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At least 181 records · Page 10

Impurity Extraction by Droplets

The goals are to model and to measure the phase equilibrium properties of a finely divided fluid containing a large number of chemically similar species. The objective is to develop an accurate, usable model for such phenomena as pollutant extraction of rain clouds, industrial separation in spray towers, and separation in emulsions. The project was designed as a hierarchy of complementary theoretical and experimental steps. A theory was developed to describe the segregation of complex impurities at the interface of a solvent. This phenomenon is important in phase behavior when a large fraction of molecules in a material are near an interface, the situation in a finely divided material. The theory will be modified to account for the effect of surface curvature on the surface tension. The study of mixtures differs from pure fluids not only because of the surface effects but also because composition differences between the droplet and the surrounding vapor can stabilize a droplet with respect to a bulk phase.

Morrison, G.↗

Fundamental Investigations into the Properties and Performance of Advanced Materials

Intelligent engineering designs require an accurate understanding of material behavior, since any uncertainties or gaps in knowledge must be counterbalanced with heightened factors of safety, leading to overdesign. Therefore, building better structures and pushing the performance of new components requires an improved understanding of the thermomechanical response of advanced materials under service conditions. This dissertation provides fundamental investigations of several advanced materials: thermoset polymers, a common matrix material for fiber-reinforced composites and nanocomposites; aluminum alloy 7075-T6 (AA7075-T6), a high-performance aerospace material; and ceramic matrix composites (CMCs), an advanced composite for extreme-temperature applications. To understand matrix interactions with various interfaces and nanoinclusions at their fundamental scale, the properties of thermoset polymers are studied at the atomistic scale. An improved proximity-based molecular dynamics (MD) technique for modeling the crosslinking of thermoset polymers is carefully established, enabling realistic curing simulations through its ability to dynamically and probabilistically perform complex topology transformations. The proximity-based MD curing methodology is then used to explore damage initiation and the local anisotropic evolution of mechanical properties in thermoset polymers under uniaxial tension with an emphasis on changes in stiffness through a series of tensile loading, unloading, and reloading experiments. Aluminum alloys in aerospace applications often require a fatigue life of over 109 cycles, which is well over ii the number of cycles that can be practically tested using conventional fatigue testing equipment. In order to study these high-life regimes, a detailed ultrasonic cycle fatigue study is presented for AA7075-T6 under fully reversed tension-compression loading. The geometric sensitivity, frequency effects, size effects, surface roughness effects, and the corresponding failure mechanisms for ultrasonic fatigue across different fatigue regimes are investigated. Finally, because CMCs are utilized in extreme environments, oxidation plays an important role in their degradation. A multiphysics modeling methodology is thus developed to address the complex coupling between oxidation, mechanical stress, and oxygen diffusion in heterogeneous carbon fiber-reinforced CMC microstructures.

Schichtel, Jacob J.↗

Multidimensional Modeling of Atmospheric Effects and Surface Heterogeneities on Remote Sensing

A modeling capability that allows a quantitative determination of atmospheric effects on remote sensing including the effects of surface heterogeneities is established. The objectives include: (1) the adaptation of existing radiative transfer codes to remote sensing applications, (2) the implementation of a realistic atmospheric data base, (3) the definition and verification against field measurements of a coupled atmosphere/canopy model, and (4) the quantitative characterization of the effects of some biophysical canopy parameters and soil surface boundary conditions on satellite-sensed Multispectral Scanner System (MSS) data. Substantial progress was also made in quantifying the effects of varying atmospheric turbidity and different non-Lambertian and specular ground reflectances on MSS data and its transforms like greenness and brightness.

Gerstl, S. A.↗

Multidimensional Modeling of Atmospheric Effects and Surface Heterogeneities on Remote Sensing

The overall goal of this project is to establish a modeling capability that allows a quantitative determination of atmospheric effects on remote sensing including the effects of surface heterogeneities. This includes an improved understanding of aerosol and haze effects in connection with structural, angular, and spatial surface heterogeneities. One important objective of the research is the possible identification of intrinsic surface or canopy characteristics that might be invariant to atmospheric perturbations so that they could be used for scene identification. Conversely, an equally important objective is to find a correction algorithm for atmospheric effects in satellite-sensed surface reflectances. The technical approach is centered around a systematic model and code development effort based on existing, highly advanced computer codes that were originally developed for nuclear radiation shielding applications. Computational techniques for the numerical solution of the radiative transfer equation are adapted on the basis of the discrete-ordinates finite-element method which proved highly successful for one and two-dimensional radiative transfer problems with fully resolved angular representation of the radiation field.

Gerstl, S. A. W.↗

Effect of surface moisture on dielectric behavior of ultrafine BaTiO3 particulates.

The effects of adsorbed H2O on the dielectric properties of ultrafine BaTiO3 particulates of varying particle size and environmental history were determined. The dielectric behavior depends strongly on surface hydration. No particle size dependence of dielectric constant was found for dehydroxylated surfaces in ultrafine particulate (unsintered) BaTiO3 materials. For equivalent particle sizes, the ac conductivity is sensitive to surface morphology. Reactions with H2O vapor appear to account for the variations in dielectric properties. Surface dehydration was effectively accomplished by washing as-received powders in isopropanol.

Mountvala, A. J.↗

The effects of surface finish and grain size on the strength of sintered silicon carbide

The effects of surface treatment and microstructure, especially abnormal grain growth, on the strength of sintered SiC were studied. The surfaces of sintered SiC were treated with 400, 800 and 1200 grit diamond wheels. Grain growth was induced by increasing the sintering times at 2050 C. The beta to alpha transformation occurred during the sintering of beta-phase starting materials and was often accompanied by abnormal grain growth. The overall strength distributions were established using Weibull statistics. The strength of the sintered SiC is limited by extrinsic surface flaws in normal-sintered specimens. The finer the surface finish and grain size, the higher the strength. But the strength of abnormal sintering specimens is limited by the abnormally grown large tabular grains. The Weibull modulus increases with decreasing grain size and decreasing grit size for grinding.

You, Y. H.↗

Modeling plasma-induced surface charge effects on CO 2 activation by single atom catalysts supported on reducible and irreducible metal oxides

Abstract The accumulation of negative surface charge on catalytic surfaces in the presence of low-temperature plasma (LTP) could influence catalytic performance. However, it is difficult to disentangle the role of surface charging and other LTP catalytic effects in experiment. Herein, we use density functional theory (DFT) modeling to understand the effect of plasma-induced surface charging on CO 2 activation by atomically dispersed single atom (SA) catalysts on both reducible and irreducible metal oxide supports. We model CO 2 adsorption strength and CO 2 dissociation barriers for Co 1 , Ni 1 , Cu 1 , Rh 1 , Pd 1 , and Ag 1 SAs on both reducible and irreducible supports, namely, CeO 2 (100), TiO 2 (101), and γ -Al 2 O 3 (110), to elucidate trends. We find that accumulated surface charge on the SA increases the CO 2 adsorption strength and decreases the CO 2 dissociation barrier for all studied SA/support combinations. For both charged and uncharged (neutral) systems, SAs on the reducible CeO 2 (100) support generally adsorb CO 2 more weakly compared to when on irreducible supports like γ -Al 2 O 3 (110). SAs on γ -Al 2 O 3 (110) typically have larger barriers for CO 2 dissociation for both charged and uncharged systems compared to TiO 2 (101) and CeO 2 (100). The magnitude of surface charging effects on CO 2 binding energies and dissociation barriers depends sensitively on both the SA and the support. In some cases, the CO 2 activation trends qualitatively change between neutral and charged systems for a fixed SA across different supports. This DFT modeling study demonstrates that surface charging should be considered in strong electric fields because it can have a large effect on molecule adsorption and bond-breaking on catalytic surfaces.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A parameterization of the effect of surface roughness on microwave emission

A simple model is developed to represent the net effect of surface roughness on the microwave emission from soils. The reflectivity of a rough soil surface is defined in a theoretical model that includes both coherent and incoherent reflectivities in terms of the statistical properties of the rough surface, i.e., the surface height standard deviation and its horizontal correlation length. It is shown that the rough surface reflectivity obtained from this theoretical model can be presented in a form that is simply the reflectivity of a smooth surface attenuated by a 'rough thickness'. It is found that the rough thickness can be parameterized as a function of the statistical slope ratio of a rough surface by a simple power-law relationship. Since the slope of a rough surface can be determined experimentally, the rough thickness can be quantitatively estimated from the parametric representation. Model calculations show that this simple model can provide reasonably accurate results of predicted brightness temperatures that agree well with field measurements within experimental uncertainty.

Mo, Tsan↗

Effect of Surface Treatments on Electron Beam Freeform Fabricated Aluminum Structures

Electron beam freeform fabrication (EBF3) parts exhibit a ridged surface finish typical of many layer-additive processes. This, post-processing is required to produce a net shape with a smooth surface finish. High speed milling wire electrical discharge machining (EDM), electron beam glazing, and glass bead blasting were performed on EBF3-build 2219 aluminum alloy parts to reduce or eliminate the ridged surface features. Surface roughness, surface residual stress state, and microstructural characteristics were examined for each of the different surface treatment to assess the quality and effect of the surface treatments on the underlying material. The analysis evaluated the effectivenes of the different surface finishing techniques for achieving a smooth surface finish on an electron beam freeform fabricated part.

Taminger, Karen M. B.↗

Effects of surface vacancy-adatom pair formation on PFC tungsten surface morphological response

Abstract We report a simulation study of the effect of He-irradiation-induced surface vacancy-adatom pair formation on the surface morphological evolution of plasma-facing component (PFC) tungsten and examine a number of factors that impact such evolution. Our analysis is based on self-consistent dynamical simulations according to an atomistically-informed, continuum-scale surface evolution model that has been developed following a hierarchical multiscale modeling strategy and can access the spatiotemporal scales of relevance to fuzz formation. The model accounts for the flux of surface adatoms generated as a result of the surface vacancy-adatom pair formation effect upon He implantation, which contributes to the anisotropic growth of surface nanostructural features due to the different rates of adatom diffusion along and across step edges of islands on the tungsten surface. We have carried out atomic-scale computations of optimal diffusion pathways along and across island step edges on the W(110) surface and calculated Ehrlich–Schwoebel (ES) barriers in adatom diffusion along and across such step edges. This aspect of surface adatom diffusion contributes to anisotropic surface atomic fluxes, terrace and step diffusive currents, and has been incorporated into our PFC surface evolution model, which predicts the formation of preferentially aligned nanoridge stripe patterns on the PFC surface. We establish that these anisotropic diffusive currents accelerate nanotendril growth on the PFC surface and the onset of surface nanostructure pattern formation. We also explore systematically the dependence of the PFC surface morphological response on the surface temperature and He ion incident flux, characterize in detail the resulting surface topographies and growth kinetics, and compare the predicted surface morphologies with experimental observations. Our simulation predictions for the emerging surface nanostructure patterns under certain plasma exposure conditions are consistent with experimental findings in the literature.

36 MATERIALS SCIENCE↗