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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Ab-initio predictions of phase stability, electronic structure, and optical properties of (0001)-MAX surfaces in M 2 AC (M = Cr, Zr, Hf; A = Al, Ga)

In this work, we report MAX phases' surface properties, which are essential for thin-film technology due to their excellent resistance to high-temperature oxidation, corrosion, and wear. The surface stability, electronic, and optical properties of 0001-surfaces in M 2 AC (M = Zr, Hf, Cr; A = Al, Ga) are investigated and compared with their bulk counterparts. The interplay between chemical bonding and charge distribution is discussed from electronic structure, including the Fermi surfaces. Four possible (0001)-terminated surfaces are considered by breaking M - C and M-A bonds in which cleavage energy of M - C is higher than M-A. The Cr–Al bond in Cr 2 AlC is stronger than other M-A bonds. The charge density of valance A-p electrons redistributes in the surface area, distinct from that of the bulk. The A- and M(C)-terminated (0001)-surfaces are the most stable and energetically favorable terminations due to lower surface energies. The optical properties of the most stable (0001)-surfaces were also investigated to understand the dielectric and photoconductive behavior in the (0001)-terminated surfaces of M 2 AC.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Electrical properties of lunar soil dependence on frequency, temperature and moisture.

It was found that the dielectric constant and loss tangent of lunar soil samples in the range from 100 Hz to 1 MHz are not strongly dependent on frequency provided care is taken to avoid exposure of the sample to atmospheric air containing moisture. The loss tangent value obtained is lower by nearly a factor 10 than any previously reported value. The measurement data imply that the surface layers of the moon are probably extremely transparent to radiowaves.

Strangway, D. W.↗
NASA NTRS1989

Materials properties numerical database system established and operational at CINDAS/Purdue University

A computerized comprehensive numerical database system on the mechanical, thermophysical, electronic, electrical, magnetic, optical, and other properties of various types of technologically important materials such as metals, alloys, composites, dielectrics, polymers, and ceramics has been established and operational at the Center for Information and Numerical Data Analysis and Synthesis (CINDAS) of Purdue University. This is an on-line, interactive, menu-driven, user-friendly database system. Users can easily search, retrieve, and manipulate the data from the database system without learning special query language, special commands, standardized names of materials, properties, variables, etc. It enables both the direct mode of search/retrieval of data for specified materials, properties, independent variables, etc., and the inverted mode of search/retrieval of candidate materials that meet a set of specified requirements (which is the computer-aided materials selection). It enables also tabular and graphical displays and on-line data manipulations such as units conversion, variables transformation, statistical analysis, etc., of the retrieved data. The development, content, accessibility, etc., of the database system are presented and discussed.

Ho, C. Y.↗
NASA NTRS2003

Micro-optical Distributed Sensors for Aero Propulsion Applications

The objective of this research is to develop micro-opto-mechanical system (MOMS)-based sensors for time- and space-resolved measurements of flow properties in aerodynamics applications. The measurement technique we propose uses optical resonances in dielectric micro-spheres that can be excited by radiation tunneling from optical fibers. It exploits the tunneling-induced and morphology-dependent shifts in the resonant frequencies. The shift in the resonant frequency is dependent on the size, shape, and index of refraction of the micro-sphere. A physical change in the environment surrounding a micro-bead can change one or more of these properties of the sphere thereby causing a shift in frequency of resonance. The change of the resonance frequency can be detected with high resolution by scanning a frequency-tunable laser that is coupled into the fiber and observing the transmission spectrum at the output of the fiber. It is expected that, in the future, the measurement concept will lead to a system of distributed micro-sensors providing spatial data resolved in time and space. The present project focuses on the development and demonstration of temperature sensors using the morphology-dependent optical resonances although in the latter part of the work, we will also develop a pressure sensor. During the period covered in this report, the optical and electronic equipment necessary for the experimental work was assembled and the experimental setup was designed for the single sensor temperature measurements. Software was developed for real-time tracking of the optical resonance shifts. Some preliminary experiments were also carried out to detect temperature using a single bead in a water bath.

Arnold, S.↗
DOE OSTI2021

All-Atom Molecular Dynamics Simulations of the Temperature Response of Densely Grafted Polyelectrolyte Brushes

Water acts a “good” solvent for most polyelectrolyte (PE) systems due to its high dielectric strength. Theoretical and experimental studies have highlighted some remarkably unconventional properties of strongly water-swollen PE brushes such as a reduction in brush height with increase in temperature. However, an understanding of the atomistic-scale response of the grafted PE chains as well as the local arrangement and organization of the brush-supported counterions and water molecules to changes in temperature is missing. Here, we conduct an all-atom molecular dynamics (MD) study to probe the influence of temperature on the “microstructure” of densely grafted, fully ionized polyacrylic acid (PAA) brushes. The atomistic insights obtained from our study shed light on prior experimental observations and elucidate the key role played by changes in hydrogen bonding network in dictating the hydrophilicity of the brushes. In addition to the temperature-mediated reduction in height of the PE brush layer, we study the influence of temperature on several properties of the brush-supported water molecules such as the number distribution and kinetics of water-water and water-PE hydrogen bonds (HBs), mass density, orientational tetrahedral order parameter, and the activation energy associated with the self-diffusion of water. The effect of temperature on the properties of the brush-trapped counterions is also quantified via changes in their solvation structure, counterion-water radial distribution function (RDF), and the translational mobility. Our findings unravel several hitherto unknown phenomena such as the enhanced propensity for attaining PE brush-induced “water-in-salt”-like scenarios at elevated temperatures, and an increase in the activation energy for the self-diffusion of water with increase in the degree of PE brush-induced nanoconfinement (from ‘bulk water’ to ‘sparsely grafted PE brushes’ to ‘densely grafted PE brushes’). Further, we anticipate that this work will be helpful in improving our predictive capabilities of the temperature response of water-swollen PE brushes, which would be instrumental for better design of several PE brush systems used in a multitude of applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Encapsulation of Monolayer 2D Materials Using Kinetic Energy-Controlled Pulsed Laser Deposition

The integration of monolayer (ML) two-dimensional (2D) materials into next-generation microelectronics, optoelectronics, and sensors is hindered by their sensitivity to environmental exposure. Deposition of additional layers for encapsulation or growth on ML 2D materials by versatile but energetic plasma techniques such as pulsed laser deposition (PLD) has not been considered at the monolayer level because of potential damage caused by hyperthermal species with kinetic energies (KEs) exceeding the threshold displacement energy (TDE) of the ML. Here, we describe a general strategy to understand and mitigate damage during PLD by reducing the incident KE of ablated species below the TDE of the 2D monolayer using background gas collisions. Ion flux diagnostics, combined with in situ Raman spectroscopy of monolayer graphene during PLD of amorphous boron nitride (a-BN) as a dielectric encapsulation layer, show that damage is primarily correlated with fast ions that penetrate the background gas in accordance with Beer’s Law and are often overlooked in ICCD imaging due to the dominance of the bright, delayed plasma luminescence. Significantly, if fast ions are eliminated and a ∼2 nm-thick a-BN layer is “soft landed”, the monolayer graphene is effectively protected from damage by high KE species in the boron nitride plasma plume. Deposited a-BN films display a characteristic dielectric constant of 3.6 at 100 kHz and tunable charge injection properties. Our results enable PLD as a viable option for encapsulation and thin film growth onto ML 2D materials, with implications for both fundamental research and device integration.

2D materials↗
DOE OSTI2026

Aluminum Based Solvent-Free Organic–Inorganic Hybrid Materials

In emerging materials, molecular hybrids are especially promising, as they have molecular level mixing of the organic and inorganic components, producing homogeneous materials without interfaces that can deteriorate properties. However, the current methods of manufacturing molecular hybrids are based on solution processing, which is impractical for bulk materials such as may be used for optically clear radiation and electromagnetic shielding components or photonics. Here we examine molecular hybrids composed of aluminum isopropoxide (AIP) and epoxy resins aiming to understand the molecular scale chemistry and manufacturability of these hybrid materials. DSCmonitored cure revealed the ideal cure temperature for these materials is 160−170 °C and demonstrated that an AIP concentration of 16.7 wt % maximizes the extent of reaction. Kinetic analysis of the curing reaction showed the Sestak−Berggren autocatalytic model is effective at temperatures over 140 °C but the reaction has diffusion limitations at a temperature of 120 °C. Mechanical testing with custom resin molds revealed a decrease in properties of the bulk samples with increasing AIP content due to an increase in defects but further testing with nanoindentation demonstrated comparable or improved mechanical properties of AIP-epoxy hybrids compared to epoxy resin with a standard hardener. Ultimately, this work lays the foundation for hardener-free epoxy-aluminum inorganic/organic hybrids and presents opportunities to expand on properties for specific applications such as thermal conductivity, optical clarity, and dielectric constant.

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

Understanding the chemical contribution to the enhancement mechanism in SERS: Connection with Hammett parameters

The enhancement mechanism due to the molecule-surface chemical interaction in surface-enhanced Raman scattering (SERS) has been characterized using a theoretical approach based on time dependent density functional theory. This includes a systematic study of the chemical mechanism (CM) to the SERS enhancement for halogen substituted benzenethiols interacting with a silver cluster. Changing the halogen on benzenethiol enables us to systematically modulate interactions between the benzenethiol ring and the metal cluster. We observe a decrease in the CM enhancement factor with an increase in atomic number of the halogen for para- substitutions. For meta- substitutions, there is no such trend. However, the results scale linearly with the Hammett parameters for both meta and para halogens, which provides an important predictive tool for interpreting chemical enhancements. We also study the effect of solvation on the CM, showing that there is a systematic increase in enhancement with increasing solvent dielectric constant. As a result, the correlation of CM with other properties, such as the amount of charge transfer between adsorbate and metal, or the excitation energies of charge transfer states, is much less predictive than the Hammett parameter correlation.

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

Second-harmonic and linear spectroscopy of $\textit{α}$-In 2 Se 3

We report spectroscopic measurements of optical transmission, ellipsometry, and second-harmonic generation (SHG) from as-grown vapor-deposited $\textit{α}$-In 2 Se 3 nanoflakes ranging in thickness from a single quintuple layer (QL) to bulk material. In this work, we compare these measurements with ab initio calculations of structural and optical properties. Linear optical measurements yield thickness-dependent band gaps and dielectric functions, while SHG diagnoses microscopic film structure and ferroelectric polarization. The rotational anisotropy of SHG for s-polarized incident photons of energy 1.4 eV reveals crystalline symmetry and orientation of individual QLs. Peak SHG intensity increases from one to three QLs, then decreases for larger numbers, tracking thickness-dependent trends in the second-order susceptibility components $χ^{xxx}$ and $χ^{zxx}$. Comparison of measured and calculated SHG spectra for s-polarized photons of energies between 1.2 and 1.7 eV incident upon two QL samples discriminates among candidate stacking arrangements, and favors an arrangement with electric polarization vectors of the two QLs pointing outward in opposite directions.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Application of dielectric constant measurements to radar imagery interpretation

A ground-truth scheme is briefly outlined, specifically, the measurement of the dielectric constant. Two portable instruments were designed specifically for this purpose: a Q-meter for measurement of dielectric constant and loss tangent, and an instrument to measure electrical properties of the two operating frequencies of the imaging radar. Several general cases of radar-earth surfaces interaction are described; also, examples of radar imagery and some data on ice and snow are presented.

Bryan, M. L.↗
NASA NTRS1989

Standard Method For Radiation Tests Of Liquids

Simple procedure provides standard method for radiation tests of liquids. Assures identical handling and dosage so data from different test laboratories compared reliably. Pair of glass vials, joined by frangible neck and equipped with valves, used. Third vial also used. Filled with control specimen and not irradiated. Developed for measuring properties of liquids for use in radiation-resistant liquid-dielectric capacitors, procedure used for any of variety of liquids proposed for use in high-radiation environment - in x-ray and particle-accelerating machines and nuclear reactors, for example.

Bouquet, Frank L.↗
NASA NTRS1992

Monitoring environmental state of Alaskan forests with AIRSAR

During March 1988 and May 1991, the JPL airborne synthetic aperture radar, AIRSAR, collected sets of multi-temporal imagery of the Bonanza Creek Experimental Forest near Fairbanks, Alaska. These data sets consist of series of multi-polarized images collected at P-, L-, and C-bands each over a period of a few days. The AIRSAR campaigns were complemented with extensive ground measurements that included observations of both static canopy characteristics such as forest architecture as well as properties that vary on short term time scales such as canopy dielectric conditions. Observations exist for several stands of deciduous and coniferous species including white spruce (Picea glauca), black spruce (Picea mariana), and balsam poplar (Populus balsamifera). Although the duration of each campaign was fairly short, significant changes in environmental conditions caused notable variations in the physiological state of the canopies. During the 1988 campaign, environmental conditions ranged from unseasonably warm to more normal subfreezing temperatures. This permitted AIRSAR observations of frozen and thawed canopy states. During May 1991, ice jams that occurred along the river caused many stands to flood while the subsequent clearing of the river then allowed the waters to recede, leaving a snow covered ground surface. This allowed observations of several stands during both flooded and nonflooded conditions. Furthermore, the local weather varied from clear sunny days to heavy overcast days with some occurrence of rain. Measurements of leaf water potential indicated that this caused significant variations in canopy water status, allowing SAR observations of water stressed and unstressed trees. Mean backscatter from several stands is examined for the various canopy physiological states. The changes in canopy backscatter that occur as a function of environmental and physiological state are analyzed. Preliminary results of a backscatter signature modeling analysis are presented. The implications of using SAR to monitor canopy phenological state are addressed.

Mcdonald, Kyle C.↗
NASA NTRS1993

Guide to Magellan image interpretation

An overview of Magellan Mission requirements, radar system characteristics, and methods of data collection is followed by a description of the image data, mosaic formats, areal coverage, resolution, and pixel DN-to-dB conversion. The availability and sources of image data are outlined. Applications of the altimeter data to estimate relief, Fresnel reflectivity, and surface slope, and the radiometer data to derive microwave emissivity are summarized and illustrated in conjunction with corresponding SAR image data. Same-side and opposite-side stereo images provide examples of parallax differences from which to measure relief with a lateral resolution many times greater than that of the altimeter. Basic radar interactions with geologic surfaces are discussed with respect to radar-imaging geometry, surface roughness, backscatter modeling, and dielectric constant. Techniques are described for interpreting the geomorphology and surface properties of surficial features, impact craters, tectonically deformed terrain, and volcanic landforms. The morphologic characteristics that distinguish impact craters from volcanic craters are defined. Criteria for discriminating extensional and compressional origins of tectonic features are discussed. Volcanic edifices, constructs, and lava channels are readily identified from their radar outlines in images. Geologic map units are identified on the basis of surface texture, image brightness, pattern, and morphology. Superposition, cross-cutting relations, and areal distribution of the units serve to elucidate the geologic history.

Ford, John P.↗
NASA NTRS1994

Effective conductivity of wire mesh reflectors for space deployable antenna systems

This report summarizes efforts to characterize the measurement of conductive mesh and smooth surfaces using proximity measurements for a dielectric resonator. The resonator operates in the HEM11 mode and is shown to have an evanescent field behavior in the vicinity of the sample surface, raising some question to the validity of measurements requiring near normal incidence on the material. In addition, the slow radial field decay outside of the dielectric resonator validates the sensitivity to the planar supporting structure and potential radiation effects. Though these concerns become apparent along with the sensitivity to the gap between the dielectric and the material surface, the basic concept of the material measurement using dielectric resonators has been verified for useful comparison of material surface properties. The properties, particularly loss, may be obtained by monitoring the resonant frequency along with the resonator quality factor (Q), 3 dB bandwidth, or the midband transmission amplitude. Comparison must be made to known materials to extract the desired data.

Davis, William A.↗
NASA NTRS1994

A 3M high temperature dielectric film

The performance characteristics of a dielectric film are summarized. Additionally, the film's environmental and chemical properties are listed: low shrinkage to 300 C; moisture insensitive; low outgassing under vacuum; excellent surface qualities--easy metallization of film; flame retardant; and low smoke generation. A series of graphs that display the performance characteristics of the film are also presented.

Hampl, Edward, Jr.↗
NASA NTRS1994

An electromagnetic noncontacting sensor for thickness measurement in a dispersive medium

This paper describes a general purpose imaging technology developed by the U.S. Bureau of Mines (USBM) that, when fully implemented, will solve the general problem of 'seeing into the earth.' A first-generation radar coal thickness sensor, the RCTS-1, has been developed and field-tested in both underground and highwall mines. The noncontacting electromagnetic technique uses spatial modulation created by moving a simple sensor antenna in a direction along each axis to be measured while the complex reflection coefficient is measured at multiple frequencies over a two-to-one bandwidth. The antenna motion imparts spatial modulation to the data that enables signal processing to solve the problems of media, target, and antenna dispersion. Knowledge of the dielectric constant of the media is not necessary because the electrical properties of the media are determined automatically along with the distance to the target and thickness of each layer of the target. The sensor was developed as a navigation guidance sensor to accurately detect the coal/noncoal interface required for the USBM computer-assisted mining machine program. Other mining applications include the location of rock fractures, water-filled voids, and abandoned gas wells. These hazards can be detected in advance of the mining operation. This initiating technology is being expanded into a full three-dimensional (3-D) imaging system that will have applications in both the underground and surface environment.

Chufo, Robert L.↗
NASA NTRS1992

Comparison of Goldstone and Magellan radar data in the equatorial plains of Venus

Goldstone radar observations of the equatorial plains of Venus provide complementary information to that obtained by Magellan. Different radar scattering mechanisms dominate each system, leading to sampling of different surface properties. Comparison of image data and derived parameters indicate that: (1) relatively high dielectric constants on impact-related parabolic features are detected in Goldstone backscatter, Magellan reflectivity, and Magellan emissivity data; the dielectric effects are overwhelmed by roughness-related signatures in Magellan synthetic aperture radar (SAR) data; (2) lava flows in Navka Planitia show dielectric variations both among and within flows; higher dielectric constants on the perimeter of some flows may by due to a decrease in vesicularity; (3) some volcanic domes are relatively smooth at the wavelength scale and probably consist of low-density deposits; (4) comparisons of Magellan SAR data with rough surface scattering models and SAR data of terrestrial surfaces indicate that the roughness characteristics of the equatorial plains surfaces are comparable to modified terrestrial lava flows; and (5) scattering properties of an equatorial 'ridge belt' structure suggest highly weathered or soil-dominated surfaces.

Plaut, Jeffrey J.↗