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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Novel Phases and Dynamics of Multi-orbital Mott Insulators

The goal of this project is to gain theoretical insight into magnetism in the presence of spin-orbit coupling (SOC) for multi-orbital Mott insulators. Inspired by the exact solution of the Kitaev model that harbors a quantum spin liquid with novel excitations and struck by its relevance for materials with anisotropic orbital interactions, the PI will explore various new classes of 4d and 5d transition metal oxides. Starting with all electron Hamiltonians, the PI will derive minimal magnetic models. The aim will be to understand the role played by orbital frustration, even in the absence of any geometric frustration, in creating orbitally ordered as well as spin-orbital liquid phases. Orbital frustration arises primarily from the directional or anisotropic nature of d-orbitals in contrast to the isotropic nature of the spin degree of freedom. These models will be investigated by a variety of theoretical and numerical methods, including exact diagonalization, mean field theories, density matrix renormalization group and quantum Monte Carlo methods. Testable predictions for three experiments: nuclear magnetic resonance (NMR) and resonant x-ray scattering (RXS) to probe orbital ordering and pump-probe experiments to probe quantum dynamics will test the validity of these models for materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

A non‐intrusive domain‐decomposition model reduction method for linear steady‐state partial differential equations with random coefficients

Abstract Domain decomposition methods have been proved to be an effective strategy to reduce the dimension of parametric partial differential equations (PDEs). However, existing domain decomposition methods for parametric PDEs are usually intrusive, which means domain decomposition based solvers need to be implemented from scratch for each target parametric PDE. To address this issue, we develop a new non‐intrusive domain‐decomposition model reduction method for linear steady‐state PDEs with random‐field coefficients. As a variant of our previous work by Mu and Zhang, the new method only needs access to the final linear system, that is, the global stiffness matrix and the right hand side, of a deterministic PDE solver, in order to build a domain‐decomposition‐based reduced model without intrusive implementation from scratch. The key idea is to remove the interface condition between sub‐domains and rely on the correlation between columns of the linear system to couple the sub‐domains. The non‐intrusive feature enables the applicability of the proposed method to a broader class of uncertainty quantification problems, where many legacy codes/solvers can be fully reused by our method. Two numerical examples including diffusion equations with random diffusivity and convection‐dominated transport with random velocity, are provided to demonstrate the effectiveness and efficiency of our method.

Zhang, Guannan↗
DOE OSTI2022

An IIPG-based finite element framework in MOOSE for modeling fiber reinforced composite failure governed by extrinsic cohesive laws

Fiber reinforced composites (FRC) are widely applied to many important engineering structures such as silicon carbide ceramic matrix composite (SiC CMC) of nuclear fuel claddings. Many material and structure failures are initiated at the interface between two distinctive materials, such as the debonding of interfaces of matrix/fiber of composites or bulk matrix/inclusion in metals at micro-scales. Accurate and robust modeling of these interface failures is critical to the development of novel material and structure with improved functionality. This paper presents a discontinuous Galerkin (DG) finite element method based on the Incomplete Interior Penalty scheme and its implementation in MOOSE for modeling material interface behaviors. The proposed method naturally accommodates important extrinsic cohesive zone material models and is capable of modeling the failures of material interfaces across which material properties are highly distinctive. We demonstrate a good performance of the proposed method using single fiber and multiple fiber debonding problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Quantum block encoding for one-pair semiseparable matrices

Quantum block encoding (QBE) is a crucial step in the development of most quantum algorithms, as it provides an embedding of a given matrix into a suitable larger unitary matrix. Historically, the development of efficient techniques for QBE has mostly focused on sparse matrices; less effort has been devoted to data-sparse (e.g., rank-structured) matrices. In this work we examine a particular case of rank structure, namely, one-pair semiseparable matrices. We present a new block encoding approach that relies on a suitable factorization of the given matrix as the product of triangular and diagonal factors. To encode the matrix, the algorithm needs $2\log(N)+7$ ancillary qubits. Assuming that the data input oracles can be implemented with polylogarithmic depth, or that a QRAM input model is available, our proposed method requires $\mathcal{O}({\rm polylog} (N))$ time and has an error of $\mathcal{O}(N^2)$, where $N$ is the matrix size.

Antonioli, Giacomo [Pisa U.; CERN] (ORCID:00090000↗
DOE OSTI2026

Reliable statistics-based detection and investigation of anomalies in a SMART valve system

Reliable anomaly detection and diagnosis are critical for the safe operation of complex engineered systems. This study presents a unified framework that integrates statistical, model-based, and data-driven techniques for anomaly detection and investigation, demonstrated on SMART valve systems in hybrid energy applications. Four detection methods—mean deviation, seasonal extreme studentized deviate, ARIMA forecasting, and matrix profiling—were implemented and compared. Matrix profiling was particularly effective in revealing subtle deviations and hidden relationships among variables. Anomaly investigation was performed by analyzing variable-level and grouped signal profiles, with system topology incorporated to distinguish primary faults from propagated effects. Grouping signals by type enhanced interpretability, enabling accurate localization of anomalies across multi-dimensional datasets. Experimental results confirmed the framework's capability to consistently detect and isolate anomalies while providing actionable insights into system interdependencies. The proposed methodology offers a robust, interpretable, and scalable solution for condition monitoring, with potential applications in safety-critical domains such as nuclear energy, aerospace, and process industries.

ARIMA models↗
DOE OSTI2023

An SU(5) × U(1)' SUSY GUT with a “vector-like chiral” fourth family to fit all low energy data, including the muon g – 2

An additional generation of quarks and leptons and their SUSY counterparts, which are vector-like under the Standard Model gauge group but are chiral with respect to the new U(1) 3–4 gauge symmetry, are added to the Minimal Supersymmetric Standard Model (MSSM). We show that this model is a GUT and unifies the three SM gauge couplings and also the additional U(1) 3–4 coupling at a GUT scale of ≈ 5 × 10 16 GeV and explains the experimentally observed deviation of the muon g – 2. We also fit the quark flavor changing processes consistent with the latest experimental data and look at the effect of the new particles on the W boson mass without obviously conflicting with the observed masses of particles, CKM matrix elements, neutrino mixing angles, their mass differences, and the lepton-flavor violating bounds. This model predicts sparticle masses less than 25 TeV, with a gluino mass ≈ 2.3 – 3 TeV consistent with constraints, and one of the neutralinos as the LSP with a mass of ≈ 480 – 580 GeV, which is a potential dark matter candidate. The model is string theory motivated and predicts the VL quarks, leptons, a massive Z' and two Dirac neutrinos at the TeV scale and the branching ratios of μ → eγ, τ → μγ and τ → 3μ with BR(μ → eγ) within reach of future experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Multi-modal Approach to Modeling Creep Deformation in Nickel-base Superalloy

This study developed the multi-modal modeling approaches to elucidate the physical and overall mechanical properties of two complex alloy systems of Ni-based Superalloys, namely Haynes 282 and Inconel 740. The overall strategies employed systematically in different scales of modeling are based on the common structural framework of the multi phases that made up the Ni-based Superalloys, namely the matrix phase of the Gamma ($\gamma$) phase which is embedded with ordered Gamma prime ($\gamma$’) precipitates and decorated with the dispersions of mostly carbide precipitates. With this in mind, we had set up the modeling platforms to incorporate a wide range of scales, starting from electronic structures to the continuum level via the crystal plasticity model.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Effective one-band models for the one-dimensional cuprate Ba 2-x Sr x CuO 3+δ

In this work, we consider a multiband Hubbard model H m for Cu and O orbitals in Ba 2-x Sr x CuO 3+δ similar to the three-band model for two-dimensional cuprates. The hopping parameters are obtained from maximally localized Wannier functions derived from ab initio calculations. Using the cell perturbation method, we derive both a generalized t–J model H tJ and a one-band Hubbard model H H to describe the low-energy physics of the system. H tJ has the advantage of having a smaller relevant Hilbert space, facilitating numerical calculations, while additional terms should be included in H H to accurately describe the multiband physics of H m . Using H tJ and the density matrix renormalization group method, we calculate the wave-vector-resolved photoemission and discuss the relevant features in comparison with recent experiments. In agreement with previous calculations, we find that the addition of an attractive nearest-neighbor interaction of the order of the nearest-neighbor hopping shifts the weight from the 3k F to the holon-folding branch. Kinetic effects also contribute to this process.

1-dimensional systems↗
DOE OSTI2026

Hybrid Symbolic-Numerical Modeling and Parametric Stability Analysis of DC–AC Power Systems

Hybrid DC-AC power systems integrating diverse inverter-based resources (IBRs) and multi-terminal high-voltage direct current (MTDC) networks represent a promising architecture for future power grids, while introducing challenges for modeling, stability analysis, and control design. This paper develops a hybrid symbolic-numerical modeling framework and tool to characterize the parametric small-signal stability of DC-AC coupled power systems. The proposed approach constructs parametric state-space models to enable efficient representation of system dynamics under varying control parameters and network configurations, with target parameters retained as symbolic variables and the remainder treated numerically. The stability analysis framework covers eigenvalue, sensitivity, and stability boundary and region characterization. Enhanced linear matrix inequality (LMI) techniques are proposed to directly certify small-signal stability over regions of parameter space while also reducing the conservativeness and computational burden. The resulting tools and frameworks enable rapid parametric model construction across diverse grid conditions, thereby facilitating stability-informed control and operation in complex DC–AC power systems.

DC–AC power systems↗
DOE OSTI2022

Towards precise and accurate calculations of neutrinoless double-beta decay

We present the results of a National Science Foundation Project Scoping Workshop, the purpose of which was to assess the current status of calculations for the nuclear matrix elements governing neutrinoless double-beta decay and determine if more work on them is required. After reviewing important recent progress in the application of effective field theory, lattice quantum chromodynamics, and ab initio nuclear-structure theory to double-beta decay, we discuss the state of the art in nuclear-physics uncertainty quantification and then construct a roadmap for work in all these areas to fully complement the increasingly sensitive experiments in operation and under development. The roadmap includes specific projects in theoretical and computational physics as well as the use of Bayesian methods to quantify both intra- and inter-model uncertainties. Here, the goal of this ambitious program is a set of accurate and precise matrix elements, in all nuclei of interest to experimentalists, delivered together with carefully assessed uncertainties. Such calculations will allow crisp conclusions from the observation or non-observation of neutrinoless double-beta decay, no matter what new physics is at play.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Neutrinoless double-β decay: Combining quantum Monte Carlo and the nuclear shell model with the generalized contact formalism

Neutrinoless double beta decay searches can determine the Majorana nature of neutrinos, the absolute neutrino mass, and provide invaluable insights on the matter dominance of the universe. However, the uncertainty in the nuclear matrix elements that govern the decay limits the physics reach of these experiments. Here, we devise a novel framework based on the generalized contact formalism that combines the nuclear shell model and quantum Monte Carlo methods and compute the neutrinoless double-beta decay of nuclei used in the most advanced experiments, including 76 Ge, 130 Te, and 136 Xe. Our results cover all relevant terms, including the leading-order short-range operator recognized recently. We validate our method in light nuclei by comparing against accurate variational Monte Carlo results. On heavy systems we obtain reduced nuclear matrix elements compared with previous calculations due to additional correlations captured by quantum Monte Carlo and introduced within the generalized contact formalism, suggesting longer decay half-lives than previously considered. On the other hand, we find an enhancement of the nuclear matrix elements due to the new short-range operator.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Particle-Hole Asymmetric Ferromagnetism and Spin Textures in the Triangular Hubbard-Hofstadter Model

In a lattice model subject to a perpendicular magnetic field, when the lattice constant is comparable to the magnetic length, one enters the “Hofstadter regime,” where continuum Landau levels become fractal magnetic Bloch bands. Strong mixing between bands alters the nature of the resulting quantum phases compared to the continuum limit; lattice potential, magnetic field, and Coulomb interaction must be treated on equal footing. Using determinant quantum Monte Carlo and density matrix renormalization group techniques, we study this regime numerically in the context of the Hubbard-Hofstadter model on a triangular lattice. In the field-filling phase diagram, we find a broad wedge-shaped region of ferromagnetic ground states for filling factor ν ≤ 1 , bounded below by filling factor ν = 1 and bounded above by half filling the lowest Hofstadter subband. We observe signatures of SU(2) quantum Hall ferromagnetism at filling factors ν = 1 and ν = 3 . The phases near ν = 1 are particle-hole asymmetric, and we observe a rapid decrease in ground-state spin polarization consistent with the formation of skyrmions only on the electron doped side. At large fields, above the ferromagnetic wedge, we observe a low-spin metallic region with spin correlations peaked at small momenta. We argue that the phenomenology of this region likely results from exchange interaction mixing fractal Hofstadter subbands. The phase diagram derived beyond the continuum limit points to a rich landscape to explore interaction effects in magnetic Bloch bands. Published by the American Physical Society 2024

Ding, Jixun K.↗
DOE OSTI2024

BENEFIT with Northeastern University: HVAC Hardware-in-the-Loop Experimental Testing of a Heat Pump and Air Conditioner

This dataset includes HVAC Hardware-in-the-Loop (HIL) experimental results for a single stage, SEER 16, HSPF 9.5, 3-ton single-speed air source heat pump with 15 kW of backup auxiliary heating tested in both cooling and heating mode, and a two stage, SEER 21, 2-ton central air conditioner tested in cooling mode for a set of outdoor temperatures and indoor setpoint temperatures. In addition to these tests, experimental tests focused on the operation of auxiliary heating for the heat pump for winter condition were also conducted. The laboratory experiments for transient testing of the heat pump and air conditioner were conducted using the two HIL systems in the Systems Performance Laboratory (SPL) at NREL’s Energy Systems Integration Facility (ESIF). Further information on laboratory design and capabilities of the SPL along with the architecture of HVAC HIL system can be found in: Sparn, B. F. 2018. Laboratory Resources and Techniques to Evaluate Smart Home Technology (No. NREL/CP-5500-71696). National Renewable Energy Laboratory (NREL), Golden, CO (United States). https://www.nrel.gov/docs/fy18osti/71696.pdf and the experimental setup and validation of HVAC HIL platform can be found in: Ramaraj, S. and Sparn, B. 2022. Validation of HVAC Hardware-In-the-Loop Simulation for Advanced Control Strategies in Smart Homes (No. NREL/CP-5500-82562). National Renewable Energy Lab (NREL), Golden, CO (United States). https://www.nrel.gov/docs/fy22osti/82562.pdf. These experimental results can be used to validate how we currently model the cycling behavior of heat pumps and air conditioners. Additionally, many demand response programs implement heat pump and air conditioner control by changing the thermostat set point – these data may also be used to verify our models for heat pump and air conditioner demand response control are implemented correctly. The Test_Matrix file describes all the indoor and outdoor test conditions for heat pump and air conditioner and the file names of data sets include information about the test conditions. A wide range of outdoor air temperatures were chosen to accommodate summer and winter conditions. In addition to operating the HVAC equipment with different outdoor temperatures, we also operate the system with different indoor temperature set points to represent different grid signals or different operating conditions. For cooling conditions, the baseline set point is 72°F. To represent Load Up signals, the setpoint is changed to 68°F. The Load Shed set point is 76°F. For heating conditions, the baseline set point was assumed to be 68°F. The Load add set point is 72°F and the Load shed set point is 64°F. The starting indoor temperature for cooling conditions was set ~2°F above the indoor setpoint temperature so that the equipment turned on quickly. Similarly, the initial indoor temperature was set ~2°F lower than setpoint for heating mode tests to ensure that heating began quickly. The return air temperature was assumed to be equal to the indoor setpoint temperature in all cases. The experimental data are sampled at 1-second intervals. The data from ecobee thermostat at 5-minute interval are resampled and added to the corresponding file. The content of each data set is as follows: • T_Return (C): Measured return air temperature [C] • T_Return_SP (C): Return air temperature setpoint from E+ model, sent to HIL [C] • T_Supply (C): Measured supply air temperature at evaporator outlet [C] • T_Outdoor (C): Measured outdoor air temperature [C] • T_Outdoor_SP (C): Outdoor air temperature setpoint from weather file, sent to HIL [C] • T_Indoor (C): Measured indoor air temperature [C] • T_Indoor_SP (C): Indoor air temperature setpoint from E+ model, sent to HIL [C] • Outdoor Unit Power (W): Measured power of the outdoor unit [W] • Indoor Unit Power (W): Measured power of the indoor unit [W] • Evaporator Airflow Rate (CFM): Measured evaporator or indoor unit airflow rate sent to E+ model [CFM] • Cooling/Heating Capacity (kW): Calculated cooling/heating capacity sent to E+ model [kW] • T_SP_Thermostat (C): Thermostat cooling/heating setpoint temperature [C] • T_Indoor_Thermostat (C): Thermostat indoor air temperature [C]

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Paradigm for approaching the forbidden spontaneous phase transition in the one-dimensional Ising model at a fixed finite temperature

The Ising model describes collective behaviors such as phase transitions and critical phenomena in various physical, biological, economical, and social systems. It is well known that spontaneous phase transition at finite temperature does not exist in the Ising model with short-range interactions in one dimension. Yet, little is known about whether this forbidden phase transition can be approached arbitrarily closely—at fixed finite temperature. Here I use symmetry analysis of the transfer matrix to reveal the existence of spontaneous ultranarrow phase crossover (UNPC) at finite temperature in one class of one-dimensional Ising models on decorated two-leg ladders, in which the crossover temperature T 0 is determined solely by on-rung interactions and decorations, while the crossover width 2 δ T is independently, exponentially reduced ( δ T = 0 means a genuine phase transition) by on-leg interactions and decorations. These findings establish a simple ideal paradigm for realizing an infinite number of one-dimensional Ising systems with spontaneous UNPC at desirable T 0 , which would be characterized in routine laboratory measurements as a genuine first-order phase transition with large latent heat thanks to the ultranarrow δ T (say less than one nanokelvin), paving a way to push the limit in our understanding of phase transitions and the dynamical actions of frustration arbitrarily close to the forbidden regime. Published by the American Physical Society 2024

1-dimensional systems↗
DOE OSTI2025

Flavor patterns of fundamental particles from quantum entanglement?

The Cabibbo-Kobayashi-Maskawa (CKM) matrix, which controls flavor mixing between the three generations of quark fermions, is a key input to the standard model of particle physics. In this paper, we identify a surprising connection between quantum entanglement and the degree of quark mixing. Focusing on a specific limit of 2 → 2 quark scattering mediated by electroweak bosons, we find that the quantum entanglement generated by scattering is minimized when the CKM matrix is almost (but not exactly) diagonal, in qualitative agreement with observation. With the discovery of neutrino masses and mixings, additional angles are needed to parametrize the Pontecorvo-Maki-Nakagawa-Sakata (PMNS) matrix in the lepton sector. Applying the same logic, we find that quantum entanglement is minimized when the PMNS matrix features two large angles and a smaller one, again in qualitative agreement with observation, plus a hint for suppressed C P violation. We speculate on the (unlikely but tantalizing) possibility that minimization of quantum entanglement might be a fundamental principle that determines particle physics input parameters. Published by the American Physical Society 2025

Thaler, Jesse (ORCID:0000000224068160)↗
DOE OSTI2026

Non -degenerate marginal-likelihood calibration with application to quantum characterization

Here, we propose a marginal likelihood strategy within the Kennedy-O’Hagan (KOH) Bayesian framework, where a Gaussian process (GP) models the discrepancy between a physical system and its simulator. Our approach introduces a novel marginalized likelihood by integrating out the degenerate eigenspace of the covariance matrix, rather than approximating the original likelihood. Unlike approximation methods that compromise accuracy for computational efficiency, our method defines an exact likelihood—distinct from the original but preserving all relevant information. This formulation achieves computational efficiency and stability, even for large datasets where the covariance matrix nears degeneracy. Applied to the characterization of a superconducting quantum device at Lawrence Livermore National Laboratory, the approach enhances the predictive accuracy of the Lindblad master equations for modeling Ramsey measurement data by effectively quantifying uncertainties consistent with the quantum data.

general physics↗
DOE OSTI2023

A flexible gyro-fluid system of equations

Gyro-fluid equations are velocity space moments of the gyrokinetic equations. Special gyro-Landau-fluid closures have been developed that include the damping due to kinetic resonances by fitting to the collisionless local plasma response functions. This damping allows for accurate linear eigenmodes to be computed with a relatively low number of velocity space moments compared to the number of velocity quadrature points in gyrokinetic codes. However, none of the published gyro-Landau-fluid closure schemes considers the Onsager symmetries of the resulting quasi-linear fluxes as a constraint. Onsager symmetry guarantees that the matrix of diffusivities is positive definite, an important property for the numerical stability of a transport solver. A two-parameter real closure for improving the accuracy of low-resolution gyro-fluid equations, which preserves the Onsager symmetry and allows higher velocity space moments, is presented in this paper. The new linear gyro-fluid system (GFS) is used to extend the TGLF quasi-linear transport model so that it can compute the energy and momentum fluxes due to parallel magnetic fluctuations, completing the transport matrix. The GFS equations do not use a bounce average approximation. The GFS equations are fully electromagnetic with general flux surface magnetic geometry, pitch angle scattering for electron collisions, and subsonic equilibrium toroidal rotation. Using GFS eigenmodes in the quasi-linear TGLF model will be shown to yield a more accurate match to fluxes computed by CGYRO turbulence simulations. In conclusion, prospects for future applications of a quasi-linear theory to new plasma transport regimes and magnetic confinement devices in addition to tokamaks are opened by the flexibility of the GFS eigensolver.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Estimating Sparse Direct Effects in Multivariate Regression With the Spike-and-Slab LASSO

The multivariate regression interpretation of the Gaussian chain graph model simultaneously parametrizes (i) the direct effects of p predictors on q outcomes and (ii) the residual partial covariances between pairs of outcomes. We introduce a new method for fitting sparse versions of these models with spike-and-slab LASSO (SSL) priors. We develop an Expectation Conditional Maximization algorithm to obtain sparse estimates of the p × q matrix of direct effects and the q × q residual precision matrix. Our algorithm iteratively solves a sequence of penalized maximum likelihood problems with self-adaptive penalties that gradually filter out negligible regression coefficients and partial covariances. Because it adaptively penalizes individual model parameters, our method is seen to outperform fixed-penalty competitors on simulated data. We establish the posterior contraction rate for our model, buttressing our method’s excellent empirical performance with strong theoretical guarantees. Using our method, we estimated the direct effects of diet and residence type on the composition of the gut microbiome of elderly adults.

EM algorithm↗