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At least 433 records · Page 24

Investigation of SIR-B images for lithologic mapping

It is immediately apparent from the examination of almost any synthetic aperture radar (SAR) data that the radar return is primarily a function of the topographic relief. Yet radar reflectance is dependent on both surface roughness and the dielectric constant of the surface material. These two parameters can in many cases be related to lithologic units. Thus, if the first-order terrain effects due to topographic relief could (in essence) be removed from the radar image, the SAR data might well be used for lithologic discrimination. Such an approach is evaluated. Landsat Thematic Mapper data along with ground truth are used to define training cells that characterize the various lithologic units in the area. By aggregating the radar data for these cells, curves of radar reflectance versus local incidence are estimated. The curves are then used to classify the test area. The results are compared with lithologic classification based upon multi-spectral (visible and infrared) data.

Parr, J. T.↗

Dissociation and recombination of positive holes in minerals

The formation mechanisms are described of positive holes - electronic defects in the O2 sublattice - with attention given to detecting the positive surface charge of minerals with these holes. Charge distribution analysis (CDA) is presented which measures dielectric polarization in an inhomogeneous field. CDA can be applied to the detection of the peroxide/superoxide functionality caused by positive holes on the surface. It is demonstrated with obsidian that the measurements provide data on O(-) mobility as a function of surface-charge carrier density and on O(-) generation as a function of temperature.

Freund, Friedemann↗

Plasmon Resonances of Metal Nanoparticles in an Absorbing Medium

We study the behavior of plasmon resonances of metal nanospheres embedded in an absorbing medium. First-principles far-field computations based on the general Lorenz–Mie theory show that increasing absorption in the host medium broadens and suppresses plasmon resonances in the extinction and effective scattering efficiency factors and suppresses resonance features in the phase function. These effects of absorption are analogous to those on the morphology-dependent resonances of dielectric particles with large size parameters.

Mishchenko, Michael I.↗

3D Microwave Imaging of Impact Damage in Composites

This presentation presents the results of detecting impact damage in woven composites using a 3D microwave imaging system. The microwave results are compared to laser scanner results. After demonstrating the system on two composite samples, the multi-functionality of the system is discussed. They microwave systems ability to detect changes in permittivity of dielectrics is demonstrated by imaging RTV underneath space shuttle tiles, and the detection of sintered regolith simulant when buried in loose regolith simulant.

William (Cy) Wilson↗

Semiclassical model for calculating exciton and polaron pair energetics at interfaces

Exciton and polaron pair dissociation is a key functional aspect of photovoltaic devices. To improve upon the current state of interfacial transport models, we augment the existing classical models of dielectric interfaces by incorporating results from ab initio calculations, allowing us to calculate exciton and polaron binding energies more accurately. We demonstrate the predictive capabilities of this new model using two interfaces: (i) the boron subphthalocyanine chloride (SubPc) and C60 interface, which is an archetype for many organic photovoltaic devices; and (ii) pentacene and silicon (1 0 0), which represents a hybrid between organic and inorganic semiconductors. Overall, our calculations predict that the insertion of molecular dipoles at interfaces can be used for improving polaron pair dissociation and that sharp transitions in dielectric permittivity can have a stronger effect on the polaron pair dissociation than even the electron-hole Coulomb interaction.

36 MATERIALS SCIENCE↗

Understanding surfaces and interfaces in nanocomposites of silicone and barium titanate through experiments and modeling

Barium titanate (BTO) is a ferroelectric perovskite used in electronics and energy storage systems because of its high dielectric constant. Decreasing the BTO particle size was shown to increase the dielectric constant of the perovskite, which is an intriguing but contested result. We investigated this result by fabricating silicone-matrix nanocomposite specimens containing BTO particles of decreasing diameter. Furthermore, density functional theory modeling was used to understand the interactions at the BTO particle surface. Combining results from experiments and modeling indicated that polymer type, particle surface interactions, and particle surface structure can influence the dielectric properties of polymer-matrix nanocomposites containing BTO.

composite↗

Molecular-Scale Characterization of Photoinduced Charge Separation in Mixed-Dimensional InSe–Organic van der Waals Heterostructures

Layered indium selenide (InSe) is an emerging two-dimensional semiconductor that has shown significant promise for high-performance transistors and photodetectors. The range of optoelectronic applications for InSe can potentially be broadened by forming mixed-dimensional van der Waals heterostructures with zero-dimensional molecular systems that are widely employed in organic electronics and photovoltaics. Here, we report the spatially resolved investigation of photoinduced charge separation between InSe and two molecules (C 70 and C 8 -BTBT) using scanning tunneling microscopy combined with laser illumination. We experimentally and computationally show that InSe forms type-II and type-I heterojunctions with C 70 and C 8 -BTBT, respectively, due to an interplay of charge transfer and dielectric screening at the interface. Laser-excited scanning tunneling spectroscopy reveals a ~0.25 eV decrease in the energy of the lowest unoccupied molecular orbital of C 70 with optical illumination. Furthermore, photoluminescence spectroscopy and Kelvin probe force microscopy indicate that electron transfer from InSe to C 70 in the type-II heterojunction induces a photovoltage that quantitatively matches the observed downshift in the tunneling spectra. In contrast, no significant changes are observed upon optical illumination in the type-I heterojunction formed between InSe and C 8 -BTBT. Density functional theory calculations further show that, despite the weak coupling between the molecular species and InSe, the band alignment of these mixed-dimensional heterostructures strongly differs from the one suggested by the ionization potential and electronic affinities of the isolated components. Self-energy-corrected density functional theory indicates that these effects are the result of the combination of charge redistribution at the interface and heterogeneous dielectric screening of the electron–electron interactions in the heterostructure. In addition to providing specific insight for mixed-dimensional InSe–organic van der Waals heterostructures, this work establishes a general experimental methodology for studying localized charge transfer at the molecular scale that is applicable to other photoactive nanoscale systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dielectrophoresis-Based Particle Sensor Using Nanoelectrode Arrays

A method has been developed for concentrating, or partly separating, particles of a selected species from a liquid or gas containing these particles, and flowing in a channel. An example of this is to promote an accumulation (and thus concentration) of the selected particle (e.g., biological species such as E. coli, salmonella, anthrax, tobacco mosaic virus or herpes simplex, and non-biological materials such as nano- and microparticles, quantum dots, nanowires, nano - tubes, and other inorganic particles) adjacent to the first surface. Additionally, this method can also determine if the particle species is present in the liquid. This is accomplished by providing an insulating material in an interstitial volume between two or more adjacent nanostructure electrodes. It can also be accomplished by providing a functionalizing substance, located on a selected region of the insulating material surface, which promotes attachment of the selected species particles to the functionalized surface, and measuring a selected electrical property such as electrical impedance, conductance, or capacitance. A time-varying electrical field E, having a root-mean-square intensity of E(sup 2) rms, with a non-zero gradient in a direction transverse to the liquid or fluid flow direction, is produced by a nanostructure electrode array with a very high-magnitude gradient near exposed electrode tips. A dielectrophoretic force causes the selected particles to accumulate near the electrode tips, if the medium and selected particles have substantially different dielectric constants. An insulating material surrounds most of the nanostructure electrodes, and a region of the insulating material surface is functionalized to promote attachment of the selected particle species to the surface. An electrical property value Z(meas) is measured at the functionalized surface, and is compared with a reference value Z(ref) to determine if the selected species particles are attached to the functionalized surface. Some advantages of this innovation are that an array of nanostructure electrodes can provide an electric field intensity gradient that is one or more orders of magnitude greater than the corresponding gradient provided by a conventional microelectrode arrangement, and that, as a result of the high-magnitude field intensity gradients, a nanostructure concentrator can trap particles from high-speed microfluidic flows. This is critical for applications where the entire analysis must be performed in a few minutes

Li, Jun↗

On the Dielectric Properties of the Martian-like Surface Sediments

We have undertaken laboratory electromagnetic characterization of the total set of minerals identified by TES on the Martian surface in order to investigate experimentally the dielectric properties of the sediments covering it in the frequency range from 1 to 30 MHz. Volcanic Rocks with a well defined mineralogy and petrology from potential terrestrial analogues sites have also been included in the study. Our primary objective is to evaluate the range of electrical and magnetic losses that may be encountered by the various Radar sounding and imaging experiments dedicated to map the Martian subsurface searching for underground water. The electromagnetic properties of these Mars-like materials will be presented as a function of various geophysical parameters, such as porosity, bulk density and temperature. The secondary objective, is to locate regions were surface dielectric conditions are suitable for subsurface sounding.

Heggy, E.↗

PyOECP: A flexible open-source software library for estimating and modeling the complex permittivity based on the open-ended coaxial probe (OECP) technique

Here, we present PyOECP, a Python-based flexible open-source software for estimating and modeling the complex permittivity obtained from the open-ended coaxial probe (OECP) technique. The transformation of the measured reflection coefficient to complex permittivity is performed based on three different methods. The software library contains the dielectric spectra of common reference liquids, which can be used to transform the reflection coefficient into the dielectric spectra. Several Python routines that are commonly employed (e.g., SciPy and NumPy) in the field of science and engineering are required only so that the users can alter the software structure depending on their needs. The modeling algorithm exploits the Markov Chain Monte Carlo method for the data regression. The discrete relaxation models can be built by a proper combination of well-known relaxation models. In addition to these models, electrode polarization, a typical measurement artifact for interpreting dielectric spectra, can be incorporated into the modeling algorithm. A continuous relaxation model, which solves the Fredholm integral equation of the first kind (a mathematically ill-posed problem), is also included. This open-source software enables users to freely adjust the physical parameters to obtain physical insight into their materials under test and will be consistently updated for more accurate measurement and interpretation of dielectric spectra in an automated manner. This work describes the theoretical and mathematical background of the software, lays out the workflow, and validates the software functionality based on both synthetic and empirical data included in the software.

97 MATHEMATICS AND COMPUTING↗

Nanoporous gold nanoleaf as tunable metamaterial

Abstract We have studied optical properties of single-layer and multi-fold nanoporous gold leaf (NPGL) metamaterials and observed highly unusual transmission spectra composed of two well-resolved peaks. We explain this phenomenon in terms of a surface plasmon absorption band positioned on the top of a broader transmission band, the latter being characteristic of both homogeneous “solid” and inhomogeneous “diluted” Au films. The transmission spectra of NPGL metamaterials were shown to be controlled by external dielectric environments, e.g. water and applied voltage in an electrochemical cell. This paves the road to numerous functionalities of the studied tunable and active metamaterials, including control of spontaneous emission, energy transfer and many others.

36 MATERIALS SCIENCE↗

Decoupling plasma, catalyst, and gaseous mechanisms for non-oxidative methane conversion

Direct non-oxidative methane (CH 4 ) conversion to value-added hydrogen (H 2 ) and C 2 products remains hindered by fundamental catalytic scaling constraints and rapid surface deactivation at elevated temperatures. Plasma-enabled catalysis offers a promising route to overcome the thermodynamic and kinetic barriers of direct non-oxidative methane upgrading at mild conditions, yet control over C–C product selectivity and catalyst stability remains elusive. Here, we establish a unified mechanistic framework including Langmuir–Hinshelwood (L–H) and Langmuir–Rideal (L–R) mechanisms that disentangles the roles of plasma excitation (including vibrationally activated species and radicals), surface temperature (T sur ), and catalyst binding energy in steering CH 4 conversion to H 2 and C 2 hydrocarbons. Through a combination of density functional theory (DFT) informed microkinetic modeling, in situ and ex situ surface characterization, and product quantification under dielectric barrier discharge conditions, we show that vibrationally excited CH 4 lowers activation barriers selectively for dissociative chemisorption, enabling surface activation across a wide range of transition metal catalysts at low thermal energy input. We find that once CH 4 is dissociatively chemisorbed, the branching between C 2 H 2 , C 2 H 4 , and C 2 H 6 is governed by surface properties (carbon binding energy, T sur , etc), regardless of plasma excitation. The DFT informed microkinetic model decouples the effects of molecular activation from surface properties and indentifies operating windows that maximize target yields while suppressing carbon accumulation and subsequent catalytic inactivation. Experiments on polycrystalline Cu/Al 2 O 3 , Ni/Al 2 O 3 , and Pt/Al 2 O 3 validate these predictions, revealing catalyst-dependent branching toward ethane or ethylene and distinct deactivation profiles. We unify these trends into a generalized three-dimensional plasma-thermal-catalytic design space, from which reduced descriptors such as T vib /T sur in the limit of vibrationally excited L–H pathways emerge as predictive metrics. These results enable rational tuning of methane conversion pathways and unlock selective C 2 formation using earth-abundant metals under mild plasma conditions.

catalyst inactivation↗

From Structured Solvents to Hybrid Materials (SS2HM) for Chemically Selective Capture and Electromagnetic Release of CO 2 : Mechanisms, Stability and Interfaces (Final Report)

The goal of this research program was to develop high capacity sorbents amenable for alternative regeneration approaches for direct air capture (DAC) of CO 2 . In particular, the research aimed to develop an understanding of CO 2 binding mechanism, thermal and oxidative stability, and regeneration energetics of functionalized ionic liquids (ILs), deep eutectic solvents (DESs), and porous materials. ILs and DESs are high-dielectric solvents with structural tunability that permits the rational-design for energy-efficient regeneration approaches based on electromagnetic (EM) field and moisture-swing. By further incorporating these solvents into polymeric capsules and other structural supports, multi-scale interfaces for targeted CO 2 and energy transfers were achieved. Aspects related to CO 2 capacity, selectivity, stability, dielectric properties, and binding energies were examined through experimental and computational design to identify molecular descriptors to inform future design of structured solvents and hybrid materials for DAC. Enclosed final report details the key findings, science advancements, and workforce development efforts from this project.

36 MATERIALS SCIENCE↗

Scattering from arbitrarily shaped microstrip patch antennas

The scattering properties of arbitrarily shaped microstrip patch antennas are examined. The electric field integral equation for a current element on a grounded dielectric slab is developed for a rectangular geometry based on Galerkin's technique with subdomain rooftop basis functions. A shape function is introduced that allows a rectangular grid approximation to the arbitrarily shaped patch. The incident field on the patch is expressed as a function of incidence angle theta(i), phi(i). The resulting system of equations is then solved for the unknown current modes on the patch, and the electromagnetic scattering is calculated for a given angle. Comparisons are made with other calculated results as well as with measurements.

Shively, David G.↗

Measurement of trap density in dielectric film

Method uses basic circuit to examine quality and trap density of film used in insulated gate field effect transistors. Data are measured as function of performance and life expectancy.

Guisinger, J. E.↗

End block dynamics in unentangled polymers by dielectric spectroscopy

Dielectric spectroscopy measures the dynamics of polymer melts over a broad frequency range. Developing a theory for the spectral shape can extend the analysis of dielectric spectra beyond determining relaxation times from the peak maxima and adds physical meaning to shape parameters determined with empirical fit functions. Toward this goal, we use the experimental results on unentangled poly(isoprene), and unentangled poly(butylene oxide), polymer melts, to test whether the concept of end blocks could be one reason for the Rouse model deviating from experimental data. These end blocks have been suggested by simulations and neutron spin echo spectroscopy and are a consequence of the monomeric friction coefficient depending on the position of the bead in the chain. The concept of an end block is an approximation which partitions the chain in a middle and two end blocks to avoid overparameterization by a continuous position dependent change of the friction parameter. Analysis of dielectric spectra shows that the deviations of the calculated from the experimental normal mode cannot be related to the end block relaxation. However, the results do not contradict an end block hiding below the segmental relaxation peak. Finally, it seems that the results are compatible with an end block being the specific part of the sub-Rouse chain interpretation close to the chain ends.

36 MATERIALS SCIENCE↗

A Reliability Model for Ni-BaTiO3-Based (BME) Ceramic Capacitors

The evaluation of multilayer ceramic capacitors (MLCCs) with base-metal electrodes (BMEs) for potential NASA space project applications requires an in-depth understanding of their reliability. The reliability of an MLCC is defined as the ability of the dielectric material to retain its insulating properties under stated environmental and operational conditions for a specified period of time t. In this presentation, a general mathematic expression of a reliability model for a BME MLCC is developed and discussed. The reliability model consists of three parts: (1) a statistical distribution that describes the individual variation of properties in a test group of samples (Weibull, log normal, normal, etc.), (2) an acceleration function that describes how a capacitors reliability responds to external stresses such as applied voltage and temperature (All units in the test group should follow the same acceleration function if they share the same failure mode, independent of individual units), and (3) the effect and contribution of the structural and constructional characteristics of a multilayer capacitor device, such as the number of dielectric layers N, dielectric thickness d, average grain size r, and capacitor chip size S. In general, a two-parameter Weibull statistical distribution model is used in the description of a BME capacitors reliability as a function of time. The acceleration function that relates a capacitors reliability to external stresses is dependent on the failure mode. Two failure modes have been identified in BME MLCCs: catastrophic and slow degradation. A catastrophic failure is characterized by a time-accelerating increase in leakage current that is mainly due to existing processing defects (voids, cracks, delamination, etc.), or the extrinsic defects. A slow degradation failure is characterized by a near-linear increase in leakage current against the stress time; this is caused by the electromigration of oxygen vacancies (intrinsic defects). The two identified failure modes follow different acceleration functions. Catastrophic failures follow the traditional power-law relationship to the applied voltage. Slow degradation failures fit well to an exponential law relationship to the applied electrical field. Finally, the impact of capacitor structure on the reliability of BME capacitors is discussed with respect to the number of dielectric layers in an MLCC unit, the number of BaTiO3 grains per dielectric layer, and the chip size of the capacitor device.

reliability↗

Nitride-Oxide-Metal Heterostructure with Self-Assembled Core–Shell Nanopillar Arrays: Effect of Ordering on Magneto-Optical Properties

Magneto-optical (MO) coupling incorporates photon-induced change of magnetic polarization that can be adopted in ultrafast switching, optical isolators, mode convertors, and optical data storage components for advanced optical integrated circuits. However, integrating plasmonic, magnetic, and dielectric properties in one single material system poses challenges since one natural material can hardly possess all these functionalities. Here, co-deposition of a three-phase heterostructure composed of a durable conductive nitride matrix with embedded core–shell vertically aligned nanopillars, is demonstrated. Additionally, the unique coupling between ferromagnetic NiO core and atomically sharp plasmonic Au shell enables strong MO activity out-of-plane at room temperature. Further, a template growth process is applied, which significantly enhances the ordering of the nanopillar array. The ordered nanostructure offers two schemes of spin polarization which result in stronger antisymmetry of Kerr rotation. The presented complex hybrid metamaterial platform with strong magnetic and optical anisotropies is promising for tunable and modulated all-optical-based nanodevices.

36 MATERIALS SCIENCE↗