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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Dynamic Modeling, Parameter Estimation, and Data Reconciliation of a Supercritical Pulverized Coal-Fired Boiler

A high-fidelity, spatially distributed dynamic model of a supercritical pulverized coal-fired boiler was developed for calculating transient thermal profiles of the boiler tubes, which are often not measured or unmeasurable in industrial settings due to the harsh operating conditions. In this work, rigorous models of the subcritical and supercritical steam properties, which can be highly nonlinear, were used to capture the transition between two-phase and one-phase flow, respectively, as supercritical boilers frequently transition through the critical point during load-following operation. The transient boiler model was also used for data reconciliation and parameter estimation for the purpose of model validation against industrial data. An approach was developed to reduce the size of large-scale reconciliation problem by focusing on the implementation of bias terms for the reconciled variables, which can be estimated in place of the reconciled variables themselves. In addition, a functional approximation of the reconciliation problem was defined so that it can be more simply optimized. Combining this functional approximation optimization with reformulation of the reconciliation problem considering measurement biases can significantly improve the tractability of many such large-scale problems. The validated boiler model was then used to study transient responses under load-following operation with specific attention on the calculation of unmeasurable variables.

42 ENGINEERING↗
DOE OSTI2019

Linear response of a Hall magnetic drift wave for verification of Hall MHD algorithms

Numerical implementations of Hall magnetohydrodynamics (Hall MHD) can be challenging due to the nonlinear multidimensional nature of the Hall term. Here, a model problem is presented that couples the hydrodynamic motion of the plasma to Hall MHD evolution of the magnetic field. The Hall MHD equations are linearized about unperturbed solutions in both cylindrical and Cartesian coordinates in two dimensions. The magnetic field is assumed to lie in the ignorable direction, and the linear response about the unperturbed solution is considered. The resulting ordinary differential equation is used to numerically compute the eigenfunctions and eigenfrequencies of the mode. The resulting eigenfunctions do not make the local wave approximation but are instead global solutions that depend on the spatial dependence of the unperturbed Alfvén speed. Hall MHD simulations are then performed in the Ares multiphysics code and shown to agree with the predicted phase velocities of the wave, and the simulated solutions are shown to numerically converge to the semianalytic modes. By varying the background density of the plasma (and correspondingly, the ion inertial length), the importance of Hall physics can be varied. This allows the test problem to transition from the classical MHD limit to the extreme Hall MHD limit. Furthermore, this problem is a useful tool for the verification of Hall MHD routines implemented in various codes, and the robustness of a routine can be tested in regimes in which Hall physics is dominant.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Towards a Robust Adaptive Digital Twin for Fusion Applications

The development of a digital twin system for fusion applications is essential for enhancing the prediction, analysis, and optimization of complex plasma processes. Machine learning (ML), particularly deep learning has demonstrated strong capabilities in modeling such highly nonlinear and intricate systems. However, two critical challenges limit the deployment of deep learning-based digital twins: Uncertainty Quantification (UQ) and data drift. UQ is vital for ensuring trustworthy predictions, especially in decision-support scenarios. Additionally, data-driven models are often sensitive to changes in the underlying data distribution, such as shot-to-shot variations in fusion experiments, which can lead to performance degradation over time. To address these challenges, we are developing an uncertainty-aware, adaptive digital twin framework. Our approach incorporates deep learning models enhanced with Gaussian Process approximations for predictive uncertainty estimation, coupled with an online learning mechanism that enables continuous model adaptation to new experimental data. This adaptive capability allows the data driven models to respond effectively to evolving plasma behaviors and equipment conditions. Specifically, to mitigate the effects of shot-to-shot drift, our system updates itself incrementally as new data becomes available, improving both robustness and fidelity. Our vision is to evolve this data driven model into a self-sustaining digital twin system that leverages UQ based feedback to continuously refine itself and potentially support real-time decision making. This presentation will cover a brief background on uncertainty quantification for ML, our ongoing effort on development of UQ capabilities for ML, our data science pipeline from data collection to model development and analysis and online learning framework for modeling coil deflection at DIII-D. I will also briefly touch upon opportunities and challenges in development of digital twin framework.

Sammuli, Brian [General Atomics]↗
DOE OSTI2017

Closing the scale gap between land surface parameterizations and GCMs with a new scheme, SiB3-Bins: SOIL MOISTURE SCALE GAP

The interaction of land with the atmosphere is sensitive to soil moisture (W). Evapotranspiration (ET) reacts to soil moisture in a nonlinear way, f(W), as soils dry from saturation to wilt point. This nonlinear behavior and the fact that soil moisture varies on scales as small as 1–10 m in nature, while numerical general circulation models (GCMs) have grid cell sizes on the order of 1 to 100s of kilometers, makes the calculation of grid cell-average ET problematic. It is impractical to simulate the land in GCMs on the small scales seen in nature, so techniques have been developed to represent subgrid scale heterogeneity, including: (1) statistical-dynamical representations of grid subelements of varying wetness, (2) relaxation of f(W), (3) moderating f(W) with approximations of catchment hydrology, (4) “tiling” the landscape into vegetation types, and (5) hyperresolution. Here we present an alternative method for representing subgrid variability in W, one proven in a conceptual framework where landscape-scale W is represented as a series of “Bins” of increasing wetness from dry to saturated. The grid cell-level f(W) is defined by the integral of the fractional area of the wetness bins and the value of f(W) associated with each. This approach accounts for the spatiotemporal dynamics of W. We implemented this approach in the SiB3 land surface parameterization and then evaluated its performance against a control, which assumes a horizontally uniform field of W. We demonstrate that the Bins method, with a physical basis, attenuates unrealistic jumps in model state and ET seen in the control runs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Turbulent transport of impurities and their effect on energy confinement

By presenting linear and nonlinear gyrokinetic studies, based on a balanced neutral beam injection deuterium discharge from the DIII-D tokamak, we demonstrate that impurities alter the scaling of the transport on the charge and mass of the main species, and even more importantly, they can dramatically change the energy transport even in relatively small quantities. A poloidally varying equilibrium electrostatic potential can lead to a strong reduction or sign change of the impurity peaking factor due to the combined effect of the in–out impurity density asymmetry and the E × B drift of impurities. Finally, we present an approximate expression for the impurity peaking factor and demonstrate that impurity peaking is not significantly affected by impurity self-collisions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Network-Cognizant Model Reduction of Grid-Tied Three-Phase Inverters

Power-electronics inverters are expected to satisfy a significant fraction of system load in next-generation power networks with the growing integration of renewable resources and flexible loads. Typical dynamical models for grid-tied inverters are nonlinear and composed of a large number of states; therefore it is impractical to study systems with many inverters when their full dynamics are retained. In our previous work, we have shown that a system of parallel-connected grid-tied three-phase inverters can be modeled as one aggregated inverter unit with the same structure and state-space dimension as any individual inverter in the system. Here, we extend this result to networks with arbitrary topologies by leveraging a classical aggregation method for coherent synchronous generators in transmission networks, and a linear approximation of the AC power-flow equations to ease computational burden. Numerical simulation results for a prototypical distribution feeder demonstrate the accuracy and computational benefits of the approach.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2011

DIRECT MEASUREMENTS OF MAGNETIC TWIST IN THE SOLAR CORONA

In the present work, we study the evolution of magnetic helicity in the solar corona. We compare the rate of change of a quantity related to the magnetic helicity in the corona to the flux of magnetic helicity through the photosphere and find that the two rates are similar. This gives observational evidence that helicity flux across the photosphere is indeed what drives helicity changes in the solar corona during emergence. For the purposes of estimating coronal helicity, we neither assume a strictly linear force-free field nor attempt to construct a nonlinear force-free field. For each coronal loop evident in extreme ultraviolet, we find a best-matching line of a linear force-free field and allow the twist parameter {alpha} to be different for each line. This method was introduced and its applicability discussed in Malanushenko et al. The object of this study is emerging and rapidly rotating AR 9004 over about 80 hr. As a proxy for coronal helicity, we use the quantity ({alpha}{sub i} L{sub i} /2) averaged over many reconstructed lines of magnetic field. We argue that it is approximately proportional to the 'flux-normalized' helicity H/{Phi}{sup 2}, where H is the helicity and {Phi} is the total enclosed magnetic flux of the active region. The time rate of change of such a quantity in the corona is found to be about 0.021 rad hr{sup -1}, which is comparable with the estimates for the same region obtained using other methods, which estimated the flux of normalized helicity to be about 0.016 rad hr{sup -1}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Optimal Power Flow of Radial Networks and Its Variations: A Sequential Convex Optimization Approach

This paper proposes a sequential convex optimization method to solve broader classes of optimal power flow (OPF) problems over radial networks. The non-convex branch power flow equation is decomposed as a second-order cone inequality and a non-convex constraint involving the difference of two convex functions. Provided with an initial solution offered by an inexact second-order cone programming relaxation model, this approach solves a sequence of convexified penalization problems, where concave terms are approximated by linear functions and updated in each iteration. It could recover a feasible power flow solution, which usually appears to be very close, if not equal, to the global optimal one. Two variations of the OPF problem, in which non-cost related objectives are optimized subject to power flow constraints and the convex relaxation is generally inexact, are elaborated in detail. One is the maximum loadability problem, which is formulated as a special OPF problem that seeks the maximal distance to the boundary of power flow insolvability. The proposed method is shown to outperform commercial nonlinear solvers in terms of robustness and efficiency. The other is the bi-objective OPF problem. A non-parametric scalarization model is suggested, and is further reformulated as an extended OPF problem by convexifying the objective function. It provides a single trade-off solution without any subjective preference. The proposed computation framework also helps retrieve the Pareto front of the bi-objective OPF via the e-constraint method or the normal boundary intersection method. This paper also discusses extensions for OPF problems over meshed networks based on the semidefinite programming relaxation method.

bi-objective optimization↗
DOE OSTI2015

Exactly solvable model of resonance tunneling of an electromagnetic wave in plasma containing short-scale inhomogeneities

Different variants of resonance tunneling of a transverse electromagnetic wave through a plasma layer containing short-scale (subwavelength) inhomogeneities, including evanescence regions to which approximate methods are inapplicable, are analyzed in the framework of an exactly solvable one-dimensional model. Complex plasma density profiles described by a number of free parameters determining the permittivity modulation depth, the characteristic scale lengths of plasma structures, their number, and the thickness of the inhomogeneous plasma layer are considered. It is demonstrated that reflection-free propagation of the wave incident on the layer from vacuum (the effect of wave-barrier transillumination) can be achieved for various sets of such structures, including plasma density profiles containing a stochastic component. Taking into account cubic nonlinearity, it is also possible to obtain an exact solution to the one-dimensional problem on the nonlinear transillumination of nonuniform plasma. In this case, the thicknesses of the evanescence regions decrease appreciably. The problem of resonance tunneling of electromagnetic waves through such barriers is of interest for a number of practical applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Global Simulations of Gravitational Instability in Protostellar Disks with Full Radiation Transport. II. Locality of Gravitoturbulence, Clumpy Spirals, and Implications for Observable Substructure

Spiral perturbations in a gravitationally unstable accretion disk regulate disk evolution through angular momentum transport and heating and provide an observational signature of gravitational instability (GI). We use global 3D simulations to systematically characterize and understand these spiral perturbations. The spiral perturbations and the resulting transport are overall insensitive to the cooling type, with the exception that radiative cooling, especially in the optically thick regime, reduces the amplitude of temperature perturbations. Spiral perturbations are localized around corotation, allowing transport to be approximated by a local α viscosity to zeroth order in aspect ratio (H/R), but only after averaging over multiple orbits in time and/or multiple scale heights in space. Meanwhile, large-amplitude perturbations from strong gravitoturbulence can cause $\mathcal{O}$(α 1/2 ) deviation in the cooling rate of the disk. We develop empirical prescriptions for the angular momentum transport, heating, and cooling in a gravitoturbulent disk that capture the deviation from a viscous, unperturbed disk to first order in H/R and α 1/2 . The spiral perturbations in saturated gravitoturbulence are clumpy, with dense clumps forming through the nonlinear coupling between multiple modes at different m. Observationally, the clumpy gravitoturbulence produced by saturated GI can be mistaken with observational noise or embedded companions, especially under finite resolution. Meanwhile, grand-design spirals with m-fold symmetry may be uncommon among disks in saturated gravitoturbulence, and we speculate that they may instead be a signature of recently triggered or decaying GI.

Gravitational instability↗
DOE OSTI2012

Cosmology at the frontier of neutrino physics

Combining measurements of the galaxy power spectrum and the cosmic microwave background (CMB) is a powerful means of constraining the summed mass of neutrino species {Sigma}m{sub v}, but is subject to systematic uncertainties due to non-linear structure formation, redshift-space distortions and galaxy bias. We empirically test the robustness of neutrino mass results to these effects by separately analyzing power spectra of red and blue galaxies from the Sloan Digital Sky Survey (SDSS-II) Data Release 7 (DR7), combined with the CMB five-year Wilkinson Microwave Anisotropy Probe (WMAP5) data. The between upper limits on neutrino mass for red and blue galaxies is approximately 1{sigma} from the value expected from mock catalogs for most models and k ranges tested. This indicates good agreement for current data but hints at possible issues for nextgeneration surveys. More details are available in [1].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Charge asymmetry in rovibrationally excited HD{sup +} determined using explicitly correlated all-particle Gaussian functions

Very accurate non-Born-Oppenheimer quantum-mechanical calculations are performed to determine the average values of the interparticle distances and the proton-deuteron density function for the rovibrationally excited HD{sup +} ion. The states corresponding to excitations to all bound vibrational states (v = 0, …, 22) and simultaneously excited to the first excited rotational state (N = 1) are considered. To describe each state up to 8000 explicitly correlated all-particle Gaussian functions are used. The nonlinear parameters of the Gaussians are variationally optimized using a procedure that employs the analytical energy gradient determined with respect to these parameters. The results show an increasing asymmetry in the electron distribution with the vibrational excitation as the electron density shifts towards deuteron and away from the proton.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Structural and optical properties of cobalt slanted nanopillars conformally coated with few-layer graphene

Optical characterization of anisotropic multicomponent nanostructures is generally not a trivial task, since the relation between a material's structural properties and its permittivity tensor is nonlinear. In this regard, an array of slanted cobalt nanopillars that are conformally coated with few-layer graphene is a particularly challenging object for optical characterization, as it has a complex anisotropic geometry and comprises several materials with different topologies and filling fractions. Normally, a detailed characterization of such complex nanostructures would require a combination of several microscopic and spectroscopic techniques. In this letter, we demonstrate that the important structural parameters of these graphene-coated sculptured thin films can be determined using a fast and simple generalized spectroscopic ellipsometry test combined with an anisotropic Bruggeman effective medium approximation. The graphene coverage as well as structural parameters of nanostructured thin films agree excellently with electron microscopy and Raman spectroscopy observations. The demonstrated optical approach may also be applied to the characterization of other nanostructured materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Accurate parameterization of the kinetic energy functional for calculations using exact-exchange

In this report, electronic structure calculations based on Kohn-Sham density functional theory (KSDFT) that incorporate exact exchange or hybrid functionals are associated with large computational expense, a consequence of the inherent cubic scaling bottleneck and large associated prefactor, which limits the length and time scales that can be accessed. Though orbital-free density functional theory (OFDFT) calculations scale linearly with system size and are associated with significantly smaller prefactor, they are limited by the absence of accurate density-dependent kinetic energy functionals. Therefore, the development of accurate density-dependent kinetic energy functionals is important for OFDFT calculations of large realistic systems. To this end, we propose a method to train kinetic energy functional models at the exact-exchange level of theory by using a dictionary of physically relevant terms that have been proposed in the literature in conjunction with linear or nonlinear regression methods to obtain the fitting coefficients. For our dictionary, we use gradient expansion of the kinetic energy, nonlocal models proposed in the literature and their nonlinear combinations, such as a model that incorporates spatial correlations between higher order derivatives of electron density at two points. The predictive capabilities of these models are assessed by using a variety of model one-dimensional systems that exhibit diverse bonding characteristics, such as a chain of eight hydrogens, LiF, LiH, C 4 H 2 , C 4 N 2 and C 3 O 2 . We show that by using data from model one-dimensional KSDFT calculations performed using the exact-exchange functional for only a few neutral structures, it is possible to generate models with high accuracy for charged systems as well as electron and kinetic energy densities during self-consistent field iterations. In addition, we show that it possible to learn both the orbital dependent terms, i.e., the kinetic energy and the exact-exchange energy, and models that incorporate additional nonlinearities in spatial correlations, such as a quadratic model, are needed to capture subtle features of the kinetic energy density that are present in exact-exchange-based KSDFT calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A path to practical Solar Pumped Lasers via Radiative Energy Transfer

The optical conversion of incoherent solar radiation into a bright, coherent laser beam enables the application of nonlinear optics to solar energy conversion and storage. Here, we present an architecture for solar pumped lasers that uses a luminescent solar concentrator to decouple the conventional trade-off between solar absorption efficiency and the mode volume of the optical gain material. We report a 750-μm-thick Nd 3+ -doped YAG planar waveguide sensitized by a luminescent CdSe/CdZnS (core/shell) colloidal nanocrystal, yielding a peak cascade energy transfer of 14%, a broad spectral response in the visible portion of the solar spectrum, and an equivalent quasi-CW solar lasing threshold of 23 W-cm -2 , or approximately 230 suns. The efficient coupling of incoherent, spectrally broad sunlight in small gain volumes should allow the generation of coherent laser light from intensities of less than 100 suns.

14 SOLAR ENERGY↗
DOE OSTI2016

Global kinetic ballooning mode simulations in BOUT++

We report on simulation results of a 3+1 gyro-Landau-fluid (GLF) model in BOUT++ framework, which contributes to increasing the physics understanding of the edge turbulence. We find that there is no second stability region of kinetic ballooning modes (KBM) in the concentric circular geometry. The first unstable β of KBM decreases below the ideal ballooning mode threshold with increasing ${{\eta}_{i}}$. In order to study the KBM in the real tokamak equilibrium, we find that the approximation of shifted circular geometry ($\beta \ll {{\varepsilon}^{2}}$ ) is not valid for a high β global equilibrium near the second stability region of KBM. Thus we generate a series of real equilibria from a global equilibrium solver CORSICA, including both Shafranov shift and elongation effects, but not including bootstrap current. In these real equilibria, the second stability region of KBM are observed in our global linear simulations. The most unstable mode for different β are the same while the mode number spectrum near the second stability region is wider than the case near the first stability region. Here, the nonlinear simulations show that the energy loss of an ELM keeps increasing with β, because the linear drive of the turbulence remains strong for the case near the second stability region during profile evolution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Hysteretic Superconducting Heat-Flux Quantum Modulator

In this work, we discuss heat transport in a thermally biased superconducting quantum-interference device (SQUID) in the presence of an external magnetic flux, when a non-negligible inductance of the SQUID ring is taken into account. A properly sweeping driving flux causes the thermal current to modulate and behave hysteretically. The response of this device is analyzed as a function of both the hysteresis parameter and the degree of asymmetry of the SQUID, highlighting the parameter range over which hysteretic behavior is observable. Markedly, the temperature of the SQUID also shows hysteretic evolution, with sharp transitions characterized by temperature jumps up to, e.g., approximately 0.02 K for a realistic Al-based setup. In view of these results, the proposed device can effectively find an application as a temperature-based superconducting memory element, working even at gigahertz frequencies by suitably choosing the superconductor on which the device is based.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Spontaneous magnon decays from nonrelativistic time-reversal symmetry breaking in altermagnets

Quasiparticles are central to condensed matter physics, but their stability can be undermined by quantum many-body interactions. Magnons, i.e., quasiparticles in quantum magnets, are particularly intriguing because their properties are governed by both real and spin space. While crystal symmetries may be low, spin interactions often remain approximately isotropic, limiting spontaneous magnon decay. Textbook wisdom holds that collinear Heisenberg magnets follow a dichotomy: ferromagnets host stable magnons, while antiferromagnetic magnons may decay depending on dispersion curvature. Up to now, relativistic spin-orbit coupling and noncollinear order that connect spin space to real space were shown to introduce more complex magnon instability mechanisms. Here, we show that even in nonrelativistic isotropic collinear systems, this conventional dichotomy is disrupted in altermagnets. Altermagnets, a newly identified class of collinear magnets, exhibit compensated spin order with nonrelativistic time-reversal symmetry breaking and even-parity band splitting. Using kinematic analysis, nonlinear spin-wave theory, and quantum simulations, we reveal that even weak band splitting opens a decay phase space, driving quasiparticle breakdown. Additionally, 𝑑-wave altermagnets form a rare “island of stability” at the Brillouin-zone center. Furthermore, our findings establish a quasiparticle stability trichotomy in collinear Heisenberg magnets and position altermagnets as a promising platform for unconventional spin dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗