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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Two-dimensional electronic Stark spectroscopy of a photosynthetic dimer

Stark spectroscopy, which measures changes in the linear absorption of a sample in the presence of an external DC electric field, is a powerful experimental tool for probing the existence of charge-transfer (CT) states in photosynthetic systems. CT states often have small transition dipole moments, making them insensitive to other spectroscopic methods, but are particularly sensitive to Stark spectroscopy due to their large permanent dipole moment. In a previous study, we demonstrated a new experimental method, two- dimensional electronic Stark spectroscopy (2DESS), which combines two-dimensional electronic spectroscopy (2DES) and Stark spec- troscopy. In order to understand how the presence of CT states manifest in 2DESS, here, we perform computational modeling and calculations of 2DESS as well as 2DES and Stark spectra, studying a photosynthetic dimer inspired by the photosystem II reaction center. Here, we identify specific cases where qualitatively different sets of system parameters produce similar Stark and 2DES spectra but significantly different 2DESS spectra, showing the potential for 2DESS to aid in identifying CT states and their coupling to excitonic states.

14 SOLAR ENERGY↗
NASA NTRS1995

Alternate physical formats for storing data in HDF

Since its inception HDF has evolved to meet new demands by the scientific community to support new kinds of data and data structures, larger data sets, and larger numbers of data sets. The first generation of HDF supported simple objects and simple storage schemes. These objects were used to build more complex objects such as raster images and scientific data sets. The second generation of HDF provided alternate methods of storing data elements, making it possible to do such things as store extendible objects with in HDF, to store data externally from HDF files, and support data compression effectively. As we look to the next generation of HDF, we are considering fundamental changes to HDF, including a redefinition of the basic HDF object from a simple object to a more general, higher-level scientific data object that has certain characteristics, such as dimensionality, a more general atomic number type, and attributes. These changes suggest corresponding changes to the HDF file format itself.

Folk, Mike↗
DOE OSTI2023

Collective dynamics and defect generation for Wigner crystal ratchets

Here we consider a two-dimensional Wigner crystal coupled to a quasi-one-dimensional asymmetric potential under ac or dc driving. As a function of electron density, substrate strength, and ac amplitude, we find that the system exhibits ordered and disordered pinned and dynamical states. Ratchet effects can appear under an applied ac drive and can be associated with pronounced structural changes from a disordered state to a one-dimensional smecticlike state. We observe a pinned phase, a diodelike ratchet where motion only occurs along the easy direction of the substrate asymmetry, a plastic ratchet where motion occurs in both directions but there is only a net drift in the easy direction, and an elastic ratchet where the system forms a crystal without plastic deformation that can still undergo ratcheting. At high filling, we find that there can be a ratchet reversal in which the net drift is along the hard direction of the substrate asymmetry. For weak disorder, there is an Aubry transition to a floating phase where the ratchet effects are lost. We map out the different dynamical phases as a function of substrate strength, filling, ac amplitude, and ac frequency. The ratchet effect on strong substrates is enhanced by thermal fluctuations, but is destroyed when the fluctuations become too large. Based on our results, we suggest other ways to detect Wigner crystals as well as methods for creating different types of devices to control disordered charge flow.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Energy Release Rate Approximation for Small Surface Cracks in Three-Dimensional Domains Using the Topological Derivative

The topological derivative describes the variation of a response functional with respect to infinitesimal changes in topology, such as the introduction of an infinitesimal crack or hole. In this three-dimensional fracture mechanics work, we propose an approximation of the energy release rate field associated with a small surface crack of any boundary location, direction, and orientation combination using the topological derivative. Furthermore, this work builds on the work of Silva et al. (“Energy Release Rate Approximation for Small Surface-Breaking Cracks Using the Topological Derivative,” J. Mech. Phys. Solids 59(5), pp. 925–939), in which the authors proposed an approximation of the energy release rate field which was limited to two-dimensional domains. The proposed method is computationally advantageous because it only requires a single analysis. By contrast, current boundary element and finite element-based methods require an analysis for each crack length-location-direction-orientation combination. Furthermore, the proposed method is evaluated on the non-cracked domain, obviating the need for refined meshes in the crack tip region.

42 ENGINEERING↗
NASA NTRS1994

Computations of diabatic descent in the stratospheric polar vortex

A radiation model, together with National Meteorological Center temperature observations, was used to compute daily net heating rates in the northern hemisphere (NH) for the Arctic late fall and winter periods of both 1988-1989 and 1991-1992 and in the southern hemisphere (SH) for the Antarctic fall and winters of 1987 and 1992. The heating rates were interpolated to potential temperature (theta) surfaces between 400 K and 2000 K and averaged within the polar vortex, the boundary of which was determined by the maximum gradient in potential vorticity. The averaged heating rates were used in a one-dimensional vortex interior descent model to compute the change in potential temperature with time of air parcels initialized at various theta values, as well as to compute the descent in log pressure coodinates. In the NH vortex, air parcels which were initialized at 18 km on November 1, descended about 6 km by March 21, while air initially at 25 km descended 9 km in the same time period. this represents an average descent rate in the lower stratosphere of 1.3 to 2 km per month. Air initialized at 50 km descended 27 km between November 1 and March 21. In the SH vortex, parcels initialized at 18 km on March 1, descended 3 km, while air at 25 km descended 5-7 km by the end of October. This is equivalent to an average descent in the lower stratosphere of 0.4 to 0.9 km per month during this 8-month period. Air initialized at 52 km descended 26-29 km between March 1 and October 31. In both the NH and the SH, computed descent rates increased markedly with height. The descent for the NH winter of 1992-1993 and the SH winter of 1992 computed with a three-dimensional trajectory model using the same radiation code was within 1 to 2 km of that calculated by the one-dimensional model, thus validating the vortex averaging procedure. The computed descent rates generally agree well with observations of long-lived tracers, thus validating the radiative transfer model.

Rosenfield, Joan E.↗
NASA NTRS1943

Pressure Distribution in Nonuniform Two-Dimensional Flow

In an attempt to follow the time rate of change of the processes in turbulent flows by quantitative measurements the measurement of the pressure is often beset with insuperable difficulties for the reason that the speeds and hence the pressures to be measured are often very small. On the other hand, the measurement of very small pressures requires, at least, considerable time, so that the follow-up of periodically varying processes is as goad as impossible. In order to obviate these difficulties a method, suggested by Prof. Prandtl, has been developed by which the pressure distribution is simply determined from the photographic flow picture. This method is described and proved on a worked-out example. It was found that quantitatively very satisfactory results can be achieved.

M Schwabe↗
NASA NTRS2017

Comparisons of Mixed-Phase Icing Cloud Simulations with Experiments Conducted at the NASA Propulsion Systems Laboratory

This paper builds on previous work that compares numerical simulations of mixed-phase icing clouds with experimental data. The model couples the thermal interaction between ice particles and water droplets of the icing cloud with the flowing air of an icing wind tunnel for simulation of NASA Glenn Research Centers (GRC) Propulsion Systems Laboratory (PSL). Measurements were taken during the Fundamentals of Ice Crystal Icing Physics Tests at the PSL tunnel in March 2016. The tests simulated ice-crystal and mixed-phase icing that relate to ice accretions within turbofan engines. Experimentally measured air temperature, humidity, total water content, liquid and ice water content, as well as cloud particle size, are compared with model predictions. The model showed good trend agreement with experimentally measured values, but often over-predicted aero-thermodynamic changes. This discrepancy is likely attributed to radial variations that this one-dimensional model does not address. One of the key findings of this work is that greater aero-thermodynamic changes occur when humidity conditions are low. In addition a range of mixed-phase clouds can be achieved by varying only the tunnel humidity conditions, but the range of humidities to generate a mixed-phase cloud becomes smaller when clouds are composed of smaller particles. In general, the model predicted melt fraction well, in particular with clouds composed of larger particle sizes.

Thermal model↗
DOE OSTI2019

Effect of SiO{sub 2} on the Formation of Acicular Calcium Ferrite in Sinter

SiO{sub 2} greatly influences the formation of acicular calcium ferrite (ACF), which is the main binder phase in sinter, but the mechanism of its influence is not yet clear. Experiments were carried out under air at 1200 °C with different amounts of SiO{sub 2} mixed with Fe{sub 2}O{sub 3} and Ca(OH){sub 2}. X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), and three-dimensional (3D) reconstruction were used to characterize the phase and morphological changes of the sintered samples. The results show that SiO{sub 2} can form silicon-ferrite of calcium (SFC), which is beneficial to the formation of ACF in sinter. The SFC content first increased and then decreased with the increasing SiO{sub 2} content. The sintered sample contained the highest contents of SFC and ACF when w(SiO{sub 2}) was 3 to 4 pct. The morphological changes in calcium ferrite observed with the increasing SiO{sub 2} content followed a sequence of massive → platy → acicular; both platy calcium ferrite and ACF were the longest in one direction in their 3D morphology. The inclusion of Si{sup 4+} in calcium ferrite crystals changes the crystal growth habit from having no obvious orientation to having a preferential orientation along the (040) or (320) surfaces, as determined by the first-principles calculations and XRD analysis of block samples. Viscosity was the main environmental factor influencing the size of ACF in samples with sufficient liquid phase.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Sensitivity of tropospheric hydrogen peroxide to global chemical and climate change

The sensitivities of tropospheric HO2 and hydrogen peroxide (H2O2) levels to increases in CH4, CO, and NO emissions and to changes in stratospheric O3 and tropospheric O3 and H2O have been evaluated with a one-dimensional photochemical model. Specific scenarios of CH4-CO-NO(x) emissions and global climate changes are used to predict HO2 and H2O2 changes between 1980 and 2030. Calculations are made for urban and nonurban continental conditions and for low latitudes. Generally, CO and CH4 emissions will enhance H2O2; NO emissions will suppress H2O2 except in very low NO(x) regions. A global warming or stratospheric O3 depletion will add to H2O2. Hydrogen peroxide increases from 1980 to 2030 could be 100 percent or more in the urban boundary layer.

Thompson, Anne M.↗
NASA NTRS2015

Description, Usage, and Validation of the MVL-15 Modified Vortex Lattice Analysis Capability

MVL-15 is the most recent version of the Modified Vortex-Lattice (MVL) code developed within the Aerodynamics Systems Analysis Branch (ASAB) at NASA LaRC. The term "modified" refers to the primary modification of the core vortex-lattice methodology: inclusion of viscous aerodynamics tables that are linked to the linear solution via iterative processes. The inclusion of the viscous aerodynamics inherently converts the MVL-15 from a purely analytic linearized method to a semi-empirical blend which retains the rapid execution speed of the linearized method while empirically characterizing the section aerodynamics at all spanwise lattice points. The modification provides a means to assess non-linear effects on lift that occur at angles of attack near stall, and provides a means to determine the drag associated with the application of design strategies for lift augmentation such as the use of flaps or blowing. The MVL-15 code is applicable to the analyses of aircraft aerodynamics during cruise, but it is most advantageously applied to the analysis of aircraft operating in various high-lift configurations. The MVL methodology has been previously conceived and implemented; the initial concept version was delivered to the ASAB in 2001 (van Dam, C.), subsequently revised (Gelhausen, P. and Ozoroski, T. 2002 / AVID Inc., Gelhausen, P., and Roberts, M. 2004), and then overhauled (Ozoroski, T., Hahn, A. 2008). The latest version, MVL-15 has been refined to provide analysis transparency and enhanced to meet the analysis requirements of the Environmentally Responsible Aviation (ERA) Project. Each revision has been implemented with reasonable success. Separate applications of the methodology are in use, including a similar in-house capability, developed by Olson, E. that is tailored for structural and acoustics analyses. A central premise of the methodology is that viscous aerodynamic data can be associated with analytic inviscid aerodynamic results at each spanwise wing section, thereby providing a pathway to map viscous data to the inviscid results. However, a number of factors can sidetrack the analysis consistency during various stages of this process. For example, it should be expected that the final airplane lift curve and drag polar results depend strongly on the geometry and aerodynamics of the airfoil section; however, flap deflections and flap chord extensions change the local reference geometry of the input airfoil, the airplane wing, the tabulated non-dimensional viscous aerodynamics, and the spanwise links between the linear and the viscous aerodynamics. These changes also affect the bound circulation and therefore, calculation and integration of the induced angle of attack and induced drag. MVL-15 is configured to ensure these types of challenges are properly addressed. This report is a comprehensive manual describing the theory, use, and validation of the MVL-15 analysis tool. Section 3 summarizes theoretical, procedural, and characteristic features of MVL-15, and includes a list of the files required to setup, execute, and summarize an analysis. Section 4, Section 5, Section 6, and Section 7 combine to comprise the User's Guide portions of this report. The MVL-15 input and output files are described in Section 4 and Section 5, respectively; the descriptions are supplemented with example files and information about the file formats, parameter definitions, and typical parameter values. Section 6 describes the Wing Geometry Setup Utility and the 2d-Variants Utility files that simplify and assist setting up a consistent set of MVL-15 geometry and aerodynamics input parameters and input files. Section 7 describes the use of the 3d-Results Presentation Utility file that can be used to automatically create summary tables and charts from the MVL-15 output files. Section 8 documents the Validation Results of an extensive and varied validation test matrix, including results of an airplane analysis representative of the ERA Program. A start-to-finish example of the airplane analysis procedure is described in Section 7.

Ozoroski, Thomas A.↗
NASA NTRS1974

Quasi-three-dimensional flow solution by meridional plane analysis

A computer program has been developed to obtain subsonic or shock-free transonic, nonviscous flow analysis on the hub-shroud midchannel flow surface of a turbomachine. The analysis may be for any annular passage, with or without blades. The blades may be fixed or rotating and may be twisted and leaned. The flow may be axial, radial, or mixed. Blade surface velocities over the entire blade are approximated, based on the rate of change of angular momentum. This gives a three-dimensional flow picture based on a two-dimensional analysis. This paper discusses the method used for the program and shows examples of the type of passages and blade rows which can be analyzed. Also, some numerical examples are given to show how the program can be used for practical assistance in design of blading, annular passages, and annular diffusers.

Katsanis, T.↗
NASA NTRS2019

Space Communications and Navigation (SCaN) Tool Capabilities Updates for Antenna Pattern and Jitter

The ability to accurately simulate the dynamic misalignment of pointing across a communications link is critical to determining the link performance between/across spacecraft and/or ground stations. The communication system antenna pattern and dynamic misalignment are key components to understanding the pointing loss induced on the communications link. Currently, projects performing these analyses use a variety of simulation tools and packages. NASA's Space Communications and Navigation (SCaN) office aims to provide a unified tool set for these functions. However, the analysis tool to calculate antenna patterns is currently static, two-dimensional, and approximated based on limited input. Steps were taken to change the inputs used by the tool to create a more accurate approximation of the antenna's far field pattern as well as create a three-dimensional pattern. An additional tool was also developed to calculate time-dynamic pointing loss from the antenna pattern generated or observed antenna pattern data given dynamic pointing errors.

SCaN↗
DOE OSTI2021

Fragile 3D Order in V 1 - x Mo x O 2

The metal-to-insulator transition in rutile VO2 has proven uniquely difficult to characterize because of the complex interplay between electron correlations and atomic structure. Here, we report the discovery of the sudden collapse of three-dimensional order in the low-temperature phase of V1-xMoxO2 at x = 0.17 and the emergence of a novel frustrated two-dimensional order at x = 0.19, with only a slight change in electronic properties. Single crystal diffuse x-ray scattering reveals that this transition from the 3D M1 phase to a 2D variant of the M2 phase results in long-range structural correlations along symmetry-equivalent (11L) planes of the tetragonal rutile structure, yet extremely short-range correlations transverse to these planes. These findings suggest that this two dimensionality results from a novel form of geometric frustration that is essentially structural in origin.

36 MATERIALS SCIENCE↗
DOE OSTI2024

RANSBox: A zero-dimensional modular software package for Reynolds-averaged Navier-Stokes modeling

RANSBox is a zero-dimensional software package for Reynolds-averaged Navier-Stokes (RANS) modeling developed at Lawrence Livermore National Laboratory to support common implementation of RANS models across a variety of host codes with different numerical schemes and code bases. Herein this work describes the key features of RANSBox including “model-agnostic integration,” which allows new models to be implemented in RANSBox and quickly deployed to host codes without additional changes to the host code base. Three one-dimensional test problems with analytical asymptotic properties are described which can be used to verify correctness of RANSBox integration. Results for these problems are then compared across different RANS models in a single code and across different codes with a common RANS model. By using a common model implementation in RANSBox, host codes with different numerical schemes and formal orders of accuracy are demonstrated to predict the expected behavior for the three test problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1985

Accumulation of the Terrestrial Planets

The validity of the two body approximation in calculations of planetary growth is examined. Use of this approximation is essential to practical 3 dimensional simulations of planetary growth. With regard to gravitational perturbations, the changes in semimajor axis, eccentricity, and inclination resulting from close planetesimal encounters (near 1 A.U.) out to 10 Tisserand sphere of influence radii were calculated by two and three dimensional numerical integration. These were compared with the results of treating the encounter as a two body problem, as is customary in Monte Carlo calculations of orbital evolution and in numerical and analytical studies of planetary accumulation. It is found that for values of (V/V sub e) approx. 0.35 (V = relative velocity, V = escape velocity of largest body), the two body approximation fails to describe the outcome of individual encounters. In this low velocity region, the two body gravitational focusing cross section is no longer valid.

Wetherill, G. W.↗
DOE OSTI2025

Manipulating Ferroelectric Topological Polar Structures with Twisted Light

Abstract The dynamic control of non‐equilibrium states represents a central challenge in condensed matter physics. While intense terahertz fields drive metal‐insulator transitions and ferroelectricity via soft phonon modes, recent theory suggests that twisted light with orbital angular momentum (OAM) offers a distinct route to manipulate ferroelectric order and stabilize topological excitations including skyrmions, vortices, and Hopfions. Control of ferroelectric polarization in quasi‐2D CsBiNb 2 O 7 (CBNO) is demonstrated using non‐resonant twisted ultra‐violet (UV) light (375 nm, 800 THz). Combining in situ X‐ray Bragg coherent diffractive imaging (BCDI), twisted optical Raman spectroscopy, and density functional theory (DFT), three‐dimensional (3D) ionic displacements, strain fields, and polarization changes are resolved in single crystals. Operando measurements reveal light‐induced strain hysteresis under twisted light–a hallmark of nonlinear, history‐dependent ferroelastic switching driven by OAM. Discrete, irreversible domain transitions emerge as the topological charge ℓ is cycled, stabilizing non‐trivial domain textures including vortex‐antivortex pairs, Bloch/anti‐Bloch points, and merons. These persist after OAM removal, indicating a memory effect. Competing mechanisms are discussed, including multiphoton absorption, strain‐mediated polarization switching, and defect‐wall interactions. The findings establish structured light as a tool for deterministic, reversible control of ferroic states, enabling optically reconfigurable non‐volatile devices.

Chemistry↗
DOE OSTI2020

Water-dispersible nanocolloids and higher temperatures promote the release of carbon from riparian soil

Increasing temperatures in alpine regions accompanied by glacial retreat is occurring rapidly due to climate change. This may affect riparian soils by increasing weathering rates, resulting in greater organic carbon (OC) release to rivers via movement of iron-containing colloids and nanonminerals. Increased concentrations of iron- or silcate-nanominerals would result in higher surface area for OC adsorption. To test the influence of temperature on OC leaching, we examined mineral weathering and nanocolloid facilitated release of OC through a series of controlled laboratory batch and column experiments using sediment from the banks of the Nisqually River, Mount Rainier in Washington State (USA). Additional experiments were conduscted using the same sediments, but with an illite amendment added to test the influence of additional surface area and nanominerals that many sediments along the Nisqually River contain. These higher- and lower-surface-area sediments (i.e., sediments with and with the illite amendment) were incubated for three months at 4 or 20 °C, followed by batch and column OC leaching tests. Results show that OC leaching rates for 20 °C were two to three times greater than for 4 °C. Further, our results suggest that nanocolloids are responsible for moving this increased OC load from these sediments. When hydrologically connected, OC is released from back sediments to rivers faster than presently anticipated in fluvial environments experiencing climate change-induced glacial retreat. Further, a one-dimensional, finite-element computational model developed for this study estimates that a 1 °C increase in temperature over a 3-mo summer runoff period increases the OC release rate from sediments by 79%.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Visualizing Size-Dependent Dynamics of CeO 2-δ {100}-Supported CoO x Nanoparticles Under CO 2 Hydrogenation Conditions

Carbon dioxide is a major greenhouse gas. In order to optimize processes focused on its chemical valorization, one needs detailed information about the effects of CO 2 and/or CO 2 /H 2 mixtures on the structure and morphology of metal/oxide catalysts. Here, in this study, the evolution of a catalyst with cobalt supported on CeO 2 -cube nanostructures under CO 2 hydrogenation conditions was investigated by using a set of in situ characterization techniques (X-ray absorption fine structure, X-ray diffraction, diffuse reflectance infrared Fourier transform spectroscopy, and environmental transmission electron microscopy (TEM)). The {100} facets of the ceria support displayed an unexpectedly high stability due to strong interactions with the aggregates of cobalt oxide. A significant influence of interfacial bonding between CoO x and CeO 2-δ {100} is evident through a clear preference in the orientation of CoO x nanoparticles (NPs) with respect to the substrate. For initially reduced Co/CeO 2 -cube nanostructures, a kinetically controlled oxidation of cobalt upon the introduction of CO 2 was observed during the early stages of CO 2 hydrogenation. Environmental TEM revealed the size-dependent morphological behavior of cobalt oxide NPs due to strong interactions with the CeO 2 {100} surface. When the environment was switched from H 2 to a mixture of H 2 and CO 2 at 250 °C, small CoO x NPs (in the largest dimension < 2.5 nm) rapidly transformed from a pyramidal three-dimensional (3D) form to a planar, monatomic layer attached to the concurrently oxidized CeO 2-δ {100} surface. This maximizes the number of sites available for the binding of CO 2 or reaction intermediates. The shape transformation reflected the oxophilic character of cobalt and strong metal–support interactions. The removal of CO 2 from the gas phase led to a reduction of the cobalt oxide NPs by hydrogen and a reversible two-dimensional → 3D transformation. In contrast, no significant morphological changes, apart from further oxidation, were observed for big CoO x NPs (in the largest dimension > 3 nm). These trends are not seen for nanoparticles of noble metals. The observed morphological and structural changes in the small CoO x NPs affected the stability of reaction intermediates and modified the selectivity of the CoO x /CeO 2 catalyst system for methane production.

36 MATERIALS SCIENCE↗