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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Virtual Flow Simulator

Virtual Flow Simulator (VFS) is a state-of-the-art computational fluid mechanics (CFD) package that is capable of simulating multi-physics/multi-phase flows with the most advanced turbulence models (RANS, LES) over complex terrains. The flow solver is based on the Curvilinear Immersed Boundary (CURVIB) method to handle geometrically complex and moving domains. Different modules of the VFS package can provide different simulation capabilities for specific applications ranging from the fluid-structure interaction (FSI) of solid and deformable bodies, the two-phase free surface flow solver based on the level set method for ocean waves, sediment transport models in rivers and the large-scale models of wind farms based on actuator lines and surfaces. All numerical features of VFS package have been validated with known analytical and experimental data as reported in the related journal articles. VFS package is suitable for a broad range of engineering applications within different industries. VFS has been used in different projects with applications in wind and hydrokinetic energy, offshore and near-shore ocean studies, cardiovascular and biological flows, and natural streams and river morphodynamics. Over the last decade, the development of VFS has been supported and assisted with the help of various United States companies and federal agencies that are listed in the sponsor lists. In this version, VFS-Wind contains all the necessary modeling tools for wind energy applications, including land-based and offshore wind farms. VFS is highly scalable to run on either desktop computers or high performance clusters (up to 16,000 CPUs). This released version comes with a detailed user’s manual and a set of case studies designed to facilitate the learning of the various aspects of the code in a comprehensive manner. The included documentation and support material has been elaborated in a collaboration effort with Sandia National Labs under the contract DE-EE0005482. The VFS-Wind source code is distributed under the GNU General Public License (GPL 2.0), offering to the community the flexibility to use and expand the capabilities of the package. We note that future publications including academic journals that result from the use of VFS must be cited appropriately under the GPL v.2 license agreement.

Calderer, Antoni↗
DOE OSTI2016

Manipulation of fluids in three-dimensional porous photonic structures with patterned surface properties

A three-dimensional porous photonic structure, whose internal pore surfaces can be provided with desired surface properties in a spatially selective manner with arbitrary patterns, and methods for making the same are described. When exposed to a fluid (e.g., via immersion or wicking), the fluid can selectively penetrate the regions of the structure with compatible surface properties. Broad applications, for example in security, encryption and document authentication, as well as in areas such as simple microfluidics and diagnostics, are anticipated.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Methods for making bifunctional porous non-noble metal phosphide catalyst for overall water splitting, electrodes for overall water splitting, and methods for electrocatalytic water splitting

A method of manufacturing a bifunctional electrocatalyst for overall water splitting comprising oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) by growing electrocatalyst comprising primarily metallic phosphides on a three-dimensional substrate by: immersing the substrate in an iron nitrate solution to form a once disposed substrate; subjecting the once disposed substrate to thermal phosphidation with phosphorus powder under inert gas to grow metal phosphides thereupon and form a once subjected substrate; cooling the once subjected substrate to form a cooled, once subjected substrate; immersing the cooled, once subjected substrate in an iron nitrate solution to form a twice disposed substrate; and subjecting the twice disposed substrate to thermal phosphidation with phosphorus powder under inert gas to provide an electrode comprising the bifunctional electrocatalyst on the three-dimensional substrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

Magnetospheric Multiscale Mission Observations and Non-Force Free Modeling of a Flux Transfer Event Immersed in a Super-Alfvenic Flow

We analyze plasma, magnetic field, and electric field data for a flux transfer event (FTE) to highlight improvements in our understanding of these transient reconnection signatures resulting from high-resolution data. The approximate 20 s long, reverse FTE, which occurred south of the geomagnetic equator near dusk, was immersed in super-Alfvnic flow. The field line twist is illustrated by the behavior of flows parallel perpendicular to the magnetic field. Four-spacecraft timing and energetic particle pitch angle anisotropies indicate a flux rope (FR) connected to the Northern Hemisphere and moving southeast. The flow forces evidently overcame the magnetic tension. The high-speed flows inside the FR were different from those outside. The external flows were perpendicular to the field as expected for draping of the external field around the FR. Modeling the FR analytically, we adopt a non-force free approach since the current perpendicular to the field is nonzero. It reproduces many features of the observations.

Farrugia, C. J.↗
DOE OSTI2018

Tailoring Surface Properties through in Situ Functionality Gradients in Reactively Modified Poly(2-vinyl-4,4-dimethyl azlactone) Thin Films

Generating physical or chemical gradients in thin-film scaffolds is an efficient approach for screening and optimizing an interfacial structure or chemical functionality to create tailored surfaces that are useful because of their wetting, antifouling, or barrier properties. In this paper, the relationship between the structure of poly(2-vinyl-4,4-dimethyl azlactone) (PVDMA) brushes created by the preferential assembly of poly(glycidyl methacrylate)-block-PVDMA diblock copolymers and the ability to chemically modify the PVDMA chains in situ to create a gradient in functionality are examined to investigate how the extent of functionalization affects the interfacial and surface properties. The introduction of a chemical gradient by controlled immersion allows reactive modification to generate position-dependent properties that are assessed by ellipsometry, attenuated total reflectance-Fourier transform infrared spectroscopy, contact angle measurements, and atomic force microscopy imaging. After functionalization of the azlactone rings with n-alkyl amines, ellipsometry confirms an increase in thickness and contact angle measurements support an increase in hydrophobicity along the substrate. These results are used to establish relationships between layer thickness, reaction time, position, and the extent of functionalization and demonstrate that gradual immersion into the functionalizing solution results in a linear change in chemical functionality along the surface. Finally, these findings broadly support efforts to produce tailored surfaces by in situ chemical modification, having application as tailored membranes, protein resistant surfaces, or sensors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The Influence of Current Density on Transport of Vanadium Acetylacetonate through a Cation-Exchange Membrane

Fluxes of negatively charged, neutral, and positively charged vanadium acetylacetonates through the cation-exchange membrane Nafion® 211 were measured as functions of current density. Fluxes increase in order V(C 5 H 7 O 2 ) 3 – < V(C 5 H 7 O 2 ) 3 0 < V(C 5 H 7 O 2 ) 3 + as expected for a membrane with fixed negative charges. Furthermore, the dependence of these fluxes on current density is quantitatively consistent with predictions made using independently measured conductivities in Nernst-Planck-Einstein transport equations. However, differences between the three fluxes are smaller than predicted by Donnan equilibrium calculations for Nafion 211 immersed in V(C 5 H 7 O 2 ) 3 solutions. Furthermore, specific interactions between sorbed species appear to be responsible for the relatively rapid transport of V(C 5 H 7 O 2 ) 3 – compared to V(C 5 H 7 O 2 ) 3 + .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Simultaneous cross-linking and p-doping of a polymeric semiconductor film by immersion into a phosphomolybdic acid solution for use in organic solar cells

Poly[ N -9'-heptadecanyl-2,7-carbazole- alt -5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT) is shown to be simultaneously cross-linked and p-doped when immersed into a phosphomolybdic acid solution, yielding conductive films with low solubility that can withstand the solution processing of subsequent photoactive layers. Furthermore, such a modified PCDTBT film serves to improve hole collection and limit carrier recombination in organic solar cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Control of optical transport parameters of 'porous medium – supercritical fluid' systems

The possibility of controlling optical transport parameters (in particular, transport scattering coefficient) of porous systems based on polymer fibres, saturated with carbon dioxide in different phase states (gaseous, liquid and supercritical) has been experimentally studied. An increase in the pressure of the saturating medium leads to a rise of its refractive index and, correspondingly, the diffuse-transmission coefficient of the system due to the decrease in the transport scattering coefficient. It is shown that, in the case of subcritical saturating carbon dioxide, the small-angle diffuse transmission of probed porous layers at pressures close to the saturated vapour pressure is determined by the effect of capillary condensation in pores. The immersion effect in 'porous medium – supercritical fluid' systems, where the fluid pressure is used as a control parameter, is considered. The results of reconstructing the values of transport scattering coefficient of probed layers for different refractive indices of a saturating fluid are presented. (radiation scattering)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Cs atoms on helium nanodroplets and the immersion of Cs{sup +} into the nanodroplet

We report the non-desorption of cesium (Cs) atoms on the surface of helium nanodroplets (He{sub N}) in their 6{sup 2}P{sub 1/2} ({sup 2}{Pi}{sub 1/2}) state upon photo-excitation as well as the immersion of Cs{sup +} into the He{sub N} upon photo-ionization via the 6{sup 2}P{sub 1/2} ({sup 2}{Pi}{sub 1/2}) state. Cesium atoms on the surface of helium nanodroplets are excited with a laser to the 6{sup 2}P states. We compare laser-induced fluorescence (LIF) spectra with a desorption-sensitive method (Langmuir-Taylor detection) for different excitation energies. Dispersed fluorescence spectra show a broadening of the emission spectrum only when Cs-He{sub N} is excited with photon energies close to the atomic D{sub 1}-line, which implies an attractive character of the excited state system (Cs*-He{sub N}) potential energy curve. The experimental data are compared with a calculation of the potential energy curves of the Cs atom as a function of its distance R from the center of the He{sub N} in a pseudo-diatomic model. Calculated Franck-Condon factors for emission from the 6{sup 2}P{sub 1/2} ({sup 2}{Pi}{sub 1/2}) to the 6{sup 2}S{sub 1/2} ({sup 2}{Sigma}{sub 1/2}) state help to explain the experimental data. The stability of the Cs*-He{sub N} system allows to form Cs{sup +} snowballs in the He{sub N}, where we use the non-desorbing 6{sup 2}P{sub 1/2} ({sup 2}{Pi}{sub 1/2}) state as a springboard for ionization in a two-step ionization scheme. Subsequent immersion of positively charged Cs ions is observed in time-of-flight mass spectra, where masses up to several thousand amu were monitored. Only ionization via the 6{sup 2}P{sub 1/2} ({sup 2}{Pi}{sub 1/2}) state gives rise to a very high yield of immersed Cs{sup +} in contrast to an ionization scheme via the 6{sup 2}P{sub 3/2} ({sup 2}{Pi}{sub 3/2}) state. When resonant two-photon ionization is applied to cesium dimers on He droplets, Cs{sub 2}{sup +}-He{sub N} aggregates are observed in time-of-flight mass spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Amino-terminated biphenylthiol self-assembled monolayers as highly reactive molecular templates

Self-assembled monolayers (SAMs) with amino tail groups are of interest due to their ability of coupling further compounds. Such groups can be, in particular, created by electron irradiation of nitro- or nitrile-substituted aromatic SAMs, which provide a basis for chemical nanolithography and the fabrication of functionalized nanomembranes. An estimate of reactivity of the created amino groups requires a reference system of homogeneous, amino-terminated aromatic SAMs, which can also be used as a highly reactive molecular template. Here, we describe the synthesis of 4′-aminobiphenyl-4-thiol (ABPT) and SAMs prepared from this precursor on Au(111). The monolayers were characterized by X-ray photoelectron spectroscopy and near edge X-ray absorption fine structure spectroscopy, which revealed that they are well defined, chemically uniform, densely packed, and highly ordered. To examine the influence of electron irradiation on the reactivity of the terminal amino groups, ABPT SAMs were exposed to low energy (50 eV) electrons up to a dose of 40 mC/cm{sup 2} and, subsequently, immersed in either trifluoroacetic, pentafluoropropionic, or heptafluorobutyric anhydride. Analysing the amount of the attached anhydride species made it possible to determine the percentage of reactive amino groups as well as the effect of steric hindrance upon the coupling reaction. The above results are compared with those obtained for the well-established nitro-substituted biphenylthiol monolayers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A study of corrosion on electrodeposited superhydrophobic copper surfaces

This study considers the corrosion characteristics of superhydrophobic copper surfaces with multiscale asperities formed inherently on a copper substrate, using a facile, low energy, electrodepostion method. A systematic study is presented for the first time on the effect of surface functionalization time on long-term immersion in a wide range of corrosive environments from the extremely acidic to the extremely alkaline. The corrosion resistance is also reported for the first time as a function of temperature in the range 23–85°C. The superhydrophobic surfaces are shown to enhance corrosion resistance by up to four orders of magnitude compared to bare copper.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Method for lithograghic patterning of sensitive materials

Methods for patterning highly sensitive materials, such as organic materials, organic semiconductors, biomolecular materials, and the like, with photolithographic resolution are disclosed. In some embodiments, a germanium mask (304) is formed on the surface of the sensitive material (302), thereby protecting it from subsequent processes that employ harsh chemicals that would otherwise destroy the sensitive material (302). A microlithography mask (306) is patterned on the germanium mask layer (304), after which the germanium exposed by the microlithography mask (306) is removed by dissolving it in water. After transferring the pattern of the germanium mask (304) into the sensitive material (302), the germanium and microlithography masks (304, 306) are completely removed by immersing the substrate in water, which dissolves the remaining germanium and lifts off the microlithography mask material. As a result, the only chemical to which the sensitive material (302) is exposed during the patterning process is water, thereby mitigating or avoiding damage to the material (302).

36 MATERIALS SCIENCE↗
DOE OSTI2014

A scattering function of star polymers including excluded volume effects

In this work we present a new model for the form factor of a star polymer consisting of self-avoiding branches. This new model incorporates excluded volume effects and is derived from the two point correlation function for a star polymer.. We compare this model to small angle neutron scattering (SANS) measurements from polystyrene (PS) stars immersed in a good solvent, tetrahydrofuran (THF). It is shown that this model provides a good description of the scattering signature originating from the excluded volume effect and it explicitly elucidates the connection between the global conformation of a star polymer and the local stiffness of its constituent branch.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

The Fast Scattering Code (FSC): Validation Studies and Program Guidelines

The Fast Scattering Code (FSC) is a frequency domain noise prediction program developed at the NASA Langley Research Center (LaRC) to simulate the acoustic field produced by the interaction of known, time harmonic incident sound with bodies of arbitrary shape and surface impedance immersed in a potential flow. The code uses the equivalent source method (ESM) to solve an exterior 3-D Helmholtz boundary value problem (BVP) by expanding the scattered acoustic pressure field into a series of point sources distributed on a fictitious surface placed inside the actual scatterer. This work provides additional code validation studies and illustrates the range of code parameters that produce accurate results with minimal computational costs. Systematic noise prediction studies are presented in which monopole generated incident sound is scattered by simple geometric shapes - spheres (acoustically hard and soft surfaces), oblate spheroids, flat disk, and flat plates with various edge topologies. Comparisons between FSC simulations and analytical results and experimental data are presented.

Tinetti, Ana F.↗
DOE OSTI2014

Feasibility study of prompt gamma neutron activation for NDT measurement of moisture in stone and brick

The conservation of stone and brick architecture or sculpture often involves damage caused by moisture. The feasibility of a NDT method based on prompt gamma neutron activation (PGNA) for measuring the element hydrogen as an indication of water is being evaluated. This includes systematic characterization of the lithology and physical properties of seven building stones and one brick type used in the buildings of the Smithsonian Institution in Washington, D.C. To determine the required dynamic range of the NDT method, moisture-related properties were measured by standard methods. Cold neutron PGNA was also used to determine chemically bound water (CBW) content. The CBW does not damage porous masonry, but creates an H background that defines the minimum level of detection of damaging moisture. The CBW was on the order of 0.5% for all the stones. This rules out the measurement of hygric processes in all of the stones and hydric processed for the stones with fine scale pore-size distributions The upper bound of moisture content, set by porosity through water immersion, was on the order of 5%. The dynamic range is about 10–20. The H count rates were roughly 1–3 cps. Taking into account differences in neutron energies and fluxes and sample volume between cold PGNA and a portable PGNA instrument, it appears that it is feasible to apply PGNA in the field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Study on characteristics of PVDF/nano-clay composite polymer electrolyte using PVP as pore-forming agent

Polyvinylidene fluoride (PVDF) based polymer electrolytes have a high dielectric constant, which can assist in greater ionization of lithium salts. The main advantages of PVDF are its durability in long battery operation and its ability to be a good ion conductor. However, the limitation of this polymer is its crystalline molecular structure. Dispersing nano-particles in the polymer matrix may improve the characteristics of the PVDF polymer. This paper aims to investigate the impact of nano-clay addition on the characteristics of PVDF polymer to be used as a polymer electrolyte membrane. In addition, the effect of poly(vinyl pyrrolidone) (PVP) is also investigated. The membrane was prepared by phase separation method whereas the polymer electrolyte membranes was prepared by immersing into 1 M lithium hexafluorophosphate (LiPF{sub 6}) in ethylene carbonate/dimethyl carbonate (EC/DMC) electrolytes for 1 h. The membranes were characterized by scanning electron microscope (SEM), porosity and electrolyte uptake and performance in battery cell. The results showed that both nano-clay and PVP have significant impacts on the improvement of PVDF membranes to be used as polymer electrolyte.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Spectral Solutions of Self-adjoint Elliptic Problems with Immersed Interfaces

This paper describes a spectral representation of solutions of self-adjoint elliptic problems with immersed interfaces. The interface is assumed to be a simple non-self-intersecting closed curve that obeys some weak regularity conditions. The problem is decomposed into two problems, one with zero interface data and the other with zero exterior boundary data. The problem with zero interface data is solved by standard spectral methods. The problem with non-zero interface data is solved by introducing an interface space H{sub {Gamma}}({Omega}) and constructing an orthonormal basis of this space. This basis is constructed using a special class of orthogonal eigenfunctions analogously to the methods used for standard trace spaces by Auchmuty (SIAM J. Math. Anal. 38, 894-915, 2006). Analytical and numerical approximations of these eigenfunctions are described and some simulations are presented.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Alloy surface activation by immersion in aqueous acid solution

A process for surface activation or depassivation of an article, in particular an alloy, by immersion of the alloy in an aqueous acid solution. The surface activation methods of the present invention can be performed during a relatively short period of time and achieve reductions in production costs and provide environmental friendliness as compared to prior art processes. In a further embodiment, after surface activation, the article is immersed in a second liquid that prevents re-formation of a passivating oxide layer on the surface of the article. In a further embodiment the surface-activated alloys are subjected to surface engineering by a process that infuses carbon or nitrogen through the surface at a temperature sufficiently low to suppress precipitation of carbides or nitrides.

36 MATERIALS SCIENCE↗