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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Three Way Catalyst-Selective Catalytic Reduction Aftertreatment System Evaluation for a Lean Burn Gasoline Engine Operating in Homogenous Charge Compression Ignition, Spark-Assisted Compression Ignition, and Spark-Ignited Combustion Modes

Low temperature and dilute homogenous charge compression ignition (HCCI) and spark-assisted compression ignition (SACI) can improve fuel efficiency and reduce engine-out NO x emissions, especially during lean operation. However, under lean operation, these combustion modes are unable to achieve Environmental Protection Agency (EPA) Tier 3 emissions standards without the use of lean aftertreatment. The three way catalyst (TWC)-SCR lean aftertreatment concept investigated in this work uses periodic-rich operation to produce NH 3 over a TWC to be stored on a selective catalytic reduction (SCR) catalyst for NO x conversion during subsequent lean operation. Experiments were performed with a modified 2.0 L gasoline engine that was cycled between lean HCCI and rich SACI operation and between lean and rich spark-ignited (SI) combustion to evaluate NO x conversion and fuel efficiency benefits. Different lambda values during rich operation and different times held in rich operation were investigated. Results are compared to a baseline case in which the engine is always operated at stoichiometric conditions. SCR system calculations are also presented to allow for comparisons of system performance for different levels of stored NH 3 . With the configuration used in this study, lean/rich HCCI/SACI operation resulted in a maximum NO x conversion efficiency of only 10%, while lean/rich SI operation resulted in a maximum NO x conversion efficiency of 60%. If the low conversion efficiency of HCCI/SACI operation could be improved through higher brick temperatures or additional SCR bricks, calculations indicate that TWC-SCR aftertreatment has the potential to provide attractive fuel efficiency benefits and near-zero tailpipe NO x . Calculated potential fuel efficiency improvement relative to stoichiometric SI is 7–17% for lean/rich HCCI/SACI with zero tailpipe NO x and -1 to 5% for lean/rich SI with zero tailpipe NO x emissions. Although the previous work indicated that the use of HCCI/SACI increases the time for NH 3 to start forming over the TWC during rich operation, reduces NH 3 production over the TWC per fuel amount, and increases NH 3 slip over the SCR catalyst, if NO x conversion efficiency could be enhanced, improvements in fuel efficiency could be realized while meeting stringent tailpipe NO x standards.

Engineering↗
DOE OSTI2020

An Assessment of Homogeneous Mixture Method Cavitation Models in Predicting Cavitation in Nozzle Flow

The homogeneous mixture method (HMM) is a popular class of models used in the computational prediction of cavitation. Several cavitation models have been developed for use with HMM to govern the development and destruction of vapor in a fluid system. Two models credited to Kunz and Schnerr–Sauer are studied in this paper. The goal of this work is to provide an assessment of the two cavitation submodels in their ability to predict cavitation in nozzle flow. Validation data were obtained via experiments which employ both passive cavitation detection, (PCD) via acoustic sensing and optical cavitation detection (OCD) via camera imaging. The experiments provide quantitative information on cavitation inception and qualitative information on the vapor in the nozzle. The results show that initial vapor formation is not predicted precisely but within reason. A sensitivity analysis of the models to input parameters shows that the Schnerr–Sauer method does not depend upon the estimation of nuclei size and number density. Small changes in the vapor formation rate but not the total vapor volume can be seen when weighting parameters are modified. In contrast, changes to the input parameters for the Kunz model greatly change the final total vapor volume prediction. The assessment also highlights the influence of vapor convection within the method. Finally, the analysis shows that if the fluid and nozzle walls do not support nuclei larger than 40 μm, the methods would still predict cavitation when indeed there would be none in practice.

Engineering↗
DOE OSTI2016

SU-F-I-75: Half-Value Layer Thicknesses and Homogeneity Coefficients for Fluoroscopic X-Ray Beam Spectra Incorporating Spectral Filtration

Purpose: The purpose of this investigation is to quantify various first half-value-layers (HVLs), second HVLs and homogeneity coefficients (HCs) for a state-of-the-art fluoroscope utilizing spectral (copper) filtration. Methods: A Radcal (Monrovia, Ca) AccuPro dosimeter with a 10×6-6 calibrated ionization chamber was used to measure air kerma for radiographic x-ray exposures made on a Siemens (Erlangen, Germany) Artis ZeeGo fluoroscope operated in the service mode. The ionization chamber was centered in the x-ray beam at 72 cm from the focal spot with a source-to-image-distance of 120 cm. The collimators were introduced to limit the x-ray field to approximately 5 cm × 5 cm at the ionization chamber plane. Type-1100 aluminum filters, in 0.5 mm increments, were used to determine the HVL. Two HVL calculation methods were used, log-linear interpolation and Lambert-W interpolation as described by Mathieu [Med Phys, 38(8), 4546 (2011)]. Multiple measurements were made at 60, 80, 100, 120 kVp at spectral filtration thicknesses of 0, 0.1, 0.3, 0.6 and 0.9 mm. Results: First HVL, second HVL, and HCs are presented for the fluoroscopic x-ray beam spectra indicated above, with nearly identical results from the two interpolation methods. Accuracy of the set kVp was also determined and deviated less than 2%. First HVLs for fluoroscopic x-ray beam spectra without spectral filtration determined in our study were 7%–16% greater than previously published data by Fetterly et al. [Med Phys, 28, 205 (2001)]. However, the FDA minimum HVL requirements changed since that publication, requiring larger HVLs as of 2006. Additionally, x-ray tube and generator architecture have substantially changed over the last 15 years providing different beam spectra. Conclusion: X-ray beam quality characteristics for state-of-the-art fluoroscopes with spectral filtration have not been published. This study provides reference data which will be useful for defining beam qualities encountered on fluoroscopes using spectral filtration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Warming homogenizes apparent temperature sensitivity of ecosystem respiration

Warming-induced carbon loss through terrestrial ecosystem respiration (Re) is likely getting stronger in high latitudes and cold regions because of the more rapid warming and higher temperature sensitivity of Re (Q 10 ). However, it is not known whether the spatial relationship between Q 10 and temperature also holds temporally under a future warmer climate. Here, we analyzed apparent Q 10 values derived from multiyear observations at 74 FLUXNET sites spanning diverse climates and biomes. We found warming-induced decline in Q 10 is stronger at colder regions than other locations, which is consistent with a meta-analysis of 54 field warming experiments across the globe. We predict future warming will shrink the global variability of Q 10 values to an average of 1.44 across the globe under a high emission trajectory (RCP 8.5) by the end of the century. Therefore, warming-induced carbon loss may be less than previously assumed because of Q 10 homogenization in a warming world.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The seeds and homogeneous nucleation of photoinduced nonthermal melting in semiconductors due to self-amplified local dynamic instability

Laser-induced nonthermal melting in semiconductors has been studied over the past four decades, but the underlying mechanism is still under debate. Here, by using an advanced real-time time-dependent density functional theory simulation, we reveal that the photoexcitation-induced ultrafast nonthermal melting in silicon occurs via homogeneous nucleation with random seeds originating from a self-amplified local dynamic instability. Because of this local dynamic instability, any initial small random thermal displacements of atoms can be amplified by a charge transfer of photoexcited carriers, which, in turn, creates a local self-trapping center for the excited carriers and yields the random nucleation seeds. Because a sufficient amount of photoexcited hot carriers must be cooled down to band edges before participating in the self-amplification of local lattice distortions, the time needed for hot carrier cooling is the response for the longer melting time scales at shorter laser wavelengths. This finding provides fresh insights into photoinduced ultrafast nonthermal melting.

42 ENGINEERING↗
DOE OSTI2018

Heterogeneous to homogeneous melting transition visualized with ultrafast electron diffraction

The ultrafast laser excitation of matters leads to nonequilibrium states with complex solid-liquid phase-transition dynamics. In this paper, we used electron diffraction at mega–electron volt energies to visualize the ultrafast melting of gold on the atomic scale length. For energy densities approaching the irreversible melting regime, we first observed heterogeneous melting on time scales of 100 to 1000 picoseconds, transitioning to homogeneous melting that occurs catastrophically within 10 to 20 picoseconds at higher energy densities. We showed evidence for the heterogeneous coexistence of solid and liquid. We determined the ion and electron temperature evolution and found superheated conditions. Finally, our results constrain the electron-ion coupling rate, determine the Debye temperature, and reveal the melting sensitivity to nucleation seeds.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Determining Eigenfrequencies and Homogeneous Widths of Lines of Intermolecular Vibrations in Water and in Aqueous Solutions of Hydrogen Peroxide Using Raman Spectroscopy

We have examined low-frequency Raman spectra of intermolecular vibrations of weak aqueous solutions of hydrogen peroxide and water. The differences between the observed Raman frequencies and the data from the literature on the IR-absorption frequencies of the same vibrations, as well as the interrelations between the frequencies and the widths of Lorentzian contours that approximate the vibrational spectra of the dynamic susceptibility, have been discussed. Based on a model of free damped vibrations of a classical oscillator with an inhomogeneous broadening, we have explained these effects for the first time. The homogeneous line widths and the damping times of the observed intermolecular vibrations have been determined. The eigenfrequencies of these vibrations have been calculated, and they have been shown to agree well with the data from the literature on the frequencies of IR absorption of water. We have shown that these parameters of intermolecular vibrations for water and for aqueous solutions of hydrogen peroxide differ from each other.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

Dynamic Holography Method for Nondestructive Testing of Optical Homogeneity of Transparent Media

The potential of the dynamic holography method for testing the phase optical homogeneity of media transparent in visible light has been considered. This method is based on imaging samples in the scheme of two-wave mixing of the second-harmonic radiation of a Nd:YAG laser and image amplification in a photorefractive barium-strontium niobate crystal. Examples of identifying phase inhomogeneities at a level of 10{sup -5} cm{sup -1} and less in crystals of different compositions are presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Attractive Hubbard model: Homogeneous Ginzburg–Landau expansion and disorder

We derive a Ginzburg–Landau (GL) expansion in the disordered attractive Hubbard model within the combined Nozieres–Schmitt-Rink and DMFT+Σ approximation. Restricting ourselves to the homogeneous expansion, we analyze the disorder dependence of GL expansion coefficients for a wide range of attractive potentials U, from the weak BCS coupling region to the strong-coupling limit, where superconductivity is described by Bose–Einstein condensation (BEC) of preformed Cooper pairs. We show that for the a semielliptic “bare” density of states of the conduction band, the disorder influence on the GL coefficients A and B before quadratic and quartic terms of the order parameter, as well as on the specific heat discontinuity at the superconducting transition, is of a universal nature at any strength of the attractive interaction and is related only to the general widening of the conduction band by disorder. In general, disorder growth increases the values of the coefficients A and B, leading either to a suppression of the specific heat discontinuity (in the weak-coupling limit), or to its significant growth (in the strong-coupling region). However, this behavior actually confirms the validity of the generalized Anderson theorem, because the disorder dependence of the superconducting transition temperature T{sub c}, is also controlled only by disorder widening of the conduction band (density of states).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Homogeneous nucleation in liquid nitrogen at negative pressures

The kinetics of spontaneous cavitation in liquid nitrogen at positive and negative pressures has been studied in a tension wave formed by a compression pulse reflected from the liquid–vapor interface on a thin platinum wire heated by a current pulse. The limiting tensile stresses (Δp = p{sub s}–p, where p{sub s} is the saturation pressure), the corresponding bubble nucleation frequencies J (10{sup 20}–10{sup 22} s{sup –1} m{sup –3}), and temperature induced nucleation frequency growth rate G{sub T} = dlnJ/dT have been experimentally determined. At T = 90 K, the limiting tensile stress was Δp = 8.3 MPa, which was 4.9 MPa lower than the value corresponding to the boundary of thermodynamic stability of the liquid phase (spinodal). The measurement results were compared to classical (homogeneous) nucleation theory (CNT) with and without neglect of the dependence of the surface tension of critical bubbles on their dimensions. In the latter case, the properties of new phase nuclei were described in terms of the Van der Waals theory of capillarity. The experimental data agree well with the CNT theory when it takes into account the “size effect.”.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Plasmon analysis and homogenization in plane layered photonic crystals and hyperbolic metamaterials

Dispersion equations are obtained and analysis and homogenization are carried out in periodic and quasiperiodic plane layered structures consisting of alternating dielectric layers, metal and dielectric layers, as well as graphene sheets and dielectric (SiO{sub 2}) layers. Situations are considered when these structures acquire the properties of hyperbolic metamaterials (HMMs), i.e., materials the real parts of whose effective permittivity tensor have opposite signs. It is shown that the application of solely dielectric layers is more promising in the context of reducing losses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Electrodynamic response of charge carriers in doubly periodic semiconductor n-type superlattices in a permanent homogeneous magnetic field

The electromagnetic response of the two-dimensional electron gas of a surface superlattice placed in a perpendicular permanent homogeneous magnetic field is studied. The magneto–optic Kerr and Faraday effects are calculated. The conditions of transparency of model semiconductor structures in the terahertz frequency region are found and the field-induced spin density of the electronic states is calculated. The features of the frequency dependences of complex Kerr and Faraday angles are connected with the symmetry of the spinor states of the charge carriers in a superlattice.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Self-Organization of Phase Clusters in Homogeneously Disordered Polymer Composite Materials

The surface morphologies of homogeneously disordered polymer composite films and coatings prepared using mixtures of components with limited or negligible mutual solubility are studied by electron microscopy. We elaborate on the characteristic self-organization of phase clusters in our samples, in which one phase gives rise to the structural scaffold of the composite, an internal percolation cluster of particles. The cluster cavities filled with discrete particle aggregates of the other phase are characterized by a relatively narrow Gaussian-like size distribution. This topological structure arises if composites are prepared by observing specific concentration conditions or using structure modifiers that affect particle aggregation. Self-organization of phase clusters minimizes the entropy production when the components are mixed and gives rise to local ordering in spatial alternation of particle aggregates. The local order transforms into cellular disorder as the length scale increases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Influence of Local Correlations on the “Homogeneous Insulator–Superconductor” Transition in the Domain Boundaries of the Charge-Order Phase of a 2D System of a Mixed Valence

Abstract—It is demonstrated in the (pseudo)spin S = 1 formalism that the structure of antiphase domain boundaries in the phase of charge ordering of a mixed-valence system of the Cu{sup 1+, 2+, 3+} “triplet” type in cuprates on a two-dimensional square lattice depends to a considerable extent on on-site correlation parameter U. The results of computer modeling on large square lattices illustrate the change in the boundary structure (from a homogeneous monovalent nonconducting structure of the Cu{sup 2+} type to a filamentary superconducting one) induced by a relatively small variation of positive U values.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

The Low-Energy State of an Electron Beam in a Coaxial Diode with a Homogeneous Anode and Inhomogeneous Magnetic Field Profile

The possible formation of an extended low-energy state of electron beam in a coaxial diode with homogeneous cylindrical anode and moderate magnetic field with inhomogeneous profile is demonstrated for the first time. It is established that, depending on the magnetic field configuration, virtual cathodes (VCs) of two types can be formed: (i) a stationary VC with a localized reflection plane and (ii) a moving VC with a two-stream low-energy state of the electron beam.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Asymptotic Relaxation of Moment Equations for a Multi-species, Homogeneous BGK Model

Multi-species BGK models describe the dynamics of rarefied gases with constituent particles of different elements or compounds with potentially nontrivial velocity distributions. Here, in this paper, moment equations for the bulk velocities, energies, and temperatures of a spatially homogeneous multi-species BGK model are examined. A key challenge in analyzing these equations is the fact that the collision frequencies are allowed to depend on the species temperatures, which allows for more realistic simulations of dilute gas flow. Therefore, a positive lower bound is established for the species temperatures. With this lower bound, a global existence and uniqueness of solutions to the coupled velocity-energy ODE system is established. The lower bound also enables a proof of exponential decay to a unique steady-state solution. Numerical results are presented to demonstrate how the bulk velocities and temperatures relax for large times.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Homogenizing OSG and XSEDE: Providing Access to XSEDE Allocations through OSG Infrastructure

We present a system that allows individual researchers and virtual organizations (VOs) to access allocations on Stampede2 and Bridges through the Open Science Grid (OSG), a national grid infrastructure for running high throughput computing (HTC) tasks. Using this system, VOs and researchers are able to run larger workflows than can be done with OSG resources alone. This system allows a VO or user to run on XSEDE resources (with their allocation) using the same framework used with OSG resources. The system consists of two parts: the compute element (CE) that routes workloads to the appropriate user accounts and allocation on XSEDE resources, and simulated access to the CernVM Filesystem (CVMFS) servers used by OSG and VOs to distribute software and data. This allows jobs submitted through this system to work on a homogeneous environment regardless of whether they run on XSEDE HPC resources (like Stampede2 and Bridges) or OSG.

Thapa, Thapa,Suchandra↗
DOE OSTI2025

A Diffuse-Interface Model for Predicting the Evolution of Metallic Negative Electrodes and Interfacial Voids in Solid-State Batteries with Homogeneous and Polycrystalline Solid Electrolyte Separators

Here, this paper presents a novel diffuse-interface electrochemical model that simultaneously simulates the evolution of the metallic negative electrode and interfacial voids during the stripping and plating processes in solid-state batteries. The utility and validity of this model are demonstrated for the first time on a cell with a sodium (Na) negative electrode and a Na-β″-alumina ceramic solid electrolyte (SE) separator. Three examples are simulated. First, stripping and plating with a perfect electrode/electrolyte interface; second, stripping and plating with a single interfacial void at the electrode/electrolyte interface; third, stripping with multiple interfacial voids. Both homogeneous and polycrystalline SEs with low and high-conductivity grain boundaries (GBs) are considered for all three examples. Heterogeneous GB conductivity marginally impacts the thickness of the Na electrode in cases with a perfect electrode/electrolyte interface. Moreover, it results in local changes to void growth due to the interactions between the void edge and the GBs. The void growth rate is a linear function of the flux of Na atoms at the void edge, which in turn depends on the applied current density. We also show that the void coalescence rate increases with applied current density and can be marginally influenced by GB conductivity.

batteries↗