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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 649 records · Page 36

Enabling High-Temperature and High-Voltage Lithium-Ion Battery Performance through a Novel Cathode Surface-Targeted Additive

We report lithium-ion batteries (LIBs) are being used in locations and applications never imagined when they were first conceived. To enable this broad range of applications, it has become necessary for LIBs to be stable to an ever broader range of conditions, including temperature and energy. Unfortunately, while negative electrodes have received a great deal of focus in electrolyte development, stabilization of positive electrodes remains an elusive target. Here, we report a novel additive that shows the ability to protect positive electrodes against elevated temperatures and voltages. This additive can be used in small quantities, and its targeted behavior allows it to remain functional in complex electrolyte packages. This can prove an effective approach to targeting specific aspects of cell performance.

25 ENERGY STORAGE↗

Neutralization Short-Circuiting with Weak Electrolytes Erodes the Efficiency of Bipolar Membranes

Bipolar membranes (BPMs) are critical components of a variety of electrochemical energy technologies. Many electrochemical applications require the use of buffers to maintain stable, nonextreme pH environments, yet the impact of buffers or weak acids/bases on the electrochemical behavior of BPMs remains poorly understood. Here, our data for a cell containing weak electrolytes is consistent with internal pH gradients within the anion exchange membrane (AEM) or cation exchange membrane (CEM) component of the BPM that form via ionic short-circuiting processes at open-circuit. Short-circuiting results from the coupling of co-ion crossover and parasitic neutralization and leads to buffering of the bipolar interface. This phenomenon, which we term neutralization short-circuiting, serves to erode BPM efficiency by attenuating the open-circuit membrane voltage and introducing parasitic reverse bias currents associated with weak acid/base dissociation at the interface. These findings establish a mechanistic basis for the operation of BPM cells in the presence of weak acid/base electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Metal Identity and Coordination Environment Modulate Single-Atom Catalyst Stability During Electrocatalysis

A major hurdle to the implementation of single-atom catalysts (SACs) in real-world systems is a poor understanding of their stability under operating conditions, which is particularly relevant due to the high surface free energy of SACs. Here, we evaluated the aggregation behavior of a suite of SACs varied by metal identity (Fe, Co, Ni, and Cu) during electrocatalytic nitrate reduction using in situ X-ray absorption spectroscopy. The metal center had significant influence on reconstruction, where under identical applied reductive potentials, SACs underwent varying levels of reconstruction, ranging from no discernible change to complete reduction into metallic nanoparticles. Such in situ experiments revealed Cu SACs to be the most susceptible to aggregation, prompting a deeper investigation into how coordination environment (O-, B-, and N-graphene) affected Cu SAC aggregation. We further conducted density functional theory calculations to elucidate the relationship between Cu SAC structure and stability. This work deconvolutes the relationship between SAC architecture and stability, which is essential to evaluate and explain for the realization of SACs for electrocatalysis.

36 MATERIALS SCIENCE↗

Experimentally revealing anomalously large dipoles in the dielectric of a quantum circuit

Quantum two-level systems (TLSs) intrinsic to glasses induce decoherence in many modern quantum devices, such as superconducting qubits. Although the low-temperature physics of these TLSs is usually well-explained by a phenomenological standard tunneling model of independent TLSs, the nature of these TLSs, as well as their behavior out of equilibrium and at high energies above 1 K, remain inconclusive. Here we measure the non-equilibrium dielectric loss of TLSs in amorphous silicon using a superconducting resonator, where energies of TLSs are varied in time using a swept electric field. Our results show the existence of two distinct ensembles of TLSs, interacting weakly and strongly with phonons, where the latter also possesses anomalously large electric dipole moment. These results may shed new light on the low temperature characteristics of amorphous solids, and hold implications to experiments and applications in quantum devices using time-varying electric fields.

36 MATERIALS SCIENCE↗

Segregation of Al and its effect on coercivity in Nd-Fe-B

Doping a small amount of Al can effectively enhance coercivity in Nd-Fe-B magnets. Here we investigated the partitioning behavior of Al and its effect on coercivity in Nd-Fe-B using first principles DFT (density functional theory) calculation and micromagnetic simulation. The calculated substitution energies of Fe by Al are negative at the crystallographic sites of 4c and 8j 2 while they are positive values at the other sites in Nd 2 Fe 14 B (2:14:1), implying a small solubility of Al in 2:14:1. Further, Al prefers to segregate at grain boundary (GB) and stabilize the Nd-Fe-Al phase with a Nd 6 Fe 13 Si-type tetragonal structure (6:13:1). The formation of the antiferromagnetic or weak ferrimagnetic 6:13:1-like phase depletes Fe and reduces the amount of ferromagnetic Nd–Fe type grain boundary phase (GBP), which weakens the inter-grain magnetic interaction. Micromagnetic simulations indicate that the 6:13:1-like GBP increases the pinning field of magnetic domain wall at GB and suppresses the nucleation of reversal magnetic domain on the grain surface of 2:14:1 during demagnetization process. The formation of Al-rich shell on 2:14:1 grain surface can further moderately increase the domain pinning field at GB and the nucleation field of 2:14:1 grain. Developing novel processing method to tailor Al segregation and promote formation of 6:13:1-like phase at GB can be a promising approach to improve coercivity in Nd-Fe-B magnet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

$\mathcal{g}$ modes of neutron stars with hadron-to-quark crossover transitions

Here we perform the first study of the principal core g-mode oscillation in hybrid stars containing quark matter, utilizing a crossover model for the hadron-to-quark transition inspired by lattice QCD. The ensuing results are compared with our recent findings of g-mode frequencies in hybrid stars with a first-order phase transition using Gibbs constructions. We find that models using Gibbs construction yield g-mode amplitudes and the associated gravitational energy radiated that dominate over those of the chosen crossover model owing to the distinct behaviors of the equilibrium and adiabatic sound speeds in the various models. Based on our results, we conclude that were g modes to be detected in upgraded LIGO and Virgo detectors it would indicate a first-order phase transition akin to a Gibbs construction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The lifetime of ice particles in the solar system

The behavior of spherical water-ice particles in interplanetary space is investigated theoretically using an equation which gives the sublimation rate as a function of the solar energy distribution at 1 AU, solar distance, the temperature of the ice-particle surface, the temperature of the surrounding background, particle absorption efficiency, particle radius, and the complex refractive index of ice. The variation of sublimation rate with particle size is examined, and it is shown that the sublimation rate depends critically on the absorptivity of ice in the near-IR spectral region. Two different spectral-absorption curves are plotted on the basis of two different choices for the complex refractive index of ice, and an attempt is made to decide experimentally which energy distribution is more appropriate. Results of direct laboratory measurements of the sublimation rate of smooth spherical ice particles are compared with the theoretical results obtained from the cited sublimation-rate equation. Agreement between theory and experiment is found to be excellent when the complex refractive indices given by Bertie et al., (1969) are employed. Sublimation rates and particle lifetimes are then computed as a function of particle radius for heliocentric distances of 0.5, 0.75, and 1.0 AU.

Patashnick, H.↗

Tidal interactions between spherical galaxies

The impulse approximation and full N-body experiments are used to investigate the changes in mass and binding energy which result from gravitational encounters between spherical galaxies. Models with King (1966) and de Vaucouleurs (1948) surface density profiles, and radial, tangential, and isotropic velocity distributions. Results based on the impulse approximation depend on two collision parameters (the impact parameter and the ratio of the perturbing mass to the relative velocity at infinity); they agree well with N-body results. The asymptotic limit, valid for distant encounters, is found to approximate the correct results only for impact parameters larger than 10 effective radii. It is therefore of little use in most situations of interest. No simple 'linear' or 'quadratic' dependence of energy and mass loss on collision strength is found, but rather, a smooth intermediate behavior. Cross sections depend very little on the internal velocity structure of the galaxy, but quite strongly on the surface density profile in its outer parts. The reasons why these results disagree with the conclusions of previous workers are discussed.

Aguilar, L. A.↗

A Theoretical Study of Propagation and Extinction of Nonsteady Spherical Flame Fronts

Freely propagating expanding spherical flame fronts are studied analytically using the method of activation energy asymptotics. Effects of Lewis number (Le), curvature, heat loss, and thermal expansion on propagation rates and extinction conditions are examined. The behavior of spherical flame fronts is found to be determined primarily by the values of Le and a heat-loss parameter. Results are compared to recent experimental observations of spherical flame fronts in mixtures near the flammability limits; for Le less than 1, it is found that many of the features of these experimental results are described by the analysis presented here. For Le greater than 1, however, unrealistic dynamic behavior is predicted due to the nature of diffusive-thermal instabilities under these conditions.

Ronney, P. D.↗

Thermal buckling and post-buckling of symmetric composite plates

The thermally induced buckling and postbuckling behavior of square and rectangular simply supported composite plates is examined using the Rayleigh-Ritz method in conjunction with the second variations of the total potential energy. Spatially uniform and nonuniform temperatures and laminates with material axes that are not aligned with the plate edges (skewed material axes) are considered. Results of the analysis are presented in graphic form.

Meyers, C. A.↗

Analysis of Curved Sandwich Panels Subjected to Combined Temperature Gradient and Mechanical Loads

The results of a detailed study of the nonlinear response of curved sandwich panels with composite face sheets and subjected to a temperature gradient through-the-thickness combined with mechanical loadings are presented. The analysis is based on a first-order shear-deformation Sanders-Budiansky type theory with the effects of large displacements, moderate rotations, transverse shear deformation and laminated anisotropic material behavior included. A mixed formulation is used with the fundamental unknowns consisting of the generalized displacements and the stress resultants of the panel. The nonlinear displacements, strain energy, principal strains, transverse shear stresses, transverse shear strain energy density, and their hierarchical sensitivity coefficients are evaluated. The hierarchical sensitivity coefficients measure the sensitivity of the nonlinear response to variations in the panel parameters, the effective properties of the face sheet layers and the core, and the micromechanical parameters. Numerical results are presented for cylindrical panels subjected to combined pressure loading, edge shortening or extension, edge shear and a temperature gradient through the thickness. The results show the effects of variations in the loading and the panel aspect ratio, on the nonlinear response and its sensitivity to changes in the various panel, effective layer and micromechanical parameters.

Noor, Ahmed K.↗

Analysis of Composite Panels Subjected to Thermo-Mechanical Loads

The results of a detailed study of the effect of cutout on the nonlinear response of curved unstiffened panels are presented. The panels are subjected to combined temperature gradient through-the-thickness combined with pressure loading and edge shortening or edge shear. The analysis is based on a first-order, shear deformation, Sanders-Budiansky-type shell theory with the effects of large displacements, moderate rotations, transverse shear deformation, and laminated anisotropic material behavior included. A mixed formulation is used with the fundamental unknowns consisting of the generalized displacements and the stress resultants of the panel. The nonlinear displacements, strain energy, principal strains, transverse shear stresses, transverse shear strain energy density, and their hierarchical sensitivity coefficients are evaluated. The hierarchical sensitivity coefficients measure the sensitivity of the nonlinear response to variations in the panel parameters, as well as in the material properties of the individual layers. Numerical results are presented for cylindrical panels and show the effects of variations in the loading and the size of the cutout on the global and local response quantities as well as their sensitivity to changes in the various panel, layer, and micromechanical parameters.

Noor, Ahmed K.↗

Emerging Plug Load Management Technologies that Save Energy and Time

This fact sheet introduces two emerging technologies that could streamline plug load management (PLM) for increased energy savings for building owners: learning behavior algorithms (LBA) and automatic and dynamic load detection (ADLD). Plug loads are responsible for 47% of the energy consumed in commercial buildings, yet their distributed and ever-changing nature makes them challenging to manage. PLM systems exist today that use smart plugs to meter and control devices at the outlet level, but their uptake has been relatively slow in part because of the significant labor required for installation and maintenance. LBA and ADLD may address these challenges and provide additional energy efficiency and nonenergy benefits.

Plug and process loads, PPL, plug loads, plug load↗

Exploring Microsimulation Process for Energy Impact Evaluation of Connected and Automated Vehicles

In this paper, the authors present a microsimulation-based methodological approach for evaluating the energy impact of connected and automated vehicles (CAVs). They use an open-source micro-simulator, SUMO, and provide a way to set up a simulation environment that emulates real-world traffic dynamics. They also employ the Intelligent Driver Model to represent human drivers and calibrate its driving behavior using real-world traffic data and driving statistics. The authors conduct extensive simulation studies considering different penetration rates of CAVs, different car-following models, and varying car-following model parameters. Using the state-of-the-art Future Automotive System Technology Simulator (FASTSim), they estimate the fuel economy of each vehicle and analyze the energy impact of the given CAV implementation. Finally, the authors analyze the possible factors affecting the simulation results, and also discuss limitations and future work.

ADVANCED PROPULSION SYSTEMS↗

Impact of size and thermal gradient on supercooling of phase change materials for thermal energy storage

Phase change material based thermal energy storage has many current and potential applications in the heating and cooling of buildings, battery and electronics thermal management, thermal textiles, and dry cooling of power plants. However, connecting lab scale thermal data obtained with differential scanning calorimetry (DSC) to the performance of large-scale practical systems has been a major challenge primarily due to the dependence of supercooling on the size and temperature gradient of the system. Here we show how a phase change material’s supercooling behavior can be characterized experimentally using common lab scale thermal analysis techniques. We then develop a statistics based theoretical model that uses the lab-scale data on small samples to quantitatively predict the supercooling performance for a general thermal energy storage application of any size, including also allowing for the possibility of temperature gradients. Finally, we validate the modeling methodology by comparing to experimental results for solid-solid phase change in neopentyl glycol, which shows how the model successfully predicts the changes in supercooling temperature across a large range of cooling rates (2 orders of magnitude) and volumes (3 orders of magnitude). By accounting for thermal gradients, the model avoids ~2x error incurred by lumped approximations.

36 MATERIALS SCIENCE↗

A Hybrid Transfer Function Procedure for Broadband Auralization Within Small Flight Vehicle Interiors

Auralization of the sound fields within flight vehicle interiors is of interest to aircraft designers considering crew and passenger ride quality. Computer models can be used to predict the filtering effects that the fuselage structure and interior volume have on the exterior sound field in order to simulate the resulting cabin interior noise. However, this can become expensive when a wide frequency range of analysis suitable for passenger auralization is desired. This is particularly the case when using deterministic modeling methods such as finite element analysis (FEA) wherein prohibitively high levels of detail and finite element discretizations are required to resolve the wavelengths at high frequencies. On the contrary, Statistical Energy Analysis (SEA), while not capturing important modal behaviors at low frequencies, is better suited for higher frequency analyses where structural and interior dynamics exhibit high modal overlap and spatially averaged physical quantities suffice. For this reason, a hybrid procedure is considered here that utilizes FE modal solutions at lower frequencies and SEA results at higher frequencies. A transfer function dataset containing the exterior to interior vibroacoustic filtering effect is calculated accordingly and subsequently stored to be used for a variety of exterior dynamic load cases. At low frequencies, the transfer function dataset detail is related to the level of FE model refinement whereas at high frequencies it functions as an equalizer array with a level of detail corresponding to the SEA subsystem partitioning scheme. The above procedure is described herein and demonstrated on a six passenger flight vehicle with eight propulsors in a hover flight condition.

auralization↗

A Hybrid Transfer Function Procedure for Broadband Auralization Within Small Flight Vehicle Interiors

Auralization of the sound fields within flight vehicle interiors is of interest to aircraft designers considering crew and passenger ride quality. Computer models can be used to predict the filtering effects that the fuselage structure and interior volume have on the exterior sound field in order to simulate the resulting cabin interior noise. However, this can become expensive when a wide frequency range of analysis suitable for passenger auralization is desired. This is particularly the case when using deterministic modeling methods such as finite element analysis (FEA) wherein prohibitively high levels of detail and finite element discretizations are required to resolve the wavelengths at high frequencies. On the contrary, Statistical Energy Analysis (SEA), while not capturing important modal behaviors at low frequencies, is better suited for higher frequency analyses where structural and interior dynamics exhibit high modal overlap and spatially averaged physical quantities suffice. For this reason, a hybrid procedure is considered here that utilizes FE modal solutions at lower frequencies and SEA results at higher frequencies. A transfer function dataset containing the exterior to interior vibroacoustic filtering effect is calculated accordingly and subsequently stored to be used for a variety of exterior dynamic load cases. At low frequencies, the transfer function dataset detail is related to the level of FE model refinement whereas at high frequencies it functions as an equalizer array with a level of detail corresponding to the SEA subsystem partitioning scheme. The above procedure is described herein and demonstrated on a six passenger flight vehicle with eight propulsors in a hover flight condition.

auralization↗

Approximate constants of motion for classically chaotic vibrational dynamics - Vague tori, semiclassical quantization, and classical intramolecular energy flow

Substantial short time regularity, even in the chaotic regions of phase space, is found for what is seen as a large class of systems. This regularity manifests itself through the behavior of approximate constants of motion calculated by Pade summation of the Birkhoff-Gustavson normal form expansion; it is attributed to remnants of destroyed invariant tori in phase space. The remnant torus-like manifold structures are used to justify Einstein-Brillouin-Keller semiclassical quantization procedures for obtaining quantum energy levels, even in the absence of complete tori. They also provide a theoretical basis for the calculation of rate constants for intramolecular mode-mode energy transfer. These results are illustrated by means of a thorough analysis of the Henon-Heiles oscillator problem. Possible generality of the analysis is demonstrated by brief consideration of classical dynamics for the Barbanis Hamiltonian, Zeeman effect in hydrogen and recent results of Wolf and Hase (1980) for the H-C-C fragment.

Shirts, R. B.↗