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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Computational study of nonlinear plasma waves

A low-noise plasma simulation model is developed and applied to a series of linear and nonlinear problems associated with electrostatic wave propagation in a one-dimensional, collisionless, Maxwellian plasma, in the absence of magnetic field. It is demonstrated that use of the hybrid simulation model allows economical studies to be carried out in both the linear and nonlinear regimes with better quantitative results, for comparable computing time, than can be obtained by conventional particle simulation models, or direct solution of the Vlasov equation. The characteristics of the hybrid simulation model itself are first investigated, and it is shown to be capable of verifying the theoretical linear dispersion relation at wave energy levels as low as .000001 of the plasma thermal energy. Having established the validity of the hybrid simulation model, it is then used to study the nonlinear dynamics of monochromatic wave, sideband instability due to trapped particles, and satellite growth.

Matsuda, Y.↗
DOE OSTI2022

2.1.3.404 - WEC Array Power Management and Output Simulation Tool

An array of wave energy converter (WEC) devices has variations in power output due to the chaotic nature of the waves. Eliminating or mitigating the power fluctuations is important for reducing the integration impacts of WEC plants in both distribution and transmission grids, and in standalone isolated power systems. Reduced variability of WEC-generated power in combination with energy storage or power management control at each WEC and at the array level will help increasing hosting capacity of distribution feeders for this type of variable renewable generation, and minimization of electric losses. To reduce risks and risk perception, gain key stakeholder acceptance, and enable developers to design effective and compatible energy plants with arrays of WEC devices, it requires the use of modeling tools to simulate the resource environment, device dynamics, utility power system response, as well as the development of an interface for an array controller. The project will create a publicly accessible numerical modeling framework to empower the wave energy sector to design projects of various scales (kW-100s MW), which are optimized on a plant performance basis and are compatible with different power systems and wave conditions. The framework will integrate with WEC-Sim, a wave environment model (SWAN-FUNWAVE), as well as established relevant electrical analysis tools, to model the grid system and interconnection, and optimize power output and power management for the WEC array.

POWER TRANSMISSION AND DISTRIBUTION,TIDAL AND WAVE↗
DOE OSTI2024

A reduced-order model for nonlinear radiative transfer problems based on moment equations and POD-Petrov-Galerkin projection of the normalized Boltzmann transport equation

A data-driven projection-based reduced-order model (ROM) for nonlinear thermal radiative transfer (TRT) problems is presented. The TRT ROM is formulated by (i) a hierarchy of low-order quasidiffusion (aka variable Eddington factor) equations for moments of the radiation intensity and (ii) the normalized Boltzmann transport equation (BTE). The multilevel system of moment equations is derived by projection of the BTE onto a sequence of subspaces which represent elements of the phase space of the problem. Exact closure for the moment equations is provided by the Eddington tensor. A Petrov-Galerkin (PG) projection of the normalized BTE is formulated using a proper orthogonal decomposition (POD) basis representing the normalized radiation intensity over the whole phase space and time. The Eddington tensor linearly depends on the solution of the normalized BTE. By linear superposition of the POD basis functions, a low-rank expansion of the Eddington tensor is constructed with coefficients defined by the PG projected normalized BTE. The material energy balance (MEB) equation is coupled with the effective gray low-order equations which exist on the same dimensional scale as the MEB equation. The resulting TRT ROM is structure and asymptotic preserving. A detailed analysis of the ROM is performed on the classical Fleck-Cummings (F-C) TRT multigroup test problem in 2D geometry. Numerical results are presented to demonstrate the ROM's effectiveness in the simulation of radiation wave phenomena. Importantly, the ROM is shown to produce solutions with sufficiently high accuracy while using low-rank approximation of the normalized BTE solution. Essential physical characteristics of supersonic radiation wave are preserved in the ROM solutions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

1-D coupled surface flow and transport equations revisited via the physics-informed neural network approach

The de Saint-Venant equation (SVE) and advection–diffusion equation (ADE) are commonly employed to solve solute transport problems in surface water. In this work, we propose a mesh-free method based on the physics-informed neural network (PINN) to solve the one dimensional (1-D) SVE, ADE, and the coupled SVE and ADE (SVE-ADE) under various initial and boundary conditions. The PINN model extends the architecture of deep neural networks (DNNs) with implementation of loss function, which are additionally subject to constraints imposed by the physical laws of SVE and ADE, along with their initial and boundary conditions. In such a manner, PINNs can be quickly steered to the true solution while obeying the physical laws. The results of PINN model are compared with the analytical and/or numerical solutions under various conditions to investigate its accuracy and efficiency in solving the SVE, ADE, and SVE-ADE. Our results indicate PINN can accurately simulate the shock wave morphology and avoid numerical dissipation in unsteady flow condition. The PINN method outweighed traditional numerical methods in several aspects, including its ability to function with small amounts of data, no grid discretization, and random selection of sampling points, etc. Additionally, the PINN method is also suitable for solving inverse problems with sparse and noisy data. With 1% noise and 2000 initial and boundary condition points (N u ), the errors of the estimated flow rate (v) and diffusion coefficient (D) are 0.003% and 0.105%, respectively, which indicate the accuracy and robustness of the proposed method. Finally, our results indicate the capability and robustness of the proposed PINN methodology for solving multi-physics problems, irrespective of the presence of sparse and noisy data in the training dataset.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A holey cavity for single-transducer 3D ultrasound imaging with physical optimization

Within the compressive sensing (CS) framework, one effective way to increase the likelihood of successful signal reconstruction is to employ random processes in the construction of the sensing matrix. This work presents a 3D holey cavity, with diverse frequency modes, to spectrally code, that is, randomize, the ultrasound wave fields. The simulated results show that the use of such a cavity enables imaging simple or complex targets, such as spheres or the letter E, by only a single transceiver—something that is not possible without the use of a coding structure like the cavity. The effect of noise on imaging results and the size of the targets on the first-order Born approximation (BA) are also investigated. Moreover, this study attempts to optimize the cavity, based on a single numerical metric, such as the sum of singular values (SSV) or mutual coherence (MC). Yet, it will be shown that neither of these metrics can consistently compare the norm-one imaging performance between two cavities of different materials or hole sizes. This leaves finding a quantitative metric for these kinds of optimizations an open problem.

42 ENGINEERING↗
DOE OSTI2024

High pressure suppression of plasticity due to an overabundance of shear embryo formation

Abstract High pressure shear band formation is a critical phenomenon in energetic materials due to its influence on both mechanical strength and mechanochemical activation. While shear banding is known to occur in a variety of these materials, the governing dynamics of the mechanisms are not well defined for molecular crystals. We conduct molecular dynamics simulations of shock wave induced shear band formation in the energetic material 1,3,5-trinitroperhydro-1,3,5-triazine (RDX) to assess shear band nucleation processes. We find, that at high pressures, the initial formation sites for shear bands, “embryos”, form in excess and rapidly lower deviatoric stresses prior to shear band formation and growth. This results in the suppression of plastic deformation. A local cluster analysis is used to quantify and contrast this mechanism with a more typical shear banding seen at lower pressures. These results demonstrate a mechanism that is reversible in nature and that supersedes shear band formation at increased pressures. We anticipate that these results will have a broad impact on the modeling and development of high-strain rate application materials such as those for high explosives and hypersonic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Experimental demonstration of broadband solar absorption beyond the lambertian limit in certain thin silicon photonic crystals

The tantalizing possibility of 31% solar-to-electric power conversion efficiency in thin film crystalline silicon solar cell architectures relies essentially on solar absorption well beyond the Lambertian light trapping limit (Bhattacharya and John in Nat Sci Rep 9:12482, 2019). Up to now, no solar cell architecture has exhibited above-Lambertian solar absorption, integrated over the broad solar spectrum. In this work, we experimentally demonstrate two types of photonic crystal (PhC) solar cells architectures that exceed Lambertian light absorption, integrated over the entire 300–1,200 nm wavelength band. These measurements confirm theoretically predicted wave-interference-based optical resonances associated with long lifetime, slow-light modes and parallel-to-interface refraction. These phenomena are beyond the realm of ray optics. Using two types of 10-μm thick PhC’s, first an Inverted Pyramid PhC with lattice constant a= 2,500 nm and second a Teepee PhC with a = 1,200 nm, we observe solar absorption well beyond the Lambertian limit over λ = 950–1,200 nm. Our absorption measurements correspond to the maximum-achievable-photocurrent-density (MAPD), under AM1.5G illumination at 4-degree incident angle, 41.29 and 41.52 mA/cm2 for the Inverted Pyramid and Teepee PhC, respectively, in agreement with wave-optics, numerical simulations. Both of these values exceed the MAPD (= 39.63 mA/cm2) corresponding to the Lambertian limit for a 10-μm thick silicon for solar absorption over the 300–1,200 nm band.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Libration of hydroxyl groups in layered aluminum (oxy)hydroxides and other material analogs: insights from inelastic neutron scattering and theory

We analyzed the hydroxyl librational signatures of five structurally related aluminum (oxy)hydroxides, using inelastic neutron scattering (INS) and plane-wave lattice dynamics simulations. A clear trend across these aluminum-containing phases illustrates the relationship between hydrogen bonding, local atomic structure, and the spectral location and profile of the librational bands. The INS spectra have been compared to previous optical spectroscopy and computational studies, highlighting the complementary nature of the INS technique. Taking into account other structurally or chemically related material analogs, we have identified a correlation between a blueshift (to higher energy) of the upper librational band edge and the geometry of the hydrogen bond interactions, mirroring (with opposite correlation) the well-known redshift in the intramolecular O–H stretching energy with increasing hydrogen bond strength. For hydroxyl groups that do not participate in hydrogen bonding effectively, the bending librations occur at lower energies and hybridize with metal–oxygen lattice modes. Standard density functional theory approximations, including dispersion corrections, struggle to correctly predict vibrational frequencies of motions dominated by H but perform well for metal–oxygen modes, allowing us to make detailed mode assignments in several cases, including a demonstration of how layer-to-layer disorder in boehmite hydrogen bond orientations is reflected in the sharp but minor low energy peaks (at ∼70–80 meV) of the INS spectrum.

Wang, Hsiu-Wen [Oak Ridge National Laboratory (ORN↗
DOE OSTI2025

The polarized-signal density matrix: A practical way to recover molecular frame information from isotropic samples

We present a novel approach to model ultrafast time-dependent nonlinear optical polarization sensitive signals emitted from randomly oriented molecules. By projecting the laboratory-frame analyzer polarization axis into the molecular-frame and linking that axis with the density matrix through a tensor product, we demonstrate an approach to find a specific molecular orientation that yields a good approximation to simulated four-wave mixing signals produced by the same model but with averaging over molecular orientation.

Thurston, Richard L↗
DOE OSTI2020

Infrared plasmonics: STEM-EELS characterization of Fabry-Pérot resonance damping in gold nanowires

Materials possessing strong midinfrared responses are of current interest because of their potential application to long-wavelength metamaterials, photonic devices, molecular detection, and catalysis. In this work, we utilize high-energy resolution (80 cm -1 , 10 meV) electron-energy-loss spectroscopy (EELS) in a monochromated and aberration-corrected scanning transmission electron microscope (STEM) to resolve multipolar surface plasmon resonances (SPRs), sometimes called Fabry-Pérot (FP) resonances, in gold nanowires with mode energies spanning from ~1000 to 8000 cm -1 . STEM-EELS provides access to these mid- to near-IR responses in a single acquisition, avoiding the difficulties inherent in obtaining the same data using near-field optical techniques. The experimentally measured FP resonance energies and linewidths, together with analytical modeling and full-wave numerical electrodynamics simulations, provide a comprehensive picture of the radiative and intrinsic contributions to the total damping rates. We find some FP modes with dephasing times >60fs, which is almost twice the longest previously reported plasmon dephasing time for individual Au nanoparticles in the infrared. The long dephasing times and the broad tunability of the FP resonance energies throughout the infrared region suggest additional opportunities for harnessing infrared plasmonic energy before dephasing occurs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Absorption of charged particles in perfectly matched layers by optimal damping of the deposited current

Perfectly matched layers (PMLs) are widely used in particle-in-cell simulations, in order to absorb electromagnetic waves that propagate out of the simulation domain. However, when charged particles cross the interface between the simulation domain and the PMLs, a number of numerical artifacts can arise. Here, in order to mitigate these artifacts, we introduce a PML algorithm whereby the current deposited by the macroparticles in the PML is damped by an analytically derived optimal coefficient. The benefits of this algorithm are illustrated in practical simulations. In particular, it is shown that this algorithm is well suited for particles exiting the box in near-normal incidence, in the sense that the fields behave as if the exiting particle is propagating in an infinite vacuum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Topological Langmuir-cyclotron wave

A theory is developed to describe the topological Langmuir-cyclotron wave (TLCW), a topological excitation in magnetized plasmas recently identified by numerical simulations. As a topological wave in a continuous medium, the TLCW propagates unidirectionally without scattering in complex boundaries and can be explored as an effective mechanism to energize particles. We show that, because momentum space in continuous media is contractible in general, the topology of the wave bundles is trivial over momentum space that contains no degeneracy points. This is in stark contrast to condensed matters with periodic lattice structures that impose nontrivial topology on momentum space. In continuous media without lattice structures, nontrivial topology of the eigenmode bundles manifests over phase space, and it is the nontrivial topology over phase space that underpins the topological excitations, such as the TLCW. It is shown that the TLCW can be faithfully modeled by a generic tilted Dirac cone in phase space, whose entire spectrum, including the spectral flow, is given.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Recovering cavity effects in corrugated organic light emitting diodes

Cavity effects play an important role in determining the out-coupling efficiency of an OLED. By fabricating OLEDs on corrugated substrates, the waveguide and SPP modes can be extracted by diffraction. However, corrugation does not always lead to an enhancement in out-coupling efficiency due to the reduction of the electrode reflectance and hence the cavity effects. Based on the results of our rigorous couple-wave analysis (RCWA) simulation, we found that the cavity effects can be partially recovered using a low index Teflon layer inserted between the ITO anode and the substrate due to the enhancement of the reflectance of the corrugated electrodes. To verify the simulation results, we fabricated corrugated OLEDs having a low-index Teflon interlayer with an EQE of 36%, which is 29% higher than an optimized planar OLED. By experimentally measuring the OLED air mode dispersion, we confirm the cavity emission of a corrugated OLED is enhanced by the low index layer.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Memory and CPU efficient coherent mode decomposition of partially coherent synchrotron radiation with subtraction of common quadratic phase terms

Application examples of a memory and CPU efficient coherent mode decomposition (CMD) method for wave-optics based simulation of the partially coherent undulator radiation propagation through a hard X-ray beamline in a 3rd generation synchrotron radiation source are presented. The high efficiency of the method is achieved thanks to the analytical treatment of the common quadratic phase terms that are developed in the phase of cross-spectral density (CSD) of partially coherent radiation at a distance from source. This treatment allows for a considerable, several orders of magnitude, reduction of the 4D CSD mesh density (and the memory occupied by the CSD) required for ensuring sufficient accuracies of wavefront propagation simulations with the modes produced by the CMD at a beamline entrance. This method, implemented in the “Synchrotron Radiation Workshop” open-source software, dramatically increases the feasibility of the CMD of 4D CSD for producing 2D coherent modes for a large variety of applications at storage rings and other types of radiation sources.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Data-driven learning of nonlocal models: from high-fidelity simulations to constitutive laws

We show that machine learning can improve the accuracy of simulations of stress waves in one-dimensional composite materials. We propose a data-driven technique to learn nonlocal constitutive laws for stress wave propagation models. The method is an optimization-based technique in which the nonlocal kernel function is approximated via Bernstein polynomials. The kernel, including both its functional form and parameters, is derived so that when used in a nonlocal solver, it generates solutions that closely match high-fidelity data. The optimal kernel therefore acts as a homogenized nonlocal continuum model that accurately reproduces wave motion in a smaller-scale, more detailed model that can include multiple materials. We apply this technique to wave propagation within a heterogeneous bar with a periodic microstructure. Several one-dimensional numerical tests illustrate the accuracy of our algorithm. The optimal kernel is demonstrated to reproduce high-fidelity data for a composite material in applications that are substantially different from the problems used as training data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Cooperation in Transmission Expansion Planning: Enhancing Grid Reliability and Efficiency Under a Changing Climate

Electricity grids are challenged to maintain reliability during more intense and frequent extreme weather events due to climate change. This challenge is exacerbated by multi-sector electrification and power sector decarbonization through increased reliance on variable renewable energy, which necessitates the expansion of transmission infrastructure. However, transmission expansion planning is often complicated by intertwined planning authorities and jurisdictions, and allocation of large capital investment needs. These factors cause authorities to manage transmission investments individually (i.e., only/mostly intraregional planning), which can lead to suboptimal transmission networks. This study investigates the potential benefits of cooperative transmission expansion planning (i.e., both intraregional and interregional planning that optimizes transmission investments across the entire physical system). Using sectoral and economic optimization, and machine learning models, it analyzes the impact of different levels of cooperation among transmission planning regions within U.S. Western Interconnection in 2019 and 2059 via an iterative investment process. Furthermore, it examines the effects of future climate change on transmission cooperation by simulating historical heat waves from 2019 under conditions of 2059. The results indicate that cooperative transmission planning leads to lower wholesale electricity prices, decreased energy outages, and reduced greenhouse gas emissions. However, the advantages of collaboration diminish during widespread heat waves, despite remaining beneficial especially for regions like California Independent System Operator with substantial solar installations. The study underscores the importance of transmission cooperation in reducing costs and enhancing reliability, emphasizing the need for strategic investments in storage to address challenges posed by future extreme weather events with varying spatial scales.

Capacity Expansion Model↗
NASA NTRS1984

Spectral methods for compressible flow problems

Recent results concerning numerical simulation of shock waves using spectral methods are reviewed. Shock fitting techniques were discussed as well as shock capturing techniques with finite difference artificial viscosity. Also the notion of the information contained in the numerical results obtained by spectral methods and show how this information is recovered was discussed.

Gottlieb, D.↗