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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 181 records · Page 10

Securing Grid-interactive Efficient Buildings (GEB) through Cyber Defense and Resilient System (CYDRES)

The DOE CYDRES project is driven by the urgent need to address critical research gaps in the domain of cyber-physical security of smart buildings, including Grid-interactive Efficient Buildings (GEBs). CYDRES, a real-time advanced building resilient platform, aims to enhance the cyber-attack-immune capabilities of buildings through multi-layered prevention, detection, and adaptation mechanisms. CYDRES consists of five key modules: a multi-layer network analyzer, an Automatic Fault Detection, Diagnosis, and Prognosis (AFDDP) framework, an intelligent mode selector, a cyber-resilient control framework, and a situation awareness platform. The Network Analyzer employs a data-driven framework that includes a protocol state learning tool and a CRF (Conditional Random Field) command validator. In Hardware-In-the-Loop (HIL) testbeds, it achieved 100% detection accuracy with a false alarm rate of 3%, validating its efficacy in identifying selected cyber-attacks. The AFDDP framework leverages pattern matching, PCA (Principal Component Analysis)-based strategies, and a DBN (Dynamic Bayesian Network)-based fault diagnosis approach to pinpoint the causes of physical system abnormalities using Building Automation System (BAS) data. In HIL experiments, the AFDDP module attained a detection accuracy of over 95% with a false alarm rate below 7%. Additionally, the fault detector utilized machine learning (Random Forest) and deep learning (Multi-Layer Perceptron) methods with acoustic sensor data to achieve a 100% fault detection accuracy in Heating, Ventilation, and Air-Conditioning (HVAC) equipment. The Mode Selector offered real-time impact analysis, allowing immediate actions to protect BASs in the face of emerging threats. The cyber-resilient control framework included an adaptive Model Predictive Control (MPC) and a measurement compensator, reducing temperature violations by up to 94% and improving the total demand flexibility by up to 70% in HIL experiments. Such HIL experiments covered a cyber-attack case and a physical fault case, showcasing CYDRES’ efficiency in maintaining operational continuity during threats. The situation awareness platform in Grafana enhanced real-time threat detection and response visualization, augmenting the operational awareness for building operators. CYDRES demonstrated high technical effectiveness in various test scenarios, particularly in HIL environments. The project's phased development approach ensured efficient use of resources, highlighting its practical feasibility and readiness for commercialization. By enhancing the security and resilience of building operations, CYDRES represents a significant advance in mitigating risks associated with cyber-physical systems, thereby enhancing public confidence in the safety of modern building infrastructure. Future directions for the project include expanding testing protocols, refining AFDDP methodologies, exploring more comprehensive resilient control strategies, and testing in real commercial buildings.

42 ENGINEERING↗

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↗

A Galerkin method with two-dimensional Haar basis functions for the computation of the Karhunen–Loève expansion

We study the numerical approximation of a homogeneous Fredholm integral equation of second kind associated with the Karhunen–Loève expansion of Gaussian random fields. We develop, validate, and discuss an algorithm based on the Galerkin method with two-dimensional Haar wavelets as basis functions. The shape functions are constructed from the orthogonal decomposition of tensor-product spaces of one-dimensional Haar functions, and a recursive algorithm is employed to compute the matrix of the discrete eigenvalue system without the explicit calculation of integrals, allowing the implementation of a fast and efficient algorithm that provides considerable reduction in CPU time, when compared with classical Galerkin methods. Numerical experiments confirm the convergence rate of the method and assess the approximation error and the sparsity of the eigenvalue system when the wavelet expansion is truncated. We illustrate the numerical solution of a diffusion problem with random input data with the present method. In this problem, accuracy was retained after dropping the coefficients below a threshold value that was numerically determined. A similar method with scaling functions rather than wavelet functions does not need a discrete wavelet transform and leads to eigenvalue systems with better conditioning but lower sparsity.

97 MATHEMATICS AND COMPUTING↗

Numerical analysis of thermally assisted spin-transfer torque magnetization reversal in synthetic ferrimagnetic free layers

The spin transfer torque magnetization reversal of synthetic ferrimagnetic free layers under pulsed temperature rise was numerically studied by solving the Landau–Lifshitz–Gilbert equation, taking into account the stochastic random fields, the temperature dependence of magnetic parameters, and the spin torque terms. The anti-parallel magnetization configuration was retained at the elevated temperature, due to interlayer dipole coupling. A significant thermal assistance effect, resulting in a 40% reduction in the switching current, was demonstrated during a nanosecond pulsed temperature rise up to 77% of the Curie temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Theoretical analysis of non‐ G aussian heterogeneity effects on subsurface flow and transport

Abstract Much of the stochastic groundwater literature is devoted to the analysis of flow and transport in Gaussian or multi‐Gaussian log hydraulic conductivity (or transmissivity) fields, ( x being a position vector), characterized by one or (less frequently) a multiplicity of spatial correlation scales. Yet Y and many other variables and their (spatial or temporal) increments, Δ Y , are known to be generally non‐Gaussian. One common manifestation of non‐Gaussianity is that whereas frequency distributions of Y often exhibit mild peaks and light tails, those of increments are generally symmetric with peaks that grow sharper, and tails that become heavier, as separation scale or lag between pairs of Y values decreases. A statistical model that captures these disparate, scale‐dependent distributions of Y and in a unified and consistent manner has been recently proposed by us. This new “generalized sub‐Gaussian (GSG)” model has the form where is (generally, but not necessarily) a multiscale Gaussian random field and is a nonnegative subordinator independent of G . The purpose of this paper is to explore analytically, in an elementary manner, lead‐order effects that non‐Gaussian heterogeneity described by the GSG model have on the stochastic description of flow and transport. Recognizing that perturbation expansion of hydraulic conductivity diverges when Y is sub‐Gaussian, we render the expansion convergent by truncating Y 's domain of definition. We then demonstrate theoretically and illustrate by way of numerical examples that, as the domain of truncation expands, (a) the variance of truncated Y (denoted by Y t ) approaches that of Y and (b) the pdf (and thereby moments) of Y t increments approach those of Y increments and, as a consequence, the variogram of approaches that of . This in turn guarantees that perturbing to second order in (the standard deviation of Y t ) yields results which approach those we obtain upon perturbing to second order in even as the corresponding series diverges. Our analysis is rendered mathematically tractable by considering mean‐uniform steady state flow in an unbounded, two‐dimensional domain of mildly heterogeneous Y with a single‐scale function G having an isotropic exponential covariance. Results consist of expressions for (a) lead‐order autocovariance and cross‐covariance functions of hydraulic head, velocity, and advective particle displacement and (b) analogues of preasymptotic as well as asymptotic Fickian dispersion coefficients. We compare these theoretically and graphically with corresponding expressions developed in the literature for Gaussian Y . We find the former to differ from the latter by a factor k = ( denoting ensemble expectation) and the GSG covariance of longitudinal velocity to contain an additional nugget term depending on this same factor. In the limit as Y becomes Gaussian, k reduces to one and the nugget term drops out.

Riva, Monica↗

Simulating the large-scale structure of HI intensity maps

Intensity mapping of neutral hydrogen (HI) is a promising observational probe of cosmology and large-scale structure. We present wide field simulations of HI intensity maps based on N-body simulations of a 2.6 Gpc / h box with 2048{sup 3} particles (particle mass 1.6 × 10{sup 11} M{sub ⊙} / h). Using a conditional mass function to populate the simulated dark matter density field with halos below the mass resolution of the simulation (10{sup 8} M{sub ⊙} / h < M{sub halo} < 10{sup 13} M{sub ⊙} / h), we assign HI to those halos according to a phenomenological halo to HI mass relation. The simulations span a redshift range of 0.35 ∼< z ∼< 0.9 in redshift bins of width Δ z ≈ 0.05 and cover a quarter of the sky at an angular resolution of about 7'. We use the simulated intensity maps to study the impact of non-linear effects and redshift space distortions on the angular clustering of HI. Focusing on the autocorrelations of the maps, we apply and compare several estimators for the angular power spectrum and its covariance. We verify that these estimators agree with analytic predictions on large scales and study the validity of approximations based on Gaussian random fields, particularly in the context of the covariance. We discuss how our results and the simulated maps can be useful for planning and interpreting future HI intensity mapping surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Evolution of linear perturbations in Lemaítre-Tolman-Bondi void models

We study the evolution of linear perturbations in a Lemaítre-Tolman-Bondi (LTB) void model with realistic cosmological initial conditions. Linear perturbation theory in LTB models is substantially more complicated than in standard Friedmann universes as the inhomogeneous background causes gauge-invariant perturbations couple at first order. As shown by Clarkson et al. (2009) [1], the evolution is constrained by a system of linear partial differential equations which need to be integrated numerically. We present a new numerical scheme using finite element methods to solve this equation system and generate scalar initial conditions based on Gaussian random fields with an underlying power spectrum for the Bardeen potential. After spherical harmonic decomposition, the initial fluctuations are propagated in time and estimates of angular power spectra of each gauge invariant variable are computed as functions of redshift. This allows to analyse the coupling strength in a statistical way. We find significant couplings up to 25% for large and deep voids of Gpc scale as required to fit the distance redshift relations of SNe.

79 ASTRONOMY AND ASTROPHYSICS↗

Electronic structure of two-dimensional hexagonal diselenides: Charge density waves and pseudogap behavior

We theoretically study the electronic structure (spectral functions and Fermi surfaces) of incommensurate pseudogap and charge density wave (CDW) and commensurate CDW phases of quasi-two-dimensional diselenides 2H-TaSe{sub 2} and 2H-NbSe{sub 2}. The incommensurate pseudogap regime is described within the scenario based on short-range-order CDW fluctuations, considered within the static Gaussian random field model. In contrast, e.g., to high-T{sub c} cuprates, layered dichalcogenides have several different CDW scattering vectors and an electronic spectrum with two bands at the Fermi level. For this, we present a theoretical background for the description of multiple scattering processes within a multiple-band electronic spectrum. Theoretical spectral functions and Fermi surfaces thus obtained are compared with recent ARPES experimental data, demonstrating rather good qualitative agreement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Simulation study of entropy production in the one-dimensional Vlasov system

The coarse-grain averaged distribution function of the one-dimensional Vlasov system is obtained by numerical simulation. The entropy productions in cases of the random field, the linear Landau damping, and the bump-on-tail instability are computed with the coarse-grain averaged distribution function. The computed entropy production is converged with increasing length of coarse-grain average. When the distribution function differs slightly from a Maxwellian distribution, the converged value agrees with the result computed by using the definition of thermodynamic entropy. The length of the coarse-grain average to compute the coarse-grain averaged distribution function is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The virialization density of peaks with general density profiles under spherical collapse

We calculate the non-linear virialization density, Δ{sub c}, of halos under spherical collapse from peaks with an arbitrary initial and final density profile. This is in contrast to the standard calculation of Δ{sub c} which assumes top-hat profiles. Given our formalism, the non-linear halo density can be calculated once the shape of the initial peak's density profile and the shape of the virialized halo's profile are provided. We solve for Δ{sub c} for halos in an Einstein de-Sitter and a ΛCDM universe. As examples, we consider power-law initial profiles as well as spherically averaged peak profiles calculated from the statistics of a Gaussian random field. We find that, depending on the profiles used, Δ{sub c} is smaller by a factor of a few to as much as a factor of 10 as compared to the density given by the standard calculation ( ≈ 200). Using our results, we show that, for halo finding algorithms that identify halos through an over-density threshold, the halo mass function measured from cosmological simulations can be enhanced at all halo masses by a factor of a few. This difference could be important when using numerical simulations to assess the validity of analytic models of the halo mass function.

79 ASTRONOMY AND ASTROPHYSICS↗

Microscopic model for exchange bias from grain-boundary disorder in a ferromagnet/antiferromagnet thin film with a nanocrystalline microstructure

Monte Carlo spin simulations were coupled to a Voronoi microstructure-generator to predict the magnitude and behavior of exchange bias in a ferromagnet/antiferromagnet (AF) thin film bilayer with a nanocrystalline microstructure. Our model accounts for the effects of irregular grain-shapes, finite-sized particles, and the possible presence of local random-fields originating from the antiferromagnet's grain-boundary regions. As the grain-boundary represents a crystal-structure distortion, we model the local effect on the exchange constants in the Gaussian approximation which can cause regions resembling a spin glass confined to an unusual 2D topology. Although an ensemble of completely disconnected AF grains isolated by non-magnetic barriers provides a small exchange bias, the introduction of a spin-glass network at the boundaries causes a four-fold enhancement in the magnitude of the loop-shift. This implies the importance of local grain-boundary behavior in defect-engineered antiferromagnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Gapless spin-liquid state in the structurally disorder-free triangular antiferromagnet NaYbO 2

In this work, we present a candidate material, NaYbO 2 , that realizes the genuine spin-liquid state on the triangular lattice and benchmarks recent theoretical predictions on the relevant spin models. Synchrotron x-ray diffraction and neutron scattering exclude both structural disorder and crystal-electric-field randomness. Furthermore, our thermodynamic measurements, neutron diffraction, and muon spectroscopy coincidentally prove the absence of magnetic order and persistent spin dynamics down to at least 70 mK. Continuous magnetic excitations first observed by inelastic neutron scattering show a gapless feature and the low-energy spectral weight accumulating at the K point of the Brillouin zone, in agreement with theoretical predictions for the spin-liquid phase of triangular antiferromagnets. Such a gapless spin-liquid phase is further confirmed by our magnetic specific heat analysis that reveals a departure from simple power-law behavior. Our work demonstrates that NaYbO 2 practically gives direct experimental access to the spin-liquid physics of triangular antiferromagnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Bayesian inference on the sphere beyond statistical isotropy

We present a general method for Bayesian inference of the underlying covariance structure of random fields on a sphere. We employ the Bipolar Spherical Harmonic (BipoSH) representation of general covariance structure on the sphere. We illustrate the efficacy of the method as a principled approach to assess violation of statistical isotropy (SI) in the sky maps of Cosmic Microwave Background (CMB) fluctuations. SI violation in observed CMB maps arise due to known physical effects such as Doppler boost and weak lensing; yet unknown theoretical possibilities like cosmic topology and subtle violations of the cosmological principle, as well as, expected observational artefacts of scanning the sky with a non-circular beam, masking, foreground residuals, anisotropic noise, etc. We explicitly demonstrate the recovery of the input SI violation signals with their full statistics in simulated CMB maps. Our formalism easily adapts to exploring parametric physical models with non-SI covariance, as we illustrate for the inference of the parameters of a Doppler boosted sky map. Our approach promises to provide a robust quantitative evaluation of the evidence for SI violation related anomalies in the CMB sky by estimating the BipoSH spectra along with their complete posterior.

79 ASTRONOMY AND ASTROPHYSICS↗

Cosmological implications of the CMB large-scale structure

The Wilkinson Microwave Anisotropy Probe (WMAP) and Planck may have uncovered several anomalies in the full cosmic microwave background (CMB) sky that could indicate possible new physics driving the growth of density fluctuations in the early universe. These include an unusually low power at the largest scales and an apparent alignment of the quadrupole and octopole moments. In a ΛCDM model where the CMB is described by a Gaussian Random Field, the quadrupole and octopole moments should be statistically independent. The emergence of these low probability features may simply be due to posterior selections from many such possible effects, whose occurrence would therefore not be as unlikely as one might naively infer. If this is not the case, however, and if these features are not due to effects such as foreground contamination, their combined statistical significance would be equal to the product of their individual significances. In the absence of such extraneous factors, and ignoring the biasing due to posterior selection, the missing large-angle correlations would have a probability as low as ∼0.1% and the low-l multipole alignment would be unlikely at the ∼4.9% level; under the least favorable conditions, their simultaneous observation in the context of the standard model could then be likely at only the ∼0.005% level. In this paper, we explore the possibility that these features are indeed anomalous, and show that the corresponding probability of CMB multipole alignment in the R{sub h}=ct universe would then be ∼7–10%, depending on the number of large-scale Sachs–Wolfe induced fluctuations. Since the low power at the largest spatial scales is reproduced in this cosmology without the need to invoke cosmic variance, the overall likelihood of observing both of these features in the CMB is ⩾7%, much more likely than in ΛCDM, if the anomalies are real. The key physical ingredient responsible for this difference is the existence in the former of a maximum fluctuation size at the time of recombination, which is absent in the latter because of inflation.

79 ASTRONOMY AND ASTROPHYSICS↗

Image processing of multiphase images obtained via X-ray microtomography: A review

Easier access to X-ray microtomography (μCT) facilities has provided much new insight from high-resolution imaging for various problems in porous media research. Pore space analysis with respect to functional properties usually requires segmentation of the intensity data into different classes. Image segmentation is a nontrivial problem that may have a profound impact on all subsequent image analyses. This review deals with two issues that are neglected in most of the recent studies on image segmentation: (i) focus on multiclass segmentation and (ii) detailed descriptions as to why a specific method may fail together with strategies for preventing the failure by applying suitable image enhancement prior to segmentation. In this way, the presented algorithms become very robust and are less prone to operator bias. Three different test images are examined: a synthetic image with ground-truth information, a synchrotron image of precision beads with three different fluids residing in the pore space, and a μCT image of a soil sample containing macropores, rocks, organic matter, and the soil matrix. Image blur is identified as the major cause for poor segmentation results. Other impairments of the raw data like noise, ring artifacts, and intensity variation can be removed with current image enhancement methods. Bayesian Markov random field segmentation, watershed segmentation, and converging active contours are well suited for multiclass segmentation, yet with different success to correct for partial volume effects and conserve small image features simultaneously.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Estimating posterior quantity of interest expectations in a multilevel scalable framework

Scalable approaches for uncertainty quantification are necessary for characterizing prediction confidence in large-scale subsurface flow simulations with uncertain permeability. To this end we explore a multilevel Monte Carlo approach for estimating posterior moments of a particular quantity of interest, where we employ an element-agglomerated algebraic multigrid (AMG) technique to generate the hierarchy of coarse spaces with guaranteed approximation properties for both the generation of spatially correlated random fields and the forward simulation of Darcy's law to model subsurface flow. In both these components (sampling and forward solves), we exploit solvers that rely on state-of-the-art scalable AMG. To illustrate the applicability of this approach, numerical tests are performed on two 3D examples-a unit cube and an egg-shaped domain with an irregular boundary-where the scalability of each simulation as well as the scalability of the overall algorithm are demonstrated.

97 MATHEMATICS AND COMPUTING↗

Text Mining for Process–Structure–Properties Relationships in Metals

With the advent of large language models (LLMs), the vast unstructured text within millions of academic papers is increasingly accessible for materials discovery—although significant challenges remain. While LLMs offer promising few- and zero-shot learning capabilities, particularly valuable in the materials domain where expert annotations are scarce, general-purpose LLMs often fail to address key materials-specific queries without further adaptation. To bridge this gap, fine-tuning LLMs on human-labeled data is essential for effective structured knowledge extraction (Liu in The Importance of Human-Labeled Data in the Era of LLMs, 2023). Here, in this study, we introduce a novel annotation schema designed to extract generic process–structure–properties relationships from scientific literature. We demonstrate the utility of this approach using a dataset of 128 abstracts, with annotations drawn from two distinct domains: high-temperature materials (Domain I) and uncertainty quantification in simulating materials microstructure (Domain II). Initially, we developed a conditional random field (CRF) model based on MatBERT—a domain-specific BERT variant—and evaluated its performance on Domain I. Subsequently, we compared this model with a fine-tuned LLM (GPT-4o from OpenAI) under identical conditions. Our results indicate that fine-tuning LLMs can significantly improve entity extraction performance over the BERT-CRF baseline on Domain I. However, when additional examples from Domain II were incorporated, the performance of the BERT-CRF model became comparable to that of the GPT-4o model. These findings underscore the potential of our schema for structured knowledge extraction and highlight the complementary strengths of both modeling approaches.

Materials science↗

The role of the spatial heterogeneity and correlation length of surface wettability on two-phase flow in a CO 2 -water-rock system

This study characterized and modeled heterogeneous surface wettability in sandstone and investigated the role of spatial heterogeneity and correlation length of surface wettability on relative permeability in a supercritical CO 2 (scCO 2 )-brine-rock system. Understanding the role of wettability heterogeneity on relative permeability is essential to geological CO 2 sequestration, oil and gas recovery, and contaminated groundwater remediation. Although numerous studies have attempted to understand the influences of surface wettability, capillary number (Ca), and viscosity ratio, the role of the spatial variation and correlation length of surface wettability on two-phase flow in three-dimensional (3D) porous media has not been unraveled due to the challenges in the measurement and representation of realistic rock surface wettability. In this work, we conducted in-situ measurements of surface contact angle (CA) in a Bentheimer sandstone after CO 2 flooding using micro-computed tomography (micro-CT), and found that the pore-scale CA distribution on rock surfaces followed a log-normal distribution associated with a spatial correlation length. Based on the statistical information from CT scanning, a Gaussian random field was used to model CA distributions that had desired standard deviations and spatial correlation lengths, which were then adjusted within a certain range of values for sensitivity analyses to study their combined effects on the two-phase flow in the porous medium using the lattice Boltzmann (LB) method. The LB two-phase flow simulation was accelerated using hybrid, multicore parallel computing to overcome the challenges in simulating multiphase flow in a large 3D domain having 800 × 800 × 600 nodes. The simulation results showed that the surface wettability heterogeneity (i.e., standard deviation of CA) had a lesser effect on the relative permeability of the wetting fluid (water) but a more significant impact on the relative permeability of the non-wetting fluid (scCO 2 ). The Corey model was used to fit the LB-simulated relative permeability curves of water and scCO 2 and showed that the variations in the relative permeability curves for both water and scCO 2 increased as the standard deviation and spatial correlation length of CA increased. This study illustrated that the assumption of homogeneous surface wettability may cause errors in multiphase flow simulations. Furthermore, the impacts of both the standard deviation and spatial correlation length of CAs should be accounted for. This is the first study that explored the spatial correlation lengths associated with CA distributions on sandstone surfaces and comprehensively investigated the roles of both spatial variation and correlation length of CA on two-phase flow properties in 3D porous media. The optimized LB multiphase flow model was proved a powerful tool to study the interplays and combined effects of these statistical parameters, which had critical applications in numerous natural and engineering processes that involved multiphase flow in porous media.

58 GEOSCIENCES↗