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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 1,351 records · Page 75

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NASA NTRS1991

Differential continuum damage mechanics models for creep and fatigue of unidirectional metal matrix composites

Three multiaxial isothermal continuum damage mechanics models for creep, fatigue, and creep/fatigue interaction of a unidirectional metal matrix composite volume element are presented, only one of which will be discussed in depth. Each model is phenomenological and stress based, with varying degrees of complexity to accurately predict the initiation and propagation of intergranular and transgranular defects over a wide range of loading conditions. The development of these models is founded on the definition of an initially transversely isotropic fatigue limit surface, static fracture surface, normalized stress amplitude function and isochronous creep damage failure surface, from which both fatigue and creep damage evolutionary laws can be obtained. The anisotropy of each model is defined through physically meaningful invariants reflecting the local stress and material orientation. All three transversely isotropic models have been shown, when taken to their isotropic limit, to directly simplify to previously developed and validated creep and fatigue continuum damage theories. Results of a nondimensional parametric study illustrate (1) the flexibility of the present formulation when attempting to characterize a large class of composite materials, and (2) its ability to predict anticipated qualitative trends in the fatigue behavior of unidirectional metal matrix composites. Additionally, the potential for the inclusion of various micromechanical effects (e.g., fiber/matrix bond strength, fiber volume fraction, etc.), into the phenomenological anisotropic parameters is noted, as well as a detailed discussion regarding the necessary exploratory and characterization experiments needed to utilize the featured damage theories.

Arnold, S. M.↗

NASA NTRS1993

Synergism of active and passive microwave data for estimating bare surface soil moisture

Active and passive microwave sensors were applied effectively to the problem of estimating the surface soil moisture in a variety of environmental conditions. Research to date has shown that both types of sensors are also sensitive to the surface roughness and the vegetation cover. In estimating the soil moisture, the effect of the vegetation and roughness are often corrected either by acquiring multi-configuration (frequency and polarization) data or by adjusting the surface parameters in order to match the model predictions to the measured data. Due to the limitations on multi-configuration spaceborne data and the lack of a priori knowledge of the surface characteristics for parameter adjustments, it was suggested that the synergistic use of the sensors may improve the estimation of the soil moisture over the extreme range of naturally occurring soil and vegetation conditions. To investigate this problem, the backscattering and emission from a bare soil surface using the classical rough surface scattering theory were modeled. The model combines the small perturbation and the Kirchhoff approximations in conjunction with the Peak formulation to cover a wide range of surface roughness parameters with respect to frequency for both active and passive measurements. In this approach, the same analytical method was used to calculate the backscattering and emissivity. Therefore, the active and passive simulations can be combined at various polarizations and frequencies in order to estimate the soil moisture more actively. As a result, it is shown that (1) the emissivity is less dependent on the surface correlation length, (2) the ratio of the backscattering coefficient (HH) over the surface reflectivity (H) is almost independent of the soil moisture for a wide range of surface roughness, and (3) this ratio can be approximated as a linear function of the surface rms height. The results were compared with the data obtained by a multi-frequency radiometer-scatterometer system working at frequencies between 3.0 GHz to 11.0 GHz. The data were acquired over bare soil surfaces with moisture variations due to freezing and thawing and roughness changes due to rain and erosion. The model predictions are shown to be in reasonable agreement with the data. In addition, it was shown that the same ratio when calculated from the data shows almost no dependence on the soil moisture. Finally, a simple technique which combines the backscattering coefficient at HH polarization (active sensing) with the emissivity at H polarization (passive sensing) is suggested for retrieving the soil moisture from bare soil surfaces.

Saatchi, Sasan S.↗

NASA NTRS2001

An integrated software suite for surface-based analyses of cerebral cortex

The authors describe and illustrate an integrated trio of software programs for carrying out surface-based analyses of cerebral cortex. The first component of this trio, SureFit (Surface Reconstruction by Filtering and Intensity Transformations), is used primarily for cortical segmentation, volume visualization, surface generation, and the mapping of functional neuroimaging data onto surfaces. The second component, Caret (Computerized Anatomical Reconstruction and Editing Tool Kit), provides a wide range of surface visualization and analysis options as well as capabilities for surface flattening, surface-based deformation, and other surface manipulations. The third component, SuMS (Surface Management System), is a database and associated user interface for surface-related data. It provides for efficient insertion, searching, and extraction of surface and volume data from the database.

NASA Discipline Neuroscience↗

NASA NTRS1996

New Microwave Technology for Ocean Wind Measurements

Global mapping of near surface ocean winds is crucial for many meteorological, oceanographic and atmospheric studies. The microwave emission from the ocean surface is elliptically polarized and the degree of polarizationand angle is a function of the surface wind speed and direction...A summary of all the ocean polarimetric data vs. wind speed and incidence angle from three flights in 1994 and eight flights in 1995 is presented.

global mapping ocean winds near surface ocean wind↗

NASA NTRS2012

Validation Tests of Fiber Optic Strain-Based Operational Shape and Load Measurements

Aircraft design has been progressing toward reduced structural weight to improve fuel efficiency, increase performance, and reduce cost. Lightweight aircraft structures are more flexible than conventional designs and require new design considerations. Intelligent sensing allows for enhanced control and monitoring of aircraft, which enables increased structurally efficiency. The NASA Dryden Flight Research Center (DFRC) has developed an instrumentation system and analysis techniques that combine to make distributed structural measurements practical for lightweight vehicles. Dryden's Fiber Optic Strain Sensing (FOSS) technology enables a multitude of lightweight, distributed surface strain measurements. The analysis techniques, referred to as the Displacement Transfer Functions (DTF) and Load Transfer Functions (LTF), use surface strain values to calculate structural deflections and operational loads. The combined system is useful for real-time monitoring of aeroelastic structures, along with many other applications. This paper describes how the capabilities of the measurement system were demonstrated using subscale test articles that represent simple aircraft structures. Empirical FOSS strain data were used within the DTF to calculate the displacement of the article and within the LTF to calculate bending moments due to loads acting on the article. The results of the tests, accuracy of the measurements, and a sensitivity analysis are presented.

FOSS↗

NASA NTRS2017

Switching State-Feedback LPV Control with Uncertain Scheduling Parameters

This paper presents a new method to design Robust Switching State-Feedback Gain-Scheduling (RSSFGS) controllers for Linear Parameter Varying (LPV) systems with uncertain scheduling parameters. The domain of scheduling parameters are divided into several overlapped subregions to undergo hysteresis switching among a family of simultaneously designed LPV controllers over the corresponding subregion with the guaranteed H-infinity performance. The synthesis conditions are given in terms of Parameterized Linear Matrix Inequalities that guarantee both stability and performance at each subregion and associated switching surfaces. The switching stability is ensured by descent parameter-dependent Lyapunov function on switching surfaces. By solving the optimization problem, RSSFGS controller can be obtained for each subregion. A numerical example is given to illustrate the effectiveness of the proposed approach over the non-switching controllers.

Switching LPV control↗

DOE OSTI2022

Method to synthesize graphene-based amphiphilic janus nanosheets

A facile and scalable method to prepare graphene-based amphiphilic Janus nanosheets with high efficiency utilizing the formation of hydrogen bonding to immobilize graphene oxide (GO) on the surfaces of starch microspheres. After selective functionalization of the exposed surface using alkylamine, amphiphilic Janus nanosheets (AJN) were obtained by releasing the nanosheets from the starch microspheres.

Ren, Zhifeng↗

DOE OSTI2020

Atomistic modeling of energy band alignment in CdTe(1 0 0) and CdTe(1 1 1) surfaces

An atomic-scale perspective of energy band alignment in CdTe surfaces has not been spatially studied despite the major role surfaces play in forming interfaces within CdTe-based thin film photovoltaic devices. Atomistic modeling based on density functional theory coupled with surface Green’s function is used for calculating energy band alignment of CdTe surfaces. The CdTe(1 0 0) ((1×1) and c(2×2) reconstruction) and CdTe(1 1 1) ((1×1) and (2×2) reconstruction) facets without and with surface relaxation provide insightful band bending characteristics that influence charge carrier transport. Results show that unrelaxed (1×1) CdTe(1 0 0) and CdTe(1 1 1) surfaces bend the valence band downward with surface polarity dictating the surface potential magnitude. The reconstructed CdTe(1 0 0) c(2×2) and CdTe(1 1 1) (2×2) surfaces result in favorable surface electronic features in relation to their unreconstructed variants. In addition, the structurally relaxed CdTe(1 1 1) surfaces develop an internal energy cusp potential that may enhance hole charge transport toward the back of CdTe solar cell devices. In conclusion, energy band alignments calculated within the study lead to a detailed understanding of how CdTe surfaces may affect CdTe-based thin film photovoltaic applications.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Effect of metallic surface microroughness on the probability and spectrum of plasmon excitation by a fast charged particle moving parallel to the surface

The Green's function of the electric field of plasmons is determined in a semi-infinite medium with an abrupt plasma boundary where nonequilibrium conduction electrons either undergo elastic reflection from the boundary or 'stick' to it and give rise to a stationary surface charge. The angular reflection of elastically scattered electrons can be either specular or diffuse. The Green's function is used to find the singleevent spectrum of energy loss by a fast electron moving parallel to the boundary. The effect of electronboundary scattering parameters on the structure of bulk and surface plasmon resonances is analyzed. The probability of transition radiation of bulk plasmon by an electron moving in vacuum is examined. A new type of surface resonance is found under conditions of perfectly elastic scattering of conduction electrons from the plasma boundary, similar in structure to a tangential surface plasmon.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2019

Benchmarking the accuracy of coverage-dependent models: adsorption and desorption of benzene on Pt (111) and Pt 3 Sn (111) from first principles

Bimetallic catalysts have demonstrated properties favorable for upgrading biofuel through catalytic hydrodeoxygenation. However, the design and optimization of such bimetallic catalysts requires the ability to construct accurate, predictive models of these systems. To generate a model that predicts the kinetic behavior of benzene adsorbed on Pt (111) and a Pt 3 Sn (111) surface alloy (Pt 3 Sn (111)), the adsorption of benzene was studied for a wide range of benzene coverages on both surfaces using density functional theory (DFT) calculations. The adsorption energy of benzene was found to correlate linearly with benzene coverage on Pt (111) and Pt 3 Sn (111); both surfaces exhibited net repulsive lateral interactions. Through an analysis of the d-band properties of the metal surface, it was determined that the coverage dependence is a consequence of the electronic interactions between benzene and the surface. The linear coverage dependence of the adsorption energy allowed us to quantify the influence of the lateral interactions on the heat of adsorption and temperature programmed desorption (TPD) spectra using a mean-field model. A comparison of our simulated TPD to experiment showed that this mean-field model adequately reproduces the desorption behavior of benzene on Pt (111) and Pt 3 Sn (111). In particular, the TPD correctly exhibits a broadening desorption peak as the initial coverage of benzene increases on Pt (111) as well as and a low temperature desorption peak on Pt 3 Sn (111). Furthermore, due to the sensitivity of the TPD peak temperature to the desorption energy, precise alignment of experimental and theoretical TPD spectra demands an accurate calculation of the adsorption energy. Therefore, an analysis of the effect of the exchange-correlation functional on TPD modeling is presented. Through this work, we show the necessity of incorporating lateral interactions into theoretical models in order to correctly predict experimental behavior.

09 BIOMASS FUELS↗

DOE OSTI2024

Methods for Color Center Preserving Hydrogen‐Termination of Diamond

Abstract Chemical functionalization of diamond surfaces by hydrogen is an important method for controlling the charge state of near‐surface fluorescent color centers, an essential process in fabricating devices such as diamond field‐effect transistors and chemical sensors, and a required first step for realizing families of more complex terminations through subsequent chemical processing. In all these cases, termination is typically achieved using hydrogen plasma sources that can etch or damage the diamond, as well as deposited materials or embedded color centers. This work explores alternative methods for lower‐damage hydrogenation of diamond surfaces, specifically the annealing of diamond samples in high‐purity, non‐explosive mixtures of nitrogen and hydrogen gas, and the exposure of samples to microwave hydrogen plasmas in the absence of intentional stage heating. The effectiveness of these methods are characterized by x‐ray photoelectron spectroscopy (XPS), and comparison of the results to density‐functional modelling of the surface hydrogenation energetics implicates surface oxygen ligands as the primary factor limiting the termination quality of annealed samples. Finally, photoluminescence (PL) spectroscopy is used to verify that both the annealing and reduced sample temperature plasma methods are non‐destructive to near‐surface ensembles of nitrogen‐vacancy (NV) centers, in stark contrast to plasma treatments that use heated sample stages.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Strengthening poly(lactic acid) composites with poly(methyl methacrylate) functionalized flax nanofibrils

Biobased reinforcements for poly(lactic acid) (PLA) are needed for more additive manufacturing applications requiring higher strength and sustainability. Flax nanofibrils (FNFs) produced through mechanical refining were explored as a lower energy alternative to cellulose nanofibril (CNF) reinforcements. To compatibilize the FNFs for the PLA matrix, a grafting-through surfactant free emulsion polymerization (SFEP) was performed to functionalize the FNF surface with poly(methyl methacrylate) (PMMA). FNFs produced using different refining energy were functionalized under varying solid contents in suspension. Polymerizations performed at 0.7 wt% FNFs in water yielded the highest degree of PMMA functionality. These optimal conditions were scaled up and the PMMA modified FNFs melt compounded into PLA yielding a 12% increase in tensile strength and 92% increase in the modulus of elasticity as compared to the original PLA. Interestingly, the FNFs with the lowest refining energy yielded the strongest composites using these methods, surpassing the higher refining energy CNF reinforcements. This increase was attributed to improved dispersion of the FNF reinforcements in the PLA matrix that was enabled by the PMMA coating on the FNF surface preventing interfibrillar adhesion and aggregation within the PLA matrix.

Mulligan, Abigail [University of Maine]↗

DOE OSTI2015

Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions

Understanding electronic dynamics on material surfaces is fundamentally important for applications including nanoelectronics, inhomogeneous catalysis, and photovoltaics. Practical approaches based on time-dependent density functional theory for open systems have been developed to characterize the dissipative dynamics of electrons in bulk materials. The accuracy and reliability of such approaches depend critically on how the electronic structure and memory effects of surrounding material environment are accounted for. In this work, we develop a novel squared-Lorentzian decomposition scheme, which preserves the positive semi-definiteness of the environment spectral matrix. The resulting electronic dynamics is guaranteed to be both accurate and convergent even in the long-time limit. The long-time stability of electronic dynamics simulation is thus greatly improved within the current decomposition scheme. The validity and usefulness of our new approach are exemplified via two prototypical model systems: quasi-one-dimensional atomic chains and two-dimensional bilayer graphene.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Control of work functions of nanophotonic components

Work function is an essential material’s property playing important roles in electronics, photovoltaics, and more recently, in nanophotonics. We have studied effects of organic, and inorganic dielectric materials on work functions of Au films in single layered, and multilayered structures. We found that measured work function of metallic surfaces can be affected by dielectric materials situated 10–100 nm away from the metallic surface. We have found that, (i) the glass underneath ~ 50 nm gold slab reduces the work function of gold, (ii) Rh590:PMMA increases the work function of a gold film deposited on top of the polymer, and (iii) reduces it if Rh590:PMMA is deposited on top of Au. (iv) With increase of the Rh590 concentration in PMMA, n, the work function first decreases (at n < 64 g/l), and then increases (at n > 64 g/l). (v) The work function of a Fabry–Perot cavity or an MIM waveguide is almost the same as that of single Au films of comparable thickness. The experimental results can be qualitatively explained in terms of a simple model taking into account adhesion of charged molecules to a metallic surface, and formation of a double layer of charges accelerating or decelerating electrons exiting the metal and decreasing or increasing the work function.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Photoelectrochemically driven self-assembly method

Various technologies described herein pertain to assembling electronic devices into a microsystem. The electronic devices are disposed in a solution. Light can be applied to the electronic devices in the solution. The electronic devices can generate currents responsive to the light applied to the electronic devices in the solution, and the currents can cause electrochemical reactions that functionalize regions on surfaces of the electronic devices. Additionally or alternatively, the light applied to the electronic devices in the solution can cause the electronic devices to generate electric fields, which can orient the electronic devices and/or induce movement of the electronic devices with respect to a receiving substrate. Further, electrodes on a receiving substrate can be biased to attract and form connections with the electronic devices having the functionalized regions on the surfaces. The microsystem can include the receiving substrate and the electronic devices connected to the receiving substrate.

42 ENGINEERING↗

DOE OSTI2014

Characterization and dispersibility of improved thermally stable amide functionalized graphene oxide

Graphical abstract: Improved thermal stability and surface study of amide functionalized graphene oxide. - Highlights: • Amide functionalized graphene oxides (AGOs) were synthesized from aniline, 2-aminothiazole and 2-aminopyrimidine. • Achieved enhancement in thermal stability of AGOs as compare to GO. • AGOs are found to be highly dispersible in water, DMSO and DMF. • Dispersibility is stable for more than two and half months. - Abstract: Amidation of graphene oxide (GO) with aniline, 2-aminothiazole and 2-aminopyrimidine results in the synthesis of amide functionalized graphene oxides (AGOs). Scanning electron microscopy, X-ray diffraction, thermogravimetric analysis (TGA), UV–vis and Raman spectroscopy were used to investigate the properties of AGOs. It was found that, contrary to GO, AGOs are soluble in water, dimethyl sulfoxide, dimethylformamide and can be stabilized for months. TGA of AGOs shows the major weight loss above 670 °C as compared to GO in which significant weight loss occurs near 200 °C. Thus AGOs show strong improvement in thermal properties.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Ultradoping Boron on Si(100) via Solvothermal Chemistry

Ultradoping introduces unprecedented dopant levels into Si, which transforms its electronic behavior and enables its use as a next-generation electronic material. Commercialization of ultradoping is currently limited by gas-phase ultra-high vacuum requirements. Solvothermal chemistry is amenable to scale-up. However, an integral part of ultradoping is a direct chemical bond between dopants and Si, and solvothermal dopant-Si surface reactions are not well-developed. This work provides the first quantified demonstration of achieving ultradoping concentrations of boron (~1e14 cm 2 ) by using a solvothermal process. Surface characterizations indicate the catalyst cross-reacted, which led to multiple surface products and caused ambiguity in experimental confirmation of direct surface attachment. Density functional theory computations elucidate that the reaction results in direct B-Si surface bonds. Finally, this proof-of-principle work lays groundwork for emerging solvothermal ultradoping processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2000

General Purpose Fortran Program for Discrete-Ordinate-Method Radiative Transfer in Scattering and Emitting Layered Media: An Update of DISORT

This update reports a state-of-the-art discrete ordinate algorithm for monochromatic unpolarized radiative transfer in non-isothermal, vertically inhomogeneous, but horizontally homogeneous media. The physical processes included are Planckian thermal emission, scattering with arbitrary phase function, absorption, and surface bidirectional reflection. The system may be driven by parallel or isotropic diffuse radiation incident at the top boundary, as well as by internal thermal sources and thermal emission from the boundaries. Radiances, fluxes, and mean intensities are returned at user-specified angles and levels. DISORT has enjoyed considerable popularity in the atmospheric science and other communities since its introduction in 1988. Several new DISORT features are described in this update: intensity correction algorithms designed to compensate for the 8-M forward-peak scaling and obtain accurate intensities even in low orders of approximation; a more general surface bidirectional reflection option; and an exponential-linear approximation of the Planck function allowing more accurate solutions in the presence of large temperature gradients. DISORT has been designed to be an exemplar of good scientific software as well as a program of intrinsic utility. An extraordinary effort has been made to make it numerically well-conditioned, error-resistant, and user-friendly, and to take advantage of robust existing software tools. A thorough test suite is provided to verify the program both against published results, and for consistency where there are no published results. This careful attention to software design has been just as important in DISORT's popularity as its powerful algorithmic content.

Tsay, Si-Chee↗