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At least 289 records · Page 16

Optoelectronic properties of bent two-dimensional materials from first-principles methods combined with machine learning

A material’s interaction with light is highly relevant in the design of nanoelectronic devices such as photodiodes, solar cells, photocatalytic cells, phototransistors, and photodetectors. The interaction of a material with light can be altered by mechanical deformation. Fine tuning of the optical properties can be achieved by mechanical bending that alters the electronic structure. Optical properties strongly depend on band gaps, therefore any alteration in the band structure results in a changed optical response of the material. The impact of bending was explored in this project. The goal of this project was to assess the impact of mechanical bending of two-dimensional transition metal dichalcogenides on their optoelectronic properties, using first-principles methods. These first-principles approximations are largely built upon many-body theory for the optical properties of magnetic and topological nanoribbons. GW-BSE is standard for optical absorption, but it is less practical for collective excitations as it was shown in model systems. Time-dependent density functional theory, however, has better promises for collective excitations in low-dimensional materials.

36 MATERIALS SCIENCE↗

Gas Surface Interactions Occurring on Materials Within Ultrahigh Vacuum

The physical adsorption of nitrogen on the chemically cleaned surfaces of Pyrex, 347 stainless steel and polycrystalline nickel was investigated over the pressure range 1 x 10 to the minus 12th power to 3 x 10 to the minus 7th power torr and for temperatures 77.4 and 87.4 K. The adsorption data were linearized by the Dubinin-Radushkevich equation. The metal surfaces were cleaned by electron impact desorption (EID) and the desorbed gases analyzed by mass spectrometry. Work function measurements were also used to indicate changes in the surface condition following an EID dose. At least a monolayer of gas was observed to desorb from the metal surfaces. The isotherms revealed that the metal surfaces were very heterogeneous and that the Pyrex surface had been leached. The calculated isosteric heats of adsorption indicated that the relative order of the physical binding of nitrogen to the solids was 347 stainless steel Pyrex nickel. A relationship was observed to exist in the dynamic technique between the equilibration time and the pressure above the absorbed layer. The slope of the log-log plot of these parameters was found to be sensitive to the surface heterogeneity and may be related to the activation energy for surface diffusion of physically absorbed molecules.

Outlaw, R. A.↗

Quantitative ultrasonic evaluation of engineering properties in metals, composites, and ceramics

Ultrasonic techniques that have demonstrated potential for material characterization are reviewed. These techniques rely on physical acoustic properties of materials and the interaction of elastic stress waves with morphological factors in the ultrasonic regime. The speed of wave propagation and energy loss by interaction with material microstructure and geometrical factors underlie ultrasonic determination of material properties. Two categories of ultrasonic measurements are discussed: those related to material strengths (e.g., elastic moduli, tensile strength, and fracture toughness) and those related to morphology and material conditions that govern strength and performance (e.g., microstructure, void content, residual stress, fatigue damage). It is shown that large-scale industrial application of ultrasonic NDE will depend on advancement in such areas as theory development, instrumentation, system automation, standardization, and coordination with design.

Vary, A.↗

Space radiation interaction mechanisms in materials

Models of charged-particle impact under conditions typical of the space environment are reported, with a focus on impact excitation and nuclear reactions, especially for heavy ions. Impact excitation is studied by using a global model for electronic excitation based on formal relations through the classical dielectric function to derive an approximation related to the local plasma (electron density distribution) within the atoms and molecules; and corrections to the model resulting from the nonfluid nature of this plasma are discussed. Nuclear reactions are studied by reducing quantum-mechanical treatment of this general N-body problem to an equivalent two-body problem that is solvable, and by comparing the results with experimental data. The equations for heavy-charged-particle transport are derived and solution techniques demonstrated. Finally, these methods of analysis are applied to study the change in the electrical properties of a GaAs semiconductor for photovoltaic applications; proton damage to GaAs crystals is found to arise from stable replacement defects and to be nonannealable, in contrast to electron-induced damage.

Wilson, J. W.↗

The effects of the interaction of polymeric materials with the space environment

Polymeric materials in low earth orbit will be exposed to a harmful environment mainly due to atomic oxygen and ultraviolet radiation. In geosynchronous earth orbit, the major hazards to such materials are energetic charged particles and ultraviolet radiation. The progress of studies on the effects of these hazards on a polyetherimide, a polyimide, and an epoxy adhesive is presented.

Kiefer, Richard L.↗

An overview of the evaluation of oxygen interaction with materials-third phase (EOIM-III) experiment - Space Shuttle Mission 46

An overview of EOIM-III, designed to produce benchmark atomic oxygen reactivity data is presented. Ambient density measurements are conducted using a quadrupole mass spectrometer calibrated for atomic oxygen measurements in a unique ground-based test facility. The combination of these data with the predictions of ambient density models permits an assessment of the accuracy of measured reaction rates on a variety of materials, many of which have never been tested in LEO previously.

Leger, Lubert J.↗

Atomic oxygen interaction with spacecraft materials: Relationship between orbital and ground-based testing for materials certification

The effects of atomic oxygen on boron nitride (BN), silicon nitride (Si3N4), Intelsat 6 solar cell interconnects, organic polymers, and MoS2 and WS2 dry lubricant, were studied in Low Earth Orbit (LEO) flight experiments and in a ground based simulation facility. Both the inflight and ground based experiments employed in situ electrical resistance measurements to detect penetration of atomic oxygen through materials and Electron Spectroscopy for Chemical Analysis (ESCA) analysis to measure chemical composition changes. Results are given. The ground based results on the materials studied to date show good qualitative correlation with the LEO flight results, thus validating the simulation fidelity of the ground based facility in terms of reproducing LEO flight results. In addition it was demonstrated that ground based simulation is capable of performing more detailed experiments than orbital exposures can presently perform. This allows the development of a fundamental understanding of the mechanisms involved in the LEO environment degradation of materials.

Cross, Jon B.↗

Study of activation data of metal samples from LDEF-1 and Spacelab-2

Gamma-ray spectra obtained from samples flown aboard the Long Duration Exposure Facility have been analyzed to obtain the nuclear species produced in this material by the interaction of this material with protons and neutrons in this material by the interaction of this material with protons and neutrons encountered in its 69 month orbital flight as well as to quantify the specific activity (pCi/kg) of these nuclear species. This quantification requires accurate corrections of efficiency, self-attenuation, and background. Plans have been developed for archival of the spectra in a form readily accessible to the scientific, engineering and technical community engaged in space research and application. Work has been initiated in the process of estimating the flux of activating particles encountered by material at various locations of the spacecraft.

Laird, C. E.↗

Sputter process investigation: Material and environment interaction processes investigation

The multilayer Ellipsometry program has been developed with which the thickness and the optical properties of top layer can be determined with the additional information obtained from other measurement such as the optical constant of the middle layer film. Once the proper parameters are input into the program, the multilayer Ellipsometry program which was developed by H. Kim and Dr. Fromhold gives the best possible set of the solutions for the top layer thickness or its optical index graphically on a PC screen. In this report the basic two layer Ellipsometry theory will be summarized briefly as well as the one layer case. All the code is written in Microsoft Quickbasic version 4.5 for IBM PC with a VGA color graphics monitor so that the measurement could be cross-checked out graphically on the screen.

Williams, John R.↗

Lessons Learned From Atomic Oxygen Interaction With Spacecraft Materials in Low Earth Orbit

There have been five Materials International Space Station Experiment (MISSE) passive experiment carriers (PECs) (MISSE 1-5) to date that have been launched, exposed in space on the exterior of International Space Station (ISS) and then returned to Earth for analysis. An additional four MISSE PECs (MISSE 6A, 6B, 7A, and 7B) are in various stages of completion. The PECs are two-sided suitcase to size sample carriers that are intended to provide information on the effects of the low Earth orbital environment on a wide variety of materials and components. As a result of post retrieval analyses of the retrieved MISSE 2 experiments and numerous prior space experiments, there have been valuable lessons learned and needs identified that are worthy of being documented so that planning, design, and analysis of future space environment experiments can benefit from the experience in order to maximize the knowledge gained. Some of the lessons learned involve the techniques, concepts, and issues associated with measuring atomic oxygen erosion yields. These are presented along with several issues to be considered when designing experiments, such as the uncertainty in mission duration, scattering and contamination effects on results, and the accuracy of measuring atomic oxygen erosion.

Banks, Bruce A.↗

Singularity-EOS XCAP Report

Solving the Euler equations is a fundamental component of simulating many physical phenomena ranging from high explosives to astrophysics. An equation of state (EOS) is a required piece that relates any two thermodynamic quantities to all other thermodynamic values. The presence of multiple materials within a control volume further complicates the solution requiring additional equations to describe the interaction of materials at a sub-grid level. Equations of state themselves can also come in many forms ranging from simple algebraic relations to more complicated differential equation models that describe material interactions over a broad range of physical conditions. In the latter case, the EOS is often pre-computed at a given set of grid points and provided in a tabular form where additional properties can be derived from the interpolation functions.

97 MATHEMATICS AND COMPUTING↗

Consortium for materials development in space interaction with Space Station Freedom

The Consortium for Materials Development in Space (CMDS) is one of seventeen Centers for the Commercial Development of Space (CCDS) sponsored by the Office of Commercial Programs of NASA. The CMDS formed at the University of Alabama in Huntsville in the fall of 1985. The Consortium activities therefore will have progressed for over a decade by the time Space Station Freedom (SSF) begins operation. The topic to be addressed here is: what are the natural, mutually productive relationships between the CMDS and SSF? For management and planning purposes, the Consortium organizes its activities into a number of individual projects. Normally, each project has a team of personnel from industry, university, and often government organizations. This is true for both product-oriented materials projects and for infrastructure projects. For various projects Space Station offers specific mutually productive relationships. First, SSF can provide a site for commercial operations that have evolved as a natural stage in the life cycle of individual projects. Efficiency and associated cost control lead to another important option. With SSF in place, there is the possibility to leave major parts of processing equipment in SSF, and only bring materials to SSF to be processed and return to earth the treated materials. This saves the transportation costs of repeatedly carrying heavy equipment to orbit and back to the ground. Another generic feature of commercial viability can be the general need to accomplish large through-put or large scale operations. The size of SSF lends itself to such needs. Also in addition to processing equipment, some of the other infrastructure capabilities developed in CCDS projects may be applied on SSF to support product activities. The larger SSF program may derive mutual benefits from these infrastructure abilities.

Lundquist, Charles A.↗