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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Kelvin probe force microscopy under ambient conditions

Kelvin probe force microscopy (KPFM) is a technique derived from atomic force microscopy that provides maps of surface potential or work function differences across material systems, with nanometre-scale resolution. KPFM is a useful tool for investigating electrical phenomena such as dipole orientation, interfacial charge transfer, charge accumulation, band bending and doping levels. This Primer aims to provide an overview of typical ambient-condition KPFM measurements, covering their underlying principles, experimental implementations and wide-ranging applications. Key KPFM variants, including amplitude and frequency modulation, heterodyne detection schemes and innovative open loop and pulsed force techniques, are discussed, with practical guidance on optimizing signal acquisition and reducing errors. Specialized approaches, such as time-resolved KPFM and multimodal KPFM, are discussed for their ability to capture dynamic charge processes and chemical information, respectively. Here, we highlight recent advances in KPFM applications, spanning metal alloys, soft matter, ferroelectrics, photovoltaics and 2D materials, showcasing its versatility across research domains. By addressing current limitations and identifying future opportunities, this Primer underscores the transformative potential of KPFM in advancing the understanding of nanoscale electrical phenomena.

Zahmatkeshsaredorahi, Amirhossein [Lehigh Univ., B↗
DOE OSTI2023

Hidden singularities in spontaneously polarized molecular solids

Films of dipolar molecules formed by physical vapor deposition are, in general, spontaneously polarized, with implications ranging from electron transfer in molecular optoelectronic devices to the properties of astrochemical ices in the interstellar medium. Polarization arises from dipole orientation, which should intuitively decrease with increasing deposition temperature, T. However, it is experimentally found that minimum or maximum values in polarization vs T may be observed for cis-methyl formate, 1-propanol, and ammonia. A continuous analytic form of polarization vs T is developed, which has the property that it is not differentiable at all T. The minima and maxima in polarization vs T are marked by singularities in the differential of this analytic form. In conclusion, this exotic behavior is presently unique to films of dipolar species and has not been reported, for example, in the related magnetic phases of spin glasses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Casimir-Polder potential on an excited atom near an atomic array

We develop a microscopic description of the fluctuation-mediated Casimir-Polder (CP) shifts on a 'test' two-level atom placed near a two-dimensional atomic array of two-level atoms. We derive the resonant and off-resonant CP potentials experienced by the excited test atom using fourth-order perturbation theory, under the assumption that the test atom resonance is far detuned from those of the array atoms. The total potential on the test atom can be described as the sum of the pairwise resonant and off-resonant potentials resulting from its interaction with the individual atoms of the array. We analyze the asymptotic scaling of CP shifts as a function of the test atom-array separation, and its dependence on various system parameters: array spacing and size, and dipole orientation of the array atoms. Our results bridge the description of CP potential across two distinct regimes: (i) from a single-atom limit where we recover the well-known two-atom Van der Waals potential, (ii) to a macroscopic boundary limit, where we demonstrate new asymptotic scaling laws. We demonstrate that these scaling laws can be tuned via the microscopic parameters of the atomic array, establishing atomically-controlled arrays as a versatile platform for tailoring fluctuation-induced QED phenomena.

FOS: Physical sciences↗
NASA NTRS1980

Energetic particles in the pre-dawn magnetotail of Jupiter

A detailed account is given of the energetic electron and proton populations as observed with Voyagers 1 and 2 during their passes through the dawn magnetotail of Jupiter. The region between 20 and 150 R sub J is dominated by a thin plasma sheet, where trapped energetic electron and proton fluxes reach their maximum. Proton spectra can be represented by an exponential in rigidity with a characteristic energy of approximately 50 keV. Proton anisotropies were consistent with corotation even at 100 R sub J. A major proton acceleration event as well as several cases of field aligned proton streaming were observed. The flux of 0.4 MeV protons decreases by three orders of magnitude between 30 and 90 R sub J and then remains relatively constant to the magnetopause. Fine structure in the data indicate longitudinal asymmetries with respect to the dipole orientation. Electron spectra in the magnetosheath and interplanetary space are modulated by the Jovian longitude relative to the subsolar point.

Schardt, A. W.↗
NASA NTRS1986

Aspects of the 40-50 day oscillation during the northern summer as inferred from outgoing longwave radiation

The intraseasonal variability (ISV) of tropical convection during the northern summer and its connection with the monsoon over India and east Asia is studied from a planetary-scale perspective. A 40-50 day oscillation consisting primarily of an east-west oriented dipole with centers located over the Indian Ocean/Subcontinent and the western Pacific is shown to be an important component of the ISV of tropical convection during summer. Over these regions, the oscillation undergoes complex structural changes which are manifested in simultaneous cloudiness propagation eastward along the equator from the eastern Indian Ocean to the western Pacific, northward from the Indian Ocean into the Subcontinent, and northwestward from the equatorial western Pacific to the South China Sea. The oscillation is also found to be phase-locked to the monsoon onset of India, the Mei-yu regime over South China, and, in general, the seasonal variation of convection over the equatorial Indian-West Pacific Ocean.

Lau, K.-M.↗
NASA NTRS1991

Plasma waves in planetary magnetospheres

The plasma wave spectra are presented for the magnetospheres of five planets (the earth, Jupiter, Saturn, Uranus, and Neptune). A general comparison of the various plasma wave modes at each of the planets is provided using a common format for displaying the spectra. Results show that, in spite of great differences in the magnetospheres' sizes, heliocentric distances, energy sources, plasma sources, and magnetic dipole orientations between different planets, many of the same types of wave modes are present in each of the five magnetospheres. However, there are great differences in the relative and absolute intensity of some of the wave modes.

Kurth, W. S.↗
NASA NTRS1992

Fitting a three-component scattering model to polarimetric SAR data

A new technique for fitting a three-component scattering mechanism model to the polarimetric synthetic aperture radar (SAR) data itself, without utilizing any ground truth measurements, is presented. The three scattering mechanism components included in the model are volume scatter from randomly oriented dipoles, first-order Bragg surface scatter and a dihedral scattering mechanism for two surfaces with different dielectric constants. The model fit yields an estimate of the contribution to the total backscatter of each of the three components. The backscatter contributions can also be compared to give the relative percentage weight of each. The model fit has an equal number of input parameters (the polarimetric radar backscatter measurements) and output parameters (the backscatter parameters describing them). The model can be applied to entire images or to small areas within an image to give a first-order estimate of the relevant scattering mechanisms. The model was applied to many C-, L- and P-band Airborne SAR (AIRSAR) images of different types of terrain. Results were presented at the workshop.

Freeman, A.↗
NASA NTRS1995

Thermally Stable, Piezoelectric and Pyroelectric Polymeric Substrates and Method Relating Thereto

Production of an electric voltage in response to mechanical excitation (piezoelectricity) or thermal excitation (pyroelectricity) requires a material to have a preferred dipole orientation in its structure. This preferred orientation or polarization occurs naturally in some crystals such as quartz and can be induced into some ceramic and polymeric materials by application of strong electric or mechanical fields. For some materials, a combination of mechanical and electrical orientation is necessary to completely polarize the material. The only commercially available piezoelectric polymer is poly(vinylidene fluoride) (PVF2). However, this polymer has material and process limitations which prohibit its use in numerous device applications where thermal stability is a requirement. By the present invention, thermally stable, piezoelectric and pyroelectric polymeric substrates were prepared from polymers having a softening temperature greater than 1000C. A metal electrode material is deposited onto the polymer substrate and several electrical leads are attached to it. The polymer substrate is heated in a low dielectric medium to enhance molecular mobility of the polymer chains. A voltage is then applied to the polymer substrate inducing polarization. The voltage is then maintained while the polymer substrate is cooled 'freezing in' the molecular orientation. The novelty of the invention resides in the process of preparing the piezoelectric and pyroelectric polymeric substrate. The nonobviousness of the invention is found in heating the polymeric substrate in a low dielectric medium while applying a voltage.

Simpson, Joycelyn O.↗
NASA NTRS2001

Carbon Nanotubes in Water: MD Simulations of Internal and External Flow, Self Organization

We have developed computational tools, based on particle codes, for molecular dynamics (MD) simulation of carbon nanotubes (CNT) in aqueous environments. The interaction of CNTs with water is envisioned as a prototype for the design of engineering nano-devices, such as artificial sterocillia and molecular biosensors. Large scale simulations involving thousands of water molecules are possible due to our efficient parallel MD code that takes long range electrostatic interactions into account. Since CNTs can be considered as rolled up sheets of graphite, we expect the CNT-water interaction to be similar to the interaction of graphite with water. However, there are fundamental differences between considering graphite and CNTs, since the curvature of CNTs affects their chemical activity and also since capillary effects play an important role for both dynamic and static behaviour of materials inside CNTs. In recent studies Gordillo and Marti described the hydrogen bond structure as well as time dependent properties of water confined in CNTs. We are presenting results from the development of force fields describing the interaction of CNTs and water based on ab-initio quantum mechanical calculations. Furthermore, our results include both water flows external to CNTs and the behaviour of water nanodroplets inside heated CNTs. In the first case (external flows) the hydrophobic behaviour of CNTs is quantified and we analyze structural properties of water in the vicinity of CNTs with diagnostics such as hydrogen bond distribution, water dipole orientation and radial distribution functions. The presence of water leads to attractive forces between CNTs as a result of their hydrophobicity. Through extensive simulations we quantify these attractive forces in terms of the number and separation of the CNT. Results of our simulations involving arrays of CNTs indicate that these exhibit a hydrophobic behaviour that leads to self-organising structures capable of trapping water clusters. In the second case (internal flows) we study the behaviour of water droplets confined inside CNTs. Constant temperature simulations allow us to capture structural properties such as the contact angles and density profiles of the equilibrated drops. By heating and subsequently cooling of the CNT, we are able to measure the evaporation and the condensation rate of the entrapped water.

Jaffe, Richard L.↗
NASA NTRS1997

Studying Room Acoustics using a Monopole-Dipole Microphone Array

The use of a soundfield microphone for examining the directional nature of a room impulse response was reported recently. By cross-correlating monopole and co-located dipole microphone signals aligned with left-right, up-down, and front-back axes, a sense of signal direction of arrival is revealed. The current study is concerned with the array's ability to detect individual reflections and directions of arrival, as a function of the cross-correlation window duration. If is window is too long, weak reflections are overlooked; if too short, spurious detections result. Guidelines are presented for setting the window width according to perceptual criteria. Formulas are presented describing the accuracy with which direction of arrival can be estimated as a function of room specifics and measurement noise. The direction of arrival of early reflections is more accurately determined than that of later reflections which are quieter and more numerous. The transition from a fairly directional sound field at the beginning of the room impulse response to a uni-directional diffuse field is examined. Finally, it is shown that measurements from additional dipole orientations can significantly improve the ability to detect reflections and estimate their directions of arrival.

Begault, Durand R.↗
NASA NTRS1997

Dielectric Properties of Piezoelectric Polyimides

Molecular modeling and dielectric measurements are being used to identify mechanisms governing piezoelectric behavior in polyimides such as dipole orientation during poling, as well as degree of piezoelectricity achievable. Molecular modeling on polyimides containing pendant, polar nitrile (CN) groups has been completed to determine their remanent polarization. Experimental investigation of their dielectric properties evaluated as a function of temperature and frequency has substantiated numerical predictions. With this information in hand, we are then able to suggest changes in the molecular structures, which will then improve upon the piezoelectric response.

Ounaies, Z.↗
NASA NTRS2003

The sun and heliosphere at solar maximum

Recent Ulysses observations from the Sun's equator to the poles reveal fundamental properties of the three-dimensional heliosphere at the maximum in solar activity. The heliospheric magnetic field originates from a magnetic dipole oriented nearly perpendicular to, instead of nearly parallel to, the Sun'rotation axis. Magnetic fields, solar wind, and energetic charged particles from low-latitude sources reach all latitudes, including the polar caps. The very fast high-latitude wind and polar coronal holes disappear and reappear together. Solar wind speed continues to be inversely correlated with coronal temperature. The cosmic ray flux is reduced symmetrically at all latitudes.

magnetic field solar winds galactic cosmic rays↗
NASA NTRS1972

Vlf/elf radiation patterns of arbitrarily oriented electric and magnetic dipoles in a cold lossless multicomponent magnetoplasma.

With the use of a power integral formulation, a study is made of the vlf/elf radiation patterns of arbitrarily oriented electric and magnetic dipoles in a cold lossless multicomponent magnetoplasma. Expressions for the ray patterns are initially developed that apply for arbitrary values of driving frequency, static magnetic-field strength, plasma density, and composition. These expressions are subsequently specialized to vlf/elf radiation in a plasma modeled on the magnetosphere. A series of representative pattern plots are presented for frequencies between the proton and electron gyrofrequencies. These patterns illustrate the fact that focusing effects that arise from the geometrical properties of the refractive index surface tend to dominate the radiation distribution over the entire range from the electron gyrofrequency to 4.6 times the proton gyrofrequency. It is concluded that focusing effects should be of significant importance in the design of a vlf/elf satellite transmitting system in the magnetosphere.

Wang, T. N. C.↗
NASA NTRS1993

Theoretical characterization of the reaction CH3 +OH yields CH3OH yeilds products: The (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO channels

The potential energy surface (PES) for the CH3OH system has been characterized for the (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO product channels using complete-active-space self-consistent-field (CASSCF) gradient calculations to determine the stationary point geometries and frequencies followed by CASSCF/internally contracted configuration-interaction (CCI) calculations to refine the energetics. The (1)CH2 + H2O channel is found to have no barrier. The long range interaction is dominated by the dipole-dipole term, which orients the respective dipole moments parallel to each other but pointing in opposite directions. At shorter separations there is a dative bond structure in which a water lone pair donates into the empty a" orbital of CH2. Subsequent insertion of CH2 into an OH bond of water have barriers located at -5.2 kcal/mol and 1.7 kcal/mol, respectively, with respect to CH3 + OH. From comparison of the computed energetics of the reactants and products to known thermochemical data it is estimated that the computed PES is accurate to plus or minus 2 kcal/mol.

Walch, Stephen P.↗
NASA NTRS1993

Theoretical characterization of the reaction CH3 + OH yields CH3OH yields products - The (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO channels

The potential energy surface (PES) for the CH3OH system has been characterized for the (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO product channels using complete-active-space self-consistent-field (CASSCF) gradient calculations to determine the stationary point geometries and frequencies followed by CASSCF/internally contracted configuration-interaction (CCI) calculations to refine the energetics. The (1)CH2 + H2O channel is found to have no barrier. The long range interaction is dominated by the dipole-dipole term, which orients the respective dipole moments parallel to each other but pointing in opposite directions. At shorter separations there is a dative bond structure in which a water lone pair donates into the empty 'a' orbital of CH2. Subsequent insertion of CH2 into an OH bond of water have barriers located at -5.2 kcal/mol and 1.7 kcal/mol, respectively, with respect to CH3 + OH. From comparison of the computed energetics of the reactants and products to known thermochemical data it is estimated that the computed PES is accurate to plus or minus 2 kcal/mol.

Walch, Stephen P.↗
NASA NTRS1999

On Europa's Magnetospheric Interaction: A MHD Simulation of the E4 Flyby

The global three-dimensional interaction of Europa with the Jovian magnetosphere is modeled by using a complete set of ideal magnetohydrodynamic (MHD) equations. The model accounts for exospheric mass loading, ion-neutral charge exchange, recombination, and a possible intrinsic dipole magnetic field of Europa. The single-fluid MHD equations are solved by using a modem, finite volume, higher-order, Godunov-type method on an adoptively refined unstructured grid, which allows detailed modeling of the region near Europa while still resolving both the upstream region and the satellite's wake. The magnetic field and plasma density measured during Galileo's EGA flyby of December 19, 1996, are reproduced reasonably well in the simulation. We find the agreement between the data and our model particularly convincing if we assume that the plasma velocity during the EGA flyby deviated from the nominal corotation direction by approximately 20 deg. Evidence from the Galileo energetic particle detector also supports this assumption. In this case, we can fit the data using a dipole with orientation close to that of an induced dipole arising from the interaction of a hypothetical conducting subsurface layer on Europa with the periodically changing magnetic field of Jupiter. However, the magnitude of the dipole in our model is somewhat smaller (70%) than that suggested by Khurana et al. The total mass loading and ion-neutral charge exchange rates are consistent with the estimates of Europa's atmosphere and ionosphere.

Kabin, K.↗
DOE OSTI2020

Probing orientation-specific charge-dipole interactions between hexafluoroisopropanol and halides: A joint photoelectron spectroscopy and theoretical study

The interactions between hexafluoroisopropanol (HFIP) and halogen anions X? (F?, Cl?, Br?, and I?) have been investigated by negative ion photoelectron spectroscopy (NIPES) and ab initio calculations. The measured NIPE spectrum of each [HFIP·X]? (X = Cl, Br, and I) complex shows the identical pattern to the corresponding X? by shifting to the high electron binding energy side, indicative of formation of [HFIP···X?] structure, in which X? interacts with HFIP via charge-dipole interactions. However, the spectrum of [HFIP·F]? appears completely different from that of F?, and is more similar to the spectrum of the deprotonated HFIP anion (HFIP?H?). The geometry and electron density calculations indicate that a neutral HF molecule is formed upon HFIP interacting with F? via proton transfer, rendering a stable structure of [HFIP?H···HF]?. Two conformers of [HFIP?H·HF]? with HFIP being in synperiplanar and antiperiplanar configurations, respectively, are observed, providing direct experimental evidences to show the distinctly different and orientation-specific interactions between HFIP and halide anions.

Wang, Lei↗
DOE OSTI2024

Competing Intermolecular and Molecule–Surface Interactions: Dipole–Dipole-Driven Patterns in Mixed Carborane Self-Assembled Monolayers

Carboranedithiol isomers adsorbing with opposite orientations of their dipoles on surfaces are self-assembled together to form mixed monolayers where both lateral dipole–dipole and lateral thiol–thiolate (S–H···S) interactions provide enhanced stability over single-component monolayers. Here, we demonstrate the first instance of the ability to map individual isomers in a mixed monolayer using the model system carboranedithiols on Au{111}. The addition of methyl groups to one isomer provides both an enhanced dipole moment and extra apparent height for differentiation via scanning tunneling microscopy (STM). Associated computational investigations rationalize favorable interactions of mixed pairs and the associated stability changes that arise from these interactions. Both STM images and Monte Carlo simulations yield similarly structured mixed monolayers, where approximately 10% of the molecules have reversed dipole moment orientations but no direct chemical attachment to the surface, leading to homogeneous monolayers with no apparent phase separation. Deprotonating the thiols by depositing the molecules under basic conditions eliminates the lateral S–H···S interactions while accentuating the dipole–dipole forces. The molecular system investigated is composed of isomeric molecules with opposite orientations of dipoles and identical surface packing, which enables the mapping of individual molecules within the mixed monolayers and enables analyses of the contributions of the relatively weak lateral interactions to the overall stability of the assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗