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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Local Chemical Strain in PtFe Alloy Nanoparticles

Precise deciphering of the atomic-insight chemical strain and distribution in nanosolids, especially in nanoalloys with disordered structure, is significant to correlate the structure and chemical properties. In this report, we found an abnormally enhanced negative thermal expansion (NTE) along the c axis in a 3.5 nm PtFe magnetic L1 0 alloy, which was usually weakened by the reduced contribution of invar behavior in a nanosized magnetic material. 57 Fe Mössbauer spectra and extended X-ray absorption fine structure studies indicated the local disordered state of chemical coordination of the L1 0 phase. Pair distribution function and reverse Monte Carlo simulation revealed a surface A1-phase coating and atomic-level stretching chemical strain on the heteroatomic pair along the c axis. Local tensile chemical strain and increasing magnetic moments of Fe atoms on the surface of the L1 0 core made a dominant contribution to the enhanced NTE behavior. Furthermore, the present work brings an atomic reveal for the local chemical strain in bimetallic nanomaterials and provides an innovative perspective to tailoring the functional properties according to the local chemical environment.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Investigating the source of near-relativistic and relativistic electrons in Earth's inner radiation belt

Using observations from NASA's Van Allen Probes, we study the role of sudden particle enhancements at low L shells (SPELLS) as a source of inner radiation belt electrons. SPELLS events are characterized by electron intensity enhancements of approximately an order of magnitude or more in less than 1 day at L < 3. During quiet and average geomagnetic conditions, the phase space density radial distributions for fixed first and second adiabatic invariants are peaked at 2 < L < 3 for electrons ranging in energy from ~50 keV to ~1 MeV, indicating that slow inward radial diffusion is not the dominant source of inner belt electrons under quiet/average conditions. During SPELLS events, the evolution of electron distributions reveals an enhancement of phase space density that can exceed 3 orders of magnitude in the slot region and continues into the inner radiation belt, which is evidence that these events are an important—and potentially dominant—source of inner belt electrons. Electron fluxes from September 2012 through February 2016 reveal that SPELLS occur frequently (~2.5/month at 200 keV), but the number of observed events decreases exponentially with increasing electron energy for ≥100 keV. After SPELLS events, the slot region reforms due to slow energy-dependent decay over several day time scales, consistent with losses due to interactions with plasmaspheric hiss. Altogether, these results indicate that the peaked phase space density distributions in the inner electron radiation belt result from an “on/off,” geomagnetic-activity-dependent source from higher radial distances.

58 GEOSCIENCES↗
DOE OSTI2022

Unravelling the Nature of the Intrinsic Complex Structure of Binary‐Phase Na‐Layered Oxides

Abstract The layered sodium transition metal oxide, NaTMO 2 (TM = transition metal), with a binary or ternary phases has displayed outstanding electrochemical performance as a new class of strategy cathode materials for sodium‐ion batteries (SIBs). Herein, an in‐depth phase analysis of developed Na 1− x TMO 2 cathode materials, Na 0.76 Ni 0.20 Fe 0.40 Mn 0.40 O 2 with P2‐ and O3‐type phases (NFMO‐P2/O3) is offered. Structural visualization on an atomic scale is also provided and the following findings are unveiled: i) the existence of a mixed‐phase intergrowth layer distribution and unequal distribution of P2 and O3 phases along two different crystal plane indices and ii) a complete reversible charge/discharge process for the initial two cycles that displays a simple phase transformation, which is unprecedented. Moreover, first‐principles calculations support the evidence of the formation of a binary NFMO‐P2/O3 compound, over the proposed hypothetical monophasic structures (O3, P3, O′3, and P2 phases). As a result, the synergetic effect of the simultaneous existence of P‐ and O‐type phases with their unique structures allows an extraordinary level of capacity retention in a wide range of voltage (1.5–4.5 V). It is believed that the insightful understanding of the proposed materials can introduce new perspectives for the development of high‐voltage cathode materials for SIBs.

Paidi, Anil K.↗
DOE OSTI2017

Hydrate Formation in an Unsaturated System - Impacts of Fine Particles and Water Content

Parametric study of hydrate saturation dependent properties of hydrate-bearing sediments requires a large amount of uniform and representative specimens. Expedited synthetization of hydrate-bearing sediments in the laboratory usually uses an unsaturated system due to low methane solubility in water. This study experimentally investigates how various factors affect the distribution of formed hydrate in the sediments via X-ray computed tomography. Results show that the pressure-temperature history is the most critical factor influencing water migration during hydrate formation. Hydrate formed by cooling-pressurization method tends to lead to preferred hydrate formation at core boundaries where exothermic heat can be easily dissipated. The presence of fine-grained particles fails to mitigate this phenomenon, but can effectively suppress water migration even when hydrate is formed using the pressurization-cooling method or the freezing-pressurization-thawing method. Fine-grained particles reduce water activity which further reduce the amount of hydrate formed in the system. The mixing sequence of sand-clay-water mixture affects the final morphology and distribution of each phase and eventually affects hydrate distribution in the sediments. A small amount of clay in sands can suppress water preferentially residing at grain contacts and combine with water acting as a pore filling component. This potentially helps synthesize non-cementing hydrate-bearing sediments in the laboratory more efficiently.

Lei, Liang↗
NASA NTRS2005

Ultrasonic Guided-Wave-Scan System Used to Characterize C-Enhanced Silicon Carbide Composite During Creep- Rupture Tests

Ceramic matrix composites (CMCs) are being developed for advanced aerospace propulsion applications in order to save weight, improve reuse capability, and increase performance. However, mechanical and environmental loads applied to CMCs can cause degradation in the form of discrete flaws and distributed microdamage that can play a significant role in reducing desirable physical properties. Categories of microdamage include fiber/matrix debonding (interface failure), matrix microcracking, fiber fracture and buckling, oxidation, and second-phase formation. Distributed microdamage in CMCs has proven difficult to characterize nondestructively because of the complex microstructure and macrostructure of these materials, and a recent study regarding the durability of a ceramic matrix composite discussed the requirement for improved nondestructive evaluation (NDE) methods for monitoring degradation in these materials.

Roth, Don J.↗
DOE OSTI2014

Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method

The generalized Replica Exchange Method (gREM) was applied to study a solid-liquid phase transition in a nanoconfined bilayer water system using the monatomic water (mW) model. Exploiting optimally designed non-Boltzmann sampling weights with replica exchanges, gREM enables an effective sampling of configurations that are metastable or unstable in the canonical ensemble via successive unimodal energy distributions across phase transition regions, often characterized by S-loop or backbending in the statistical temperature. Extensive gREM simulations combined with Statistical Temperature Weighted Histogram Analysis Method (ST-WHAM) for nanoconfined mW water at various densities provide a comprehensive characterization of diverse thermodynamic and structural properties intrinsic to phase transitions. Graph representation of minimized structures of bilayer water systems determined by the basin-hopping global optimization revealed heterogeneous ice structures composed of pentagons, hexagons, and heptagons, consistent with an increasingly ordered solid phase with decreasing density. Apparent crossover from a first-order solid-liquid transition to a continuous one in nanoconfined mW water with increasing density of the system was observed in terms of a diminishing S-loop in the statistical temperature, smooth variation of internal energies and heat capacities, and a characteristic variation of lateral radial distribution functions, and transverse density profiles across transition regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Effect of EMIC Wave Normal Angle Distribution on Relativistic Electron Scattering Based on the Newly Developed Self-consistent RC/EMIC Waves Model by Khazanov et al. [2006]

It is well known that the effects of EMIC waves on RC ion and RB electron dynamics strongly depend on such particle/wave characteristics as the phase-space distribution function, frequency, wave-normal angle, wave energy, and the form of wave spectral energy density. Therefore, realistic characteristics of EMIC waves should be properly determined by modeling the RC-EMIC waves evolution self-consistently. Such a selfconsistent model progressively has been developing by Khaznnov et al. [2002-2006]. It solves a system of two coupled kinetic equations: one equation describes the RC ion dynamics and another equation describes the energy density evolution of EMIC waves. Using this model, we present the effectiveness of relativistic electron scattering and compare our results with previous work in this area of research.

Khazanov, G. V.↗
DOE OSTI2020

Adaptive model tuning studies for non-invasive diagnostics and feedback control of plasma wakefield acceleration at FACET-II

Beam-driven plasma wakefield acceleration (PWFA) achieves the same energy gain in a single meter, for which conventional accelerators require several kilometers, however much work is still required to match the beam quality of conventional accelerators. The PWFA processes to be studied at the FACET-II facility will utilize extremely short (down to a few fs) high energy (10 GeV), high charge (few nC) electron and eventually positron bunches. The PWFA process is extremely sensitive to the detailed longitudinal current profiles of these bunches and it would be of great benefit to have precise measurement and control of these profiles. We present an adaptive model tuning technique for FACET-II to adaptively tune online models based on real time accelerator and beam data to continuously provide a non-invasive diagnostic which predicts the longitudinal phase space (LPS) of extremely short and highly compressed electron beams, which otherwise require destructive X-band transverse deflecting cavity (XTCAV)-based measurements. Based on simulation studies, our method has the potential for: (1). The development of a non-invasive longitudinal phase space diagnostic by adaptively tuning models based on non-invasive measurements such as energy spread spectra which could be recorded at all of the bunch compressors in the facility. (2). Utilize these diagnostic to perform model-independent feedback-based to achieve desired longitudinal phase space distributions. (3). Utilize the model-independent feedback approach to maximize energy gain while minimizing emittance growth and energy gain variance of the PWFA process by tuning accelerator parameters, while monitoring what longitudinal phase space the algorithm has found, information that will be useful for further analytical and simulation studies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

An Asynchronous Real-time Co-simulation Platform for Modeling Interaction between Microgrids and Power Distribution Systems

This paper presents the modeling framework of an asynchronous, real-time co-simulation platform for modeling the interactions between microgrids and power distribution systems. Components of each microgrid are simulated on the OPAL-RT eMEGASIM platform so that electromagnetic transients of the inverter units are modeled at a time step of 100 microseconds. The 3-phase unbalanced distribution feeder that microgrids are connected to is simulated by using the OPAL-RT ePHASORSIM so that load transients, capacitor switching, and tap-changing events can be modeled. A MATLAB-based microgrid controller will interface controllable microgrid components through the Modbus communication. This co-simulation framework allows different microgrid controller logic to be developed and tested on a hardware-in-the-loop testbed considering both the inverter-level transient and the dynamic response of loads and utility equipment. Because the controller communicates with controllable devices via actual communication links, the impact of communication errors, delays, or denial-of-service can also be properly quantified.

Xie, Fuhong↗
DOE OSTI2016

Advanced Energy Storage Management in Distribution Network

With increasing penetration of distributed generation (DG) in the distribution networks (DN), the secure and optimal operation of DN has become an important concern. In this paper, an iterative mixed integer quadratic constrained quadratic programming model to optimize the operation of a three phase unbalanced distribution system with high penetration of Photovoltaic (PV) panels, DG and energy storage (ES) is developed. The proposed model minimizes not only the operating cost, including fuel cost and purchasing cost, but also voltage deviations and power loss. The optimization model is based on the linearized sensitivity coefficients between state variables (e.g., node voltages) and control variables (e.g., real and reactive power injections of DG and ES). To avoid slow convergence when close to the optimum, a golden search method is introduced to control the step size and accelerate the convergence. The proposed algorithm is demonstrated on modified IEEE 13 nodes test feeders with multiple PV panels, DG and ES. Numerical simulation results validate the proposed algorithm. Various scenarios of system configuration are studied and some critical findings are concluded.

linearization↗
DOE OSTI2016

INTERSTELLAR PICKUP ION PRODUCTION IN THE GLOBAL HELIOSPHERE AND HELIOSHEATH

Interstellar pickup ions (PUIs) play a significant part in mediating the solar wind (SW) interaction with the interstellar medium. In this paper, we examine the details of spatial variation of the PUI velocity distribution function (VDF) in the SW by solving the PUI transport equation. We assume the PUI distribution is isotropic resulting from strong pitch-angle scattering by wave–particle interaction. A three-dimensional model combining the MHD treatment of the background SW and neutrals with a kinetic treatment of PUIs throughout the heliosphere and the surrounding local interstellar medium has been developed. The model generates PUI power-law tails via second-order Fermi process. We analyze how PUIs transform across the heliospheric termination shock and obtain the PUI phase space distribution in the inner heliosheath including continuing velocity diffusion. Our simulated PUI spectra are compared with observations made by New Horizons , Ulysses , Voyager 1, 2 , and Cassini , and a satisfactory agreement is demonstrated. Some specific features in the observations, for example, a cutoff of PUI VDF at v = V {sub SW} and a f ∝ v {sup -5} tail in the reference frame of the SW, are well represented by the model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Pressure distribution based optimization of phase-coded acoustical vortices

Based on the acoustic radiation of point source, the physical mechanism of phase-coded acoustical vortices is investigated with formulae derivations of acoustic pressure and vibration velocity. Various factors that affect the optimization of acoustical vortices are analyzed. Numerical simulations of the axial, radial, and circular pressure distributions are performed with different source numbers, frequencies, and axial distances. The results prove that the acoustic pressure of acoustical vortices is linearly proportional to the source number, and lower fluctuations of circular pressure distributions can be produced for more sources. With the increase of source frequency, the acoustic pressure of acoustical vortices increases accordingly with decreased vortex radius. Meanwhile, increased vortex radius with reduced acoustic pressure is also achieved for longer axial distance. With the 6-source experimental system, circular and radial pressure distributions at various frequencies and axial distances have been measured, which have good agreements with the results of numerical simulations. The favorable results of acoustic pressure distributions provide theoretical basis for further studies of acoustical vortices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Enhanced magnetic behavior, exchange bias effect, and dielectric property of BiFeO{sub 3} incorporated in (BiFeO{sub 3}){sub 0.50} (Co{sub 0.4}Zn{sub 0.4}Cu{sub 0.2} Fe{sub 2}O{sub 4}){sub 0.5} nanocomposite

Nanoparticles of BiFeO{sub 3} (BFO) are incorporated in the nanocomposite of (BiFeO{sub 3}){sub 0.50} (Co{sub 0.4}Zn{sub 0.4}Cu{sub 0.2} Fe{sub 2}O{sub 4}){sub 0.5}, (BFO-CZCF) and these are prepared by chemical route. The formation of pure crystallographic phase of each component (BFO and CZCF) in the nanocomposite of BFO-CZCF has been confirmed by Rietveld analysis of the X-ray diffractograms using FULLPROF program. Morphology, average particle size and its distribution, crystallographic phase etc. are obtained from the high-resolution transmission electron microscopy of BFO-CZCF. Magnetic measurements of BFO-CZCF have been carried out to explore the modulation of magnetic behavior of BFO in BFO-CZCF. Interestingly, magnetization of BFO-CZCF has been drastically enhanced compared to that of the pristine BFO. An exchange bias effect is also observed in the M vs. H loops of BFO-CZCF recorded in field cooled and zero field cooled conditions, which suggest that nanoparticles of BFO (AFM) are encapsulated by nanoparticles of CZCF (FM) in BFO-CZCF. Thermal variation of dielectric constant of BFO-CZCF is recorded in the range of 300 to 1073 K and a ferroelectric to paraelectric transition is observed at ∼728 K. Enhanced magnetic property of BFO would quite interesting for this important multiferroic.

36 MATERIALS SCIENCE↗
DOE OSTI2015

TU-E-213-03: Tools for Ensuring Quality and Safety

Purpose: To develop the first 4D robust optimization (RO) method accounting for respiratory motion and evaluate its potential to improve plan robustness and optimality compared to 3D RO and PTV-based optimization. Methods: A set of 4D CT images are used to track respiratory motion and deformation of tumors and organs. For each of 10 respiration phases, dose distributions for nine different uncertainty scenarios including the nominal one, those incorporating ±5mm setup uncertainties long x, y and z directions and ±3.5% range uncertainties are calculated. All 90 dose distributions are simultaneously optimized to achieve full dose coverage of 10 CTVs and sparing of normal structures. ITV-based 3D RO and PTV-based optimization based on the average CT are also carried for the same patient using same dose volume constrains. After optimization, 4D robustness evaluation was performed for all resulting plans. The CTV coverage and the sparing of normal tissue in 10 phases are evaluated and compared among the three methods. The widths of DVH bands represent the robustness of dose distributions in the structures. Results: For one patient studied so far, the worst case CTV coverage by the prescription dose among all 90 scenarios is: 99% for 4D RO; 88.9% for 3D RO, and 85.2% for PTV based optimization. 4D RO also results in best robustness with the narrowest DVH’ bandwidths for the CTV. 4D and 3D RO have similar organ sparing while PTV based optimization results in worst organ sparing. Conclusion: 4D robust optimization which accounts for anatomy motion and deformation in the optimization process, significantly improves plan robustness and achieves higher quality treatment plans for lung cancer patients. The method is being evaluated for multiple patients with different tumor and motion characteristics.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Computing Eigen-Emittances from Tracking Data

In a strongly nonlinear system the particle distribution in the phase space may develop long tails which contribution to the covariance (sigma) matrix should be suppressed for a correct estimate of the beam emittance. A method is offered based on Gaussian approximation of the original particle distribution in the phase space (Klimontovich distribution) which leads to an equation for the sigma matrix which provides efficient suppression of the tails and cannot be obtained by introducing weights. This equation is easily solved by iterations in the multi-dimensional case. It is also shown how the eigen-emittances and coupled optics functions can be retrieved from the sigma matrix in a strongly coupled system. Finally, the developed algorithm is applied to 6D ionization cooling of muons in HFOFO channel.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Numerical investigation and experimental validation of water condensation in the gas diffusion layer with different properties

Liquid water in porous media hinders the transport of reactant to catalyst layer, where the electrochemical reactions occur, which in turn, reduces performance and lifetime of a proton exchange membrane fuel cell (PEMFC). In this study, two types of gas diffusion layer (GDL) materials are used to study the two-phase saturation distribution in a PEMFC. The correlations between the effective and anisotropic transport properties and porosity of the two GDLs are solved by the pore scale model. In addition, the anisotropic liquid water permeability and the relationship between saturation pressure and capillary pressure is determined by using the Lattice-Boltzmann method. Fuel cell performance as well as liquid water distribution in the GDL using neutron radiography are obtained for validation. Under wet conditions, the cell with Freudenberg GDL performs better than that using Toray GDL, especially at high current densities. The results of the two-phase model simulation show that the peak water saturation for Toray GDL occurs in the catalyst layer and can reach 40%, while the peak water saturation for Freudenberg GDL occurs inside the GDL directly under the ribs and only reaches 25% saturation. The combined results provide key insights to enable high power density operation of a PEMFC through GDL material optimization.

42 ENGINEERING↗
NASA NTRS1993

Analysis of IUE observations of hydrogen in comets

The large body of hydrogen Lyman-alpha observations of cometary comae obtained with the International Ultraviolet Explorer satellite has gone generally unanalyzed because of two main modeling complications. First, the inner comae of many bright (gas productive) comets are often optically thick to solar Lyman-alpha radiation. Second, even in the case of a small comet (low gas production) the large IUE aperture is quite small as compared with the immense size of the hydrogen coma, so an accurate model which properly accounts for the spatial distribution of the coma is required to invert the inferred brightnesses to column densities and finally to H atom production rates. Our Monte Carlo particle trajectory model (MPTM), which for the first time provides the realistic full phase space distribution of H atoms throughout the coma was used as the basis for the analysis of IUE observations of the inner coma. The MCPTM includes the effects of the vectorial ejection of the H atoms upon dissociation of their parent species (H2O and OH) and of their partial collisional thermalization. Both of these effects are crucial to characterize the velocity distribution of the H atoms. A new spherical radiative transfer calculation based on our MCPTM was developed to analyze IUE observations of optically thick H comae. The models were applied to observations of comets P/Giacobini-Zinner and P/Halley.

Combi, Michael R.↗
NASA NTRS1998

Analysis of IUE Observations of Hydrogen in Comets

The 15-years worth of hydrogen Lyman-alpha observations of cometary comae obtained with the International Ultraviolet Explorer (IUE) satellite had gone generally unanalyzed because of two main modeling complications. First, the inner comae of many bright (gas productive) comets are often optically thick to solar Lyman-alpha radiation. Second, even in the case of a small comet (low gas production) the large IUE aperture is quite small as compared with the immense size of the hydrogen coma, so an accurate model which properly accounts for the spatial distribution of the coma is required to invert the infrared brightnesses to column densities and finally to H atom production rates. Our Monte Carlo particle trajectory model (MCPTM), which for the first time provides the realistic full phase space distribution of H atoms throughout the coma has been used as the basis for the analysis of IUE observations of the inner coma. The MCPTM includes the effects of the vectorial ejection of the H atoms upon dissociation of their parent species (H2O and OH) and of their partial collisional thermalization. Both of these effects are crucial to characterize the velocity distribution of the H atoms. This combination of the MCPTM and spherical radiative transfer code had already been shown to be successful in understanding the moderately optically thick coma of comet P/Giacobini-Zinner and the coma of comet Halley that varied from being slightly to very optically thick. Both of these comets were observed during solar minimum conditions. Solar activity affects both the photochemistry of water and the solar Lyman-alpha radiation flux. The overall plan of this program here was to concentrate on comets observed by IUE at other time during the solar cycle, most importantly during the two solar maxima of 1980 and 1990. Described herein are the work performed and the results obtained.

Combi, Michael R.↗