, we describe the process of building and evaluating surrogate ML models for facilitating optimization of sulfur TES systems for IPH. To enforce the thermodynamic relationship between the two modeled quantities, we develop a hybrid model for sulfur temperature using both direct predictions of temperature and calculations of temperature from predictions of the heat transfer coefficient. The hybrid model enforces this constraint at the expense of the slightly reduced accuracy compared to two disjoint models. The overall high accuracy observed in our model evaluation demonstrates the usefulness of such surrogate modeling for studying TES systems. This work contributes to the field of TES surrogate modeling by offering a novel accurate hybrid approach to predicting simultaneously the heat transfer coefficient and temperature of the heat storage medium.

computational fluid dynamics↗

Modeling mesoscale fission gas behavior in UO2 by directly coupling the phase field method to spatially resolved cluster dynamics

Abstract Fission gas release within uranium dioxide nuclear fuel occurs as gas atoms diffuse through grains and arrive at grain boundary (GB) bubbles; these GB bubbles grow and interconnect with grain edge bubbles; and grain edge tunnels grow and connect to free surfaces. In this study, a hybrid multi-scale/multi-physics simulation approach is presented to investigate these mechanisms of fission gas release at the mesoscale. In this approach, fission gas production, diffusion, clustering to form intragranular bubbles, and re-solution within grains are included using spatially resolved cluster dynamics in the Xolotl code. GB migration and intergranular bubble growth and coalescence are included using the phase field method in the MARMOT code. This hybrid model couples Xolotl to MARMOT using the MultiApp and Transfer systems in the MOOSE framework, with Xolotl passing the arrival rate of gas atoms at GBs and intergranular bubble surfaces to MARMOT and MARMOT passing evolved GBs and bubble surface positions to Xolotl. The coupled approach performs well on the two-dimensional simulations performed in this work, producing similar results to the standard phase field model when Xolotl does not include fission gas clustering or re-solution. The hybrid model performs well computationally, with a negligible cost of coupling Xolotl and MARMOT and good parallel scalability. The hybrid model predicts that intragranular fission gas clustering and bubble formation results in up to 70% of the fission gas being trapped within grains, causing the increase in the intergranular bubble fraction to slow by a factor of six. Re-solution has a small impact on the fission gas behavior at 1800 K but it has a much larger impact at 1000 K, resulting in a twenty-times increase in the concentration of single gas atoms within grains. Due to the low diffusion rate, this increase in mobile gas atoms only results in a small acceleration in the growth of the intergranular bubble fraction. Finally, the hybrid model accounts for migrating GBs sweeping up gas atoms. This results in faster intergranular bubble growth with smaller initial grain sizes, since the additional GB migration results in more immobile gas clusters reaching GBs.

Kim, Dong-Uk↗

A formally verified algorithm for interactive consistency under a hybrid fault model

Consistent distribution of single-source data to replicated computing channels is a fundamental problem in fault-tolerant system design. The 'Oral Messages' (OM) algorithm solves this problem of Interactive Consistency (Byzantine Agreement) assuming that all faults are worst-cass. Thambidurai and Park introduced a 'hybrid' fault model that distinguished three fault modes: asymmetric (Byzantine), symmetric, and benign; they also exhibited, along with an informal 'proof of correctness', a modified version of OM. Unfortunately, their algorithm is flawed. The discipline of mechanically checked formal verification eventually enabled us to develop a correct algorithm for Interactive Consistency under the hybrid fault model. This algorithm withstands $a$ asymmetric, $s$ symmetric, and $b$ benign faults simultaneously, using $m+1$ rounds, provided $n is greater than 2a + 2s + b + m$, and $m\geg a$. We present this algorithm, discuss its subtle points, and describe its formal specification and verification in PVS. We argue that formal verification systems such as PVS are now sufficiently effective that their application to fault-tolerance algorithms should be considered routine.

Lincoln, Patrick↗

Development of a Solid-Oxide Fuel Cell/Gas Turbine Hybrid System Model for Aerospace Applications

Recent interest in fuel cell-gas turbine hybrid applications for the aerospace industry has led to the need for accurate computer simulation models to aid in system design and performance evaluation. To meet this requirement, solid oxide fuel cell (SOFC) and fuel processor models have been developed and incorporated into the Numerical Propulsion Systems Simulation (NPSS) software package. The SOFC and reformer models solve systems of equations governing steady-state performance using common theoretical and semi-empirical terms. An example hybrid configuration is presented that demonstrates the new capability as well as the interaction with pre-existing gas turbine and heat exchanger models. Finally, a comparison of calculated SOFC performance with experimental data is presented to demonstrate model validity. Keywords: Solid Oxide Fuel Cell, Reformer, System Model, Aerospace, Hybrid System, NPSS

Freeh, Joshua E.↗

Hybrid CFD/CAA Modeling for Liftoff Acoustic Predictions

This paper presents development efforts at the NASA Marshall Space flight Center to establish a hybrid Computational Fluid Dynamics and Computational Aero-Acoustics (CFD/CAA) simulation system for launch vehicle liftoff acoustics environment analysis. Acoustic prediction engineering tools based on empirical jet acoustic strength and directivity models or scaled historical measurements are of limited value in efforts to proactively design and optimize launch vehicles and launch facility configurations for liftoff acoustics. CFD based modeling approaches are now able to capture the important details of vehicle specific plume flow environment, identifY the noise generation sources, and allow assessment of the influence of launch pad geometric details and sound mitigation measures such as water injection. However, CFD methodologies are numerically too dissipative to accurately capture the propagation of the acoustic waves in the large CFD models. The hybrid CFD/CAA approach combines the high-fidelity CFD analysis capable of identifYing the acoustic sources with a fast and efficient Boundary Element Method (BEM) that accurately propagates the acoustic field from the source locations. The BEM approach was chosen for its ability to properly account for reflections and scattering of acoustic waves from launch pad structures. The paper will present an overview of the technology components of the CFD/CAA framework and discuss plans for demonstration and validation against test data.

Strutzenberg, Louise L.↗

Comparative study of adaptive variational quantum eigensolvers for multi-orbital impurity models

Hybrid quantum-classical embedding methods for correlated materials simulations provide a path towards potential quantum advantage. However, the required quantum resources arising from the multi-band nature of d and f electron materials remain largely unexplored. Here we compare the performance of different variational quantum eigensolvers in ground state preparation for interacting multi-orbital embedding impurity models, which is the computationally most demanding step in quantum embedding theories. Focusing on adaptive algorithms and models with 8 spin-orbitals, we show that state preparation with fidelities better than 99.9% can be achieved using about 2 14 shots per measurement circuit. When including gate noise, we observe that parameter optimizations can still be performed if the two-qubit gate error lies below 10 -3 , which is slightly smaller than current hardware levels. Finally, we measure the ground state energy on IBM and Quantinuum hardware using a converged adaptive ansatz and obtain a relative error of 0.7%.

42 ENGINEERING↗

A comparison of regional isentropic-sigma and sigma model simulations of the January 1979 Chicago blizzard

In an initial effort in regional numerical weather prediction, results from the University of Wisconsin isentropic-sigma (UW theta-sigma) hybrid model and an 'identical' sigma model are compared. The two main objectives are to demonstrate the capability of the UW theta-sigma model for regional numerical weather prediction and to identify advantages of the hybrid model in simulating atmospheric water vapor transport and precipitation relative to the sigma model. The 72-h simulations produced by the two models extend over a region covering the western Pacific Ocean, North America, and the western Atlantic Ocean. The simulations begin at 0000 UTC 13 January 1979, a period during which an intense Chicago blizzard develops over the central United States. This period also includes the rapid development of a cyclone in the western Pacific Ocean. Results using the Global Weather Experiment (GWE) ECMWF level IIIB data as initial and verification data indicate that both models produce reasonable and similar 72-h simulations, with the UW theta-sigma model mass and momentum distributions being slightly more accurate than the sigma model. Of particular importance for the Chicago blizzard is that the UW theta-sigma model more accurately simulates water vapor transport northward from the Gulf of Mexico and westward from the Atlantic Ocean. As a result, the hybrid model more accurately simulates observed precipitation, especially over the northeastern U.S. and southeastern Canada.

Zapotocny, Tom H.↗

Influence of Triply-Charged Ions and Ionization Cross-Sections in a Hybrid-PIC Model of a Hall Thruster Discharge

The sensitivity of xenon ionization rates to collision cross-sections is studied within the framework of a hybrid-PIC model of a Hall thruster discharge. A revised curve fit based on the Drawin form is proposed and is shown to better reproduce the measured crosssections at high electron energies, with differences in the integrated rate coefficients being on the order of 10% for electron temperatures between 20 eV and 30 eV. The revised fit is implemented into HPHall and the updated model is used to simulate NASA's HiVHAc EDU2 Hall thruster at discharge voltages of 300, 400, and 500 V. For all three operating points, the revised cross-sections result in an increase in the predicted thrust and anode efficiency, reducing the error relative to experimental performance measurements. Electron temperature and ionization reaction rates are shown to follow the trends expected based on the integrated rate coefficients. The effects of triply-charged xenon are also assessed. The predicted thruster performance is found to have little or no dependence on the presence of triply-charged ions. The fraction of ion current carried by triply-charged ions is found to be on the order of 1% and increases slightly with increasing discharge voltage. The reaction rates for the 0→III, I→III, and II→III ionization reactions are found to be of similar order of magnitude and are about one order of magnitude smaller than the rate of 0→II ionization in the discharge channel.

Hall Thrusters↗

Identifying the nature of the QCD transition in heavy-ion collisions with deep learning

In this proceeding, we review our recent work using deep convolutional neural network (CNN) to identify the nature of the QCD transition in a hybrid modeling of heavy-ion collisions. Within this hybrid model, a viscous hydrodynamic model is coupled with a hadronic cascade “after-burner”. As a binary classification setup, we employ two different types of equations of state (EoS) of the hot medium in the hydrodynamic evolution. The resulting final-state pion spectra in the transverse momentum and azimuthal angle plane are fed to the neural network as the input data in order to distinguish different EoS. To probe the effects of the fluctuations in the event-by-event spectra, we explore different scenarios for the input data and make a comparison in a systematic way. We observe a clear hierarchy in the predictive power when the network is fed with the event-by-event, cascade-coarse-grained and event-fine-averaged spectra. The carefully-trained neural network can extract high-level features from pion spectra to identify the nature of the QCD transition in a realistic simulation scenario.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Model-Invariant Hybrid Computations of Separated Flows for RCA Standard Test Cases

NASA's Revolutionary Computational Aerosciences (RCA) subproject has identified several smooth-body separated flows as standard test cases to emphasize the challenge these flows present for computational methods and their importance to the aerospace community. Results of computations of two of these test cases, the NASA hump and the FAITH experiment, are presented. The computations were performed with the model-invariant hybrid LES-RANS formulation, implemented in the NASA code VULCAN-CFD. The model- invariant formulation employs gradual LES-RANS transitions and compensation for model variation to provide more accurate and efficient hybrid computations. Comparisons revealed that the LES-RANS transitions employed in these computations were sufficiently gradual that the compensating terms were unnecessary. Agreement with experiment was achieved only after reducing the turbulent viscosity to mitigate the effect of numerical dissipation. The stream-wise evolution of peak Reynolds shear stress was employed as a measure of turbulence dynamics in separated flows useful for evaluating computations.

Woodruff, Stephen↗

Model-Invariant Hybrid RANS-LES Computations on Unstructured Meshes

Hybrid RANS-LES computations combine the bene ts of RANS and LES so that LES is used in regions where the accuracy of RANS deteriorates. The numerous hybrid approaches are limited by the speci cation of the LES-RANS interface, which can cause nonphysical results such as log-layer mismatch and low shear stress. The hybrid RANS-LES approach based on the concept of model invariance, mitigates these problems, enabling seamless blending of the RANS and LES regions while forming the basis for interpreting the results in the interface region. This hybrid formulation was implemented in the NASA FUN3D unstructured code and computations for ow in a channel at Reynolds number of 3300 (based on the channel half width h and the bulk in ow velocity u(infinity) were carried out. An isotropic stochastic turbulence generator was implemented to generate in ow turbulence. The present approach was able to eliminate the log-layer mismatch and predict the shear stress fairly well. Thus, the model-invariant hybrid formulation coupled with the isotropic turbulence in ow generation serves as a physically meaningful way of performing hybrid RANS-LES computations.

Sreekanth, R.↗

Hybrid Star Models in the Light of New Multimessenger Data

Abstract Recent astrophysical mass inferences of compact stars HESS J1731-347 and PSR J0952-0607, with extremely small and large masses respectively, as well as the measurement of the neutron skin of Ca in the CREX experiment challenge and constrain the models of dense matter. We examine the concept of hybrid stars—objects containing quark cores surrounded by nucleonic envelopes—as models that account for these new data along with other inferences. We employ a family of 81 nucleonic equations of state (EOSs) with variable skewness and slope of symmetry energy at saturation density and a constant speed-of-sound EOS for quark matter. For each nucleonic EOS, a family of hybrid EOSs is generated by varying the transition density, the energy jump, and the speed of sound. These models are tested against the data from GW170817 and J1731-347, which favor low-density soft EOS and J0592-0607 and J0740+6620, which require high-density stiff EOS. The addition of J0592-0607's mass measurement to the constraints has no significant impact on the parameter space of the admissible EOS, but allows us to explore the potential effect of pulsars more massive than J0740+6620, if such exists. We then examine the occurrence of twin configurations and quantify the ranges of masses and radii that they can possess. It is shown that including J1731-347 data favors EOSs that predict low-mass twins with M ≲ 1.3 M ⊙ that can be realized if the deconfinement transition density is low. If combined with large speed of sound in quark matter such models allow for maximum masses of hybrid stars in 2.0–2.6 M ⊙ .

Astronomy & Astrophysics↗