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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

A Comparative Study of Two Widely Used Grid-Forming Droop Controls on Microgrid Small Signal Stability

Throughout history, two similar grid-forming droop controls are widely reported in literature—the single-and multi-loop droop controls. Although being very similar, the authors find that the dynamic performance and stability characteristics of each control method are very different in a microgrid. Compared with single-loop droop control, the multi-loop droop control is prone to be less damped and loses stability more easily under some circumstances. This paper provides a novel insight into the different dynamic responses of the two basic controls. It points out that the two similar controls adjust the angular frequency and voltage magnitude at different locations within the inverter, resulting in different coupling reactances that impact the dynamic response and stability of microgrids differently. The use of single-loop droop control results in a larger coupling reactance, which helps to improve dynamic response and stability. This novel insight is verified through full-order small signal analysis, offline electromagnetic transient simulation, and real-time hardware-in-the-loop simulation experiments. Results show that the microgrid has a larger small signal stability boundary when using single-loop droop control, and this difference increases as the value of an inverter’s inner filter inductance increases.

42 ENGINEERING↗
DOE OSTI2023

Optimizing cloud motion estimation on the edge with phase correlation and optical flow

Abstract. Phase correlation (PC) is a well-known method for estimating cloud motion vectors (CMVs) from infrared and visible spectrum images. Commonly, phase shift is computed in the small blocks of the images using the fast Fourier transform. In this study, we investigate the performance and the stability of the blockwise PC method by changing the block size, the frame interval, and combinations of red, green, and blue (RGB) channels from the total sky imager (TSI) at the United States Atmospheric Radiation Measurement user facility's Southern Great Plains site. We find that shorter frame intervals, followed by larger block sizes, are responsible for stable estimates of the CMV, as suggested by the higher autocorrelations. The choice of RGB channels has a limited effect on the quality of CMVs, and the red and the grayscale images are marginally more reliable than the other combinations during rapidly evolving low-level clouds. The stability of CMVs was tested at different image resolutions with an implementation of the optimized algorithm on the Sage cyberinfrastructure test bed. We find that doubling the frame rate outperforms quadrupling the image resolution in achieving CMV stability. The correlations of CMVs with the wind data are significant in the range of 0.38–0.59 with a 95 % confidence interval, despite the uncertainties and limitations of both datasets. A comparison of the PC method with constructed data and the optical flow method suggests that the post-processing of the vector field has a significant effect on the quality of the CMV. The raindrop-contaminated images can be identified by the rotation of the TSI mirror in the motion field. The results of this study are critical to optimizing algorithms for edge-computing sensor systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Stability-Constrained Learning for Frequency Regulation in Power Grids With Variable Inertia

The increasing penetration of converter-based renewable generation has resulted in faster frequency dynamics, and low and variable inertia. As a result, there is a need for frequency control methods that are able to stabilize a disturbance in the power system at timescales comparable to the fast converter dynamics. This paper proposes a combined linear and neural network controller for inverter-based primary frequency control that is stable at time-varying levels of inertia. We model the time-variance in inertia via a switched affine hybrid system model. We derive stability certificates for the proposed controller via a quadratic candidate Lyapunov function. We test the proposed control on a 12-bus 3-area test network, and compare its performance with a base case linear controller, optimized linear controller, and finite-horizon Linear Quadratic Regulator (LQR). Our proposed controller achieves faster mean settling time and over 50% reduction in average control cost across 100 inertia scenarios compared to the optimized linear controller. Unlike LQR which requires complete knowledge of the inertia trajectories and system dynamics over the entire control time horizon, our proposed controller is real-time tractable, and achieves comparable performance to LQR.

data-driven control↗
DOE OSTI2021

Implicit extensions of an explicit multirate Runge–Kutta scheme

In this work, we propose a new method that extends conservative explicit multirate methods to implicit explicit-multirate methods. We develop extensions of order one and two with different stability properties on the implicit side. The method is suitable for time-stepping adaptive mesh refinement PDE discretizations with different degrees of stiffness. A numerical example with an advection-diffusion problem illustrates the new method's properties.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Humidity-Induced Photoluminescence Hysteresis in Variable Cs/Br Ratio Hybrid Perovskites

Hybrid organic–inorganic perovskites containing Cs are a promising new material for light-absorbing and light-emitting optoelectronics. However, the impact of environmental conditions on their optical properties is not fully understood. In this paper, we elucidate and quantify the influence of distinct humidity levels on the charge carrier recombination in Cs x FA 1–x Pb(I y Br 1–y ) 3 perovskites. Using in situ environmental photoluminescence (PL), we temporally and spectrally resolve light emission within a loop of critical relative humidity (rH) levels. Our measurements show that exposure up to 35% rH increases the PL emission for all Cs (10–17%) and Br (17–38%) concentrations investigated here. Spectrally, samples with larger Br concentrations exhibit PL redshift at higher humidity levels, revealing water-driven halide segregation. The compositions considered present hysteresis in their PL intensity upon returning to a low-moisture environment due to partially reversible hydration of the perovskites. Our findings demonstrate that the Cs/Br ratio strongly influences both the spectral stability and extent of light emission hysteresis. Finally, we expect our method to become standard when testing the stability of emerging perovskites, including lead-free options, and to be combined with other parameters known for affecting material degradation, e.g., oxygen and temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Hybrid Fixed-Point Fixed-Stress Splitting Method for Linear Poroelasticity

Efficient and accurate poroelasticity models are critical in modeling geophysical problems such as oil exploration, gas-hydrate detection, and hydrogeology. We propose an efficient operator splitting method for Biot’s model of linear poroelasticity based on fixed-point iteration and constrained stress. In this method, we eliminate the constraint on time step via combining our fixed-point approach with a physics-based restraint between iterations. Three different cases are considered to demonstrate the stability and consistency of the method for constant and variable parameters. The results are validated against the results from the fully coupled approach. In case I, a single iteration is used for continuous coefficients. The relative error decreases with an increase in time. In case II, material coefficients are assumed to be linear. In the single iteration approach, the relative error grows significantly to 40% before rapidly decaying to zero. This is an artifact of the approximate solutions approaching the asymptotic solution. The error in the multiple iterations oscillates within 10 − 6 before decaying to the asymptotic solution. Nine iterations per time step are enough to achieve the relative error close to 10 − 7 . In the last case, the hybrid method with multiple iterations requires approximately 16 iterations to make the relative error 5 × 10 − 6 .

Delgado, Paul M.↗
DOE OSTI2018

STABILIZATION OF BIO-OIL TO ENABLE ITS HYDROTREATING TO PRODUCE BIOFUELS

Fast pyrolysis is considered to be the simplest and most cost-effective approach to produce liquid oil (bio-oil) from biomass. Bio-oil is not suitable to substitute for petroleum as high-quality fuels and significant upgrading such as hydrotreating is required to remove oxygen, add hydrogen, and rearrange carbon backbone of bio-oil. However, the grand challenge in bio-oil hydrotreating technology is bio-oil instability, which limits the lifetime of catalyst and operation. To enable a sustainable and economically viable process for bio-oil hydrotreating, it is vital to develop effective technologies for stabilizing bio-oils. This chapter will be devoted to bio-oil stabilization. The current understating of the major cause of bio-oil instability, condensation of reactive species such as sugar, aldehydes, ketones, and phenolics, is elucidated. The reported physical and chemical methods for bio-oil stabilization are summarized in detail, with a specific focus on bio-oil catalytic hydrogenation for stabilization. The impact of stabilization on bio-oil hydrotreating is discussed as well.

Wang, Huamin↗
DOE OSTI2019

Gauge structures: From stabilizer codes to continuum models

Stabilizer codes are a powerful method for implementing fault-tolerant quantum memory and in the case of topological codes, they form useful models for topological phases of matter. In this paper, we discuss the theory of stabilizer codes as a discrete version of a linear gauge structure, a concept we introduce here. A linear gauge structure captures all the familiar ingredients of U(1) gauge theory including a generalization of charge conservation, Maxwell equations and topological terms. Using this connection, we prove some important results for stabilizer codes which can be used to characterize their error-correction properties. However, this perspective does not depend on any particular Hamiltonian or Lagrangian, which as a consequence is agnostic to the source of the gauge redundancy. Based upon the connection to stabilizer codes, we view the source of the gauge redundancy as an ambiguity in the tensor product structure of the Hilbert space. That is, the gauge provides a set of equivalent but arbitrary ways to factorize the Hilbert space. We apply this formalism to the d=2 and 3 toric code as well as the paradigm fracton models, X-Cube and Haah’s cubic code. From this perspective, we are able to map all these models to some continuum version which captures all or some of the fractonic and topological features of their parent discrete models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Effect of surface loading and bulk doping of La{sup 3+} on the thermal stability and photocatalytic activity of Bi{sub 2}O{sub 2}CO{sub 3}

Graphical abstract: The Bi{sub 2}O{sub 2}O{sub 3} modified La{sup 3+} was synthesized using two methods of co-precipitation (La-Bi{sub 2}O{sub 2}O{sub 3}) and wet impregnation (La/Bi{sub 2}O{sub 2}O{sub 3}). As compared with La-Bi{sub 2}O{sub 2}O{sub 3}, Bi{sub 2}O{sub 2}CO{sub 3} can be effectively stabilized by impregnation method, as La{sup 3+} is mainly dispersed onto the surface of Bi{sub 2}O{sub 2}O{sub 3}. In photocatalytic degradation of MO, it is found that the surface modification with La{sup 3+} can enhance the photocatalytic efficiency of Bi{sub 2}O{sub 2}O{sub 3}. The surface loading La{sup 3+} could act as an effective electron scavenger to trap the CB electrons of Bi{sub 2}O{sub 2}CO{sub 3} to reduce the recombination of electrons and holes in the surface. - Highlights: • The effect of La{sup 3+} on the thermal stability of Bi{sub 2}O{sub 2}CO{sub 3} is different for the impregnation method and coprecipitation method. • Bi2O2CO3 can be effectively stabilized by impregnation method, as La3+ is mainly dispersed onto the surface of Bi2O2O3. • Surface loading La3+ is benefit for the improvement in the photocatalytic activity of Bi2O2CO3. • Surface modification of La3+ greatly suppresses the charge recombination of photogenerated electron–hole pairs in Bi2O2CO3. - Abstract: The Bi{sub 2}O{sub 2}O{sub 3} modified La{sup 3+} was synthesized using two methods of co-precipitation (La-Bi{sub 2}O{sub 2}O{sub 3}) and wet impregnation (La/Bi{sub 2}O{sub 2}O{sub 3}). The effects of the above two modification methods on the stability of Bi{sub 2}O{sub 2}CO{sub 3} after calcination and the physicochemical properties of Bi{sub 2}O{sub 2}CO{sub 3} were investigated by XRD, SEM, BET, and XPS. As compared with La-Bi{sub 2}O{sub 2}O{sub 3}, it is observed that Bi{sub 2}O{sub 2}CO{sub 3} can be effectively stabilized by impregnation method, as La{sup 3+} is mainly dispersed onto the surface of Bi{sub 2}O{sub 2}O{sub 3}. The photocatalytic activities for the methyl orange degradation for the La/Bi{sub 2}O{sub 2}CO{sub 3} and the La-Bi{sub 2}O{sub 2}CO{sub 3} samples were tested, and the results showed that surface doping (impregnation method) is benefit for the improvement in the photocatalytic activity, as compared with bulk doping (coprecipitation method). PL characterization revealed the differences in the photocatalytic process for surface doping and bulk doping. The surface modification of La{sup 3+} greatly suppresses the charge recombination of photogenerated electron−hole pairs in Bi{sub 2}O{sub 2}CO{sub 3}, which would be beneficial to improve their photocatalytic activity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Application of linear prolongation to coarse mesh finite difference acceleration in CASMO5

The Coarse-Mesh Finite Difference (CMFD) method has been used for over a decade to accelerate the convergence of the Method of Characteristics (MOC) solution to the two- dimensional particle transport equation in CASMO5. Numerical testing, along with widespread use in production-level calculations, have shown that the current CMFD implementation provides stability and robustness for a wide range of realistic reactor physics problems. However, the recent development of linear prolongation has attracted attention from the community as a way to further improve the performance and stability of CMFD. Two interpolation methods for linear prolongation are presented in this work and implemented into a test version of CASMO5. The performance of the proposed interpolations, referred to as the bilinear and linear directional schemes, is evaluated in terms of runtime relative to the default constant or uniform scaling update. Numerical results indicate that the use of linear prolongation can reduce the transport solver runtime on average by approximately 10% when tested with two hundred randomly selected cases. The new directional linear interpolation, combined with default constant boundary updates, is found to provide the highest reduction in runtime for the cases analyzed. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

ROY Revisited, Again: The Eighth Solved Structure

X-ray powder diffraction and crystal structure prediction (CSP) algorithms were used in synergy to establish the crystal structure of the eighth polymorph of 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (ROY), form R05. R05 crystallizes in the monoclinic space group P2_1 with lattice parameters a = 11.479(4) Å, b = 11.030(1) Å, c = 10.840(6) Å, β = 118.23(1)°. This is both the first acentric ROY polymorph, and the first with Z' > 1. The torsion angles defined by the S-C-N-C atom sequence of each molecule in the asymmetric unit are -34.0° and 44.9°. These angles fall between those previously determined for the red and orange forms of ROY. Hirshfeld surface analysis was employed to understand the crystal packing and intermolecular interactions in R05 and an updated energy stability ranking was determined using computational methods. Finally, although the application of CSP was critical to the structure solution of R05, energy stability rankings determined using a series of DFT vdW-inclusive models substantially deviate from experiment, indicating that ROY polymorphism continues to be a challenge for CSP.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Numerical methods for fractional Fokker–Planck equation with multiplicative Marcus Lévy noises

The Fokker–Planck equation (FPE) is an important deterministic tool for investigating stochastic dynamical systems. In this paper, we consider the space-time fractional FPE driven by multiplicative Marcus Lévy noises. Efficient numerical schemes are presented to solve the equations. Stability and convergence of the methods are also discussed. We give some numerical experiments to validate our schemes, and examine the effects of parameters on solutions. Additionally, we analyze the maximal likely trajectories and the critical time for the change of the most probability location.

Mathematics↗
DOE OSTI2018

Preparation of fluorescent carbon dots and their interaction with human-transferrin (hTf)

Highlights: • Glycine–modified Carbon dots (G-CDs) with high fluorescent quantum yield (QY = 31%) were prepared by microwave-assisted method. • G-CDs were stability at biological system, and had low cytotoxicity. • Human transferrin (hTf) had one type of binding site with G-CDs, and the fluorescence quenching mode was static quenching process. - Abstract: Luminescent carbon dots (CDs) are new fluorescent materials and widely used in biomedical fields. In this paper, CDs were prepared using citric acid and glycine (denoted G-CDs) by one-step microwave-assisted method and characterized by transmission electron microscopy (TEM), power X-ray diffraction (XRD), nuclear magnetic resonance ({sup 13}CNMR), and Fourier transform infrared (FT-IR). The results showed that glycine was better than PEG200 or hexadecyltrimethyl ammonium bromide (CTAB) as the modification in reaction. The prepared G-CDs had the sizes about 10 nm, high fluorescent quantum yield (QY) up to 31%, and stability at biological system. Moreover, G-CDs had low cytotoxicity. Our results verified that amino group (or secondary amines) had a significant effect on the QY; one-step microwave-assisted method was simple, efficient and green. The further experiments about the interaction of G-CDs with human transferrin (hTf) were also detected. Data showed that there was a strong interaction between G-CDs and hTf, and one type of binding site between them. The quenching mode of fluorescence of hTf with G-CDs was static quenching process.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Towards a novel stellar opacity measurement scheme using stability properties of double ablation front structures

A novel method for bringing sample elements to hydrodynamic conditions relevant to the base of the solar convection zone is investigated. The method is designed in the framework of opacity measurements and exploits the temporal and spatial stability of hydrodynamic parameters in counter-propagating Double Ablation Front (DAF) structures. The physics of symmetric DAF structures is first studied in 1D geometries to assess the influence of tracer layers in the target. These results are used to propose an experimental design compatible with the OMEGA [Boehly et al., Opt. Commun. 133(1-6), 495–506 (1997)] laser. Radiative-hydrodynamic simulations conducted using the Chic code [Breil et al., Comput. Fluids 46, 161–167 (2011).] in 2D-axisymmetric geometries suggest that a Fe sample can be brought to an electron temperature of ∼160 eV and electron number density of ∼1.35 × 1023 cm−3. These parameters are reached during a 500 ps window with temporal variations of the order of 10 eV and 1022 cm−3, respectively. This allows for potential time-integrated spectral measurements. During that time, the sample is almost at local thermal equilibrium and 2D spatial gradients in the sample are less than 5% in a 360 μm diameter cylindrical volume, including the potential effects of Hot Electrons (HE) and typical uncertainties related to target fabrication and laser performances. The effects of HEs are assessed using an inline model in Chic. The HEs are found to deposit most of their energy in the cold and dense ablator between the two fronts, leading to a small efficiency loss on the DAF parameters. The calculations also suggest that negligible amounts of unabsorbed HEs are present in the probed volume, thus not affecting the atomic properties of the sample. Potential extensions of the current design to higher sample temperatures within the OMEGA capabilities are briefly discussed.

Colaïtis, A.↗
DOE OSTI2019

Electronic Structure and Phase Stability of Yb-filled CoSb 3 Skutterudite Thermoelectrics from First Principles

Filling the large voids in the crystal structure of the skutterudite CoSb$_3$ with rattler atoms $R$ provides an avenue for both increasing carrier concentration and disrupting lattice heat transport, leading to impressive thermoelectric performance. While the influence of $R$ on the lattice dynamics of skutterudite materials has been well studied, the phase stability of $R$-filled skutterudite materials and the influence of the presence and ordering of $R$ on the electronic structure remain unclear. Here, focusing on the Yb-filled skutterudite Yb$_x$Co$_4$Sb$_{12}$, we employ first-principles methods to compute the phase stability and electronic structure. Yb-filled CoSb$_3$ exhibits (1) a mild tendency for phase separation into Yb-rich and Yb-poor regions and (2) a strong tendency for chemical decomposition into Co--Sb and Yb--Sb binaries (i.e., CoSb$_3$, CoSb$_2$, and YbSb$_2$). We find that, at reasonable synthesis temperatures, configurational entropy stabilizes single-phase solid solutions with limited Yb solubility, in agreement with experiments. Filling CoSb$_3$ with Yb increases the band gap, enhances the carrier effective masses, and generates new low-energy ``emergent'' conduction band minima, which is distinct from the traditional band convergence picture of aligning the energies of existing band extrema. The explicit presence of $R$ is necessary to achieve the emergent conduction band minima, though the rattler ordering does not strongly influence the electronic structure. The emergent conduction bands are spatially localized in the Yb-rich regions, unlike the delocalized electronic states at the Brillouin zone center that form the unfilled skutterudite band edges.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Compact feature-aware Hermite-style high-order surface reconstruction

High-order surface reconstruction is now a commonly used technique for mesh generation and adaptation, geometric and physical modeling, and high-order numerical methods for solving partial differential equations (PDEs). However, surface reconstruction from a relatively coarse mesh remained a challenging problem, especially for surfaces with sharp features. Here in this paper, we introduce a new method to address this challenge by improving the previous state of the art, including continuous moving frames (CMF) and weighted averaging of local fittings (WALF) (Eng Comput 28 (2012)), in two aspects. First, we significantly improve the robustness of reconstruction from coarse meshes using a Hermite-style least squares approximation to incorporate normals of the surface and tangents of the feature curves. Second, we ensure both G 0 continuity and high-order accuracy of the reconstruction near sharp features by generating parametric surface elements with an iterative feature-aware parameterization. We present the theoretical framework of our method and compare it against point-based methods in terms of accuracy and stability. We demonstrate the use of the proposed technique in generating high-order meshes for finite element methods, and show that it enables nearly identical solutions as using the meshes generated from exact geometry, while allowing additional flexibility.

42 ENGINEERING↗
DOE OSTI2021

A Convex Data-Driven Approach for Nonlinear Control Synthesis

We consider a class of nonlinear control synthesis problems where the underlying mathematical models are not explicitly known. We propose a data-driven approach to stabilize the systems when only sample trajectories of the dynamics are accessible. Our method is built on the density-function-based stability certificate that is the dual to the Lyapunov function for dynamic systems. Unlike Lyapunov-based methods, density functions lead to a convex formulation for a joint search of the control strategy and the stability certificate. This type of convex problem can be solved efficiently using the machinery of the sum of squares (SOS). For the data-driven part, we exploit the fact that the duality results in the stability theory can be understood through the lens of Perron–Frobenius and Koopman operators. This allows us to use data-driven methods to approximate these operators and combine them with the SOS techniques to establish a convex formulation of control synthesis. The efficacy of the proposed approach is demonstrated through several examples.

97 MATHEMATICS AND COMPUTING↗