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Heterogeneous nucleation of gamma prime in Al-Ag and Al-Ag /Cd or Cu/ alloys.

Results of transmission electron microscopy studies of heterogeneous nucleation of the metastable gamma prime phase were made in binary and ternary alloys of Al-5 at. % Ag, Al-4.8 at. % Ag-0.15 at. % Cd, and Al-4.8 at. % Ag-0.2 at. % Cu. Heterogeneous nucleation of gamma prime was found to be associated with four types of dislocations, regardless of the quenching treatment or alloy additions which were used. Nucleation was found to occur on: (a) jogged dislocations; (b) helical dislocations; (c) dislocation loops; (d) heterogeneous climb sources. Only one nucleation mechanism was found to be unique to the ternary alloys: that of nucleation on heterogeneous climb sources.

Passoja, D. E.

Microstructural effects on the room and elevated temperature low cycle fatigue behavior of Waspaloy

Longitudinal specimens of Waspaloy containing either coarse grains with small gamma or fine grains with large gamma were tested in air at a frequency of 0.33 Hz or 0.50 Hz. The coarse grained structures exhibited planar slip on (III) planes and precipitate shearing at all temperatures. Cracks initiated by a Stage 1 mechanism and propagated by a striation forming mechanism. At 700 C and 800 C, cleavage and intergranular cracking were observed. Testing at 500 C, 700 C, and 800 C caused precipitation of grain boundary carbides. At 700 C, carbides precipitated on slip bands. The fine grained structures exhibited planar slip on (111) planes. Dislocations looped the large gamma precipitates. This structure led to stress saturation and propagation was observed. Increasing temperatures resulted in increased specimen oxidation for both heat treatments. Slip band and grain boundary oxidation were observed. At 800 C, oxidized grain boundaries were cracked by intersecting slip bands which resulted in intergranular failure. The fine specimens had crack initiation later in the fatigue life, but with more rapid propagation crack propagation.

Lerch, B. A.

Elevated temperature slow plastic deformation of NiAl/TiB2 particulate composites

The 'XD' process for production of discontinuously-reinforced metal-matrix composites has been used to enhance the high-temperature strength of NiAl-TiB2 composites with particulate densities of up to 30 vol pct. SEM, TEM, and optical characterizations of the resulting microstructures showed the average TiB2 particle size to be about 1 micron, while the average grain of the NiAl matrix was of the order of 10 microns. Elevated temperature compression tests conducted at 1200 and 1300 K indicated flow strengths to increase with TiB2 content, so that the 20 vol pct TiB2-reinforced composite was three times stronger than the unreinforced NiAl; this is ascribed to the very high density of microstructural tangled dislocations, loops, and subgrain boundaries connecting the particles.

Whittenberger, J. Daniel

Factors Affecting the Plasticity of Sodium Chloride, Lithium Fluoride, and Magnesium Oxide Single Crystals

A study was made of the relative magnitude of the effects of various factors on the ductility of single crystals of sodium chloride (NaCl), lithium fluoride (LiF), and magnesium oxide (MgO). Specimen treatments included water-polishing, varying cleavage rate, annealing, quenching, X-irradiation, surface coating, aging, and combinations of some of these treatments. The mechanical behavior of the crystals was studied in flexure and in compression, the latter study being performed at both constant strain rate and constant load. Etch-pit studies were carried out to provide some pertinent information on the results of pretreatment on the dislocation concentration and distribution in the vicinity of the surface. The load deformation curves for these ionic single crystals show an initial region of very low slope which proved to be due to anelastic deformation. The extent of initial anelastic deformation is modified by specimen pretreatment in a way that suggests that this deformation is the result of expansion of cleaved-in dislocation loops, which can contract on the removal of the stress. The effects of the various pretreatments on the load and deflection at fracture are in accord with the prediction one might make with regard to their effect on the nucleation of fatal surface cracks. For NaCl, increases in ductility are always accompanied by increases in strength. The creep constants for NaCl are a function of treatments which affect the bulk structure but are not a function of treatments which only affect the surface.

Stearns, Carl A.

The structure of extruded NiAl

The deformation structure of Ni-rich NiAl extruded at 550 C has been characterized by transmission electron microscopy and by optical microscopy. Dislocations having a(100) Burgers vectors were found as complex networks, tangles, and prismatic loops. a(110) dislocations, which were rare, were concluded to arise from reactions of a(100) dislocations. Evidence of recovery and recrystallization was obtained. Extrusion was deemed to have been possible by the operation of (hko)(001) slip systems (often in plane strain flow) plus diffusion-assisted processes.

Baker, I.

Growth and Characterization of 3C-SiC and 2H-AIN/GaN Films and Devices Produced on Step-Free 4H-SiC Mesa Substrates

While previously published experimental results have shown that the step-free (0 0 0 1) 4H-SiC mesa growth surface uniquely enables radical improvement of 3C-SiC and 2H-AlN/GaN heteroepitaxial film quality (greater than 100-fold reduction in extended defect densities), important aspects of the step-free mesa heterofilm growth processes and resulting electronic device benefits remain to be more fully elucidated. This paper reviews and updates recent ongoing studies of 3C-SiC and 2H-AlN/GaN heteroepilayers grown on top of 4H-SiC mesas. For both 3C-SiC and AlN/GaN films nucleated on 4H-SiC mesas rendered completely free of atomic-scale surface steps, TEM studies reveal that relaxation of heterofilm strain arising from in-plane film/substrate lattice constant mismatch occurs in a remarkably benign manner that avoids formation of threading dislocations in the heteroepilayer. In particular, relaxation appears to occur via nucleation and inward lateral glide of near-interfacial dislocation half-loops from the mesa sidewalls. Preliminary studies of homojunction diodes implemented in 3C-SiC and AlN/GaN heterolayers demonstrate improved electrical performance compared with much more defective heterofilms grown on neighbouring stepped 4H-SiC mesas. Recombination-enhanced dislocation motion known to degrade forward-biased 4H-SiC bipolar diodes has been completely absent from our initial studies of 3C-SiC diodes, including diodes implemented on defective 3C-SiC heterolayers grown on stepped 4H-SiC mesas.

Neudeck, P. G.

Recent Results from Epitaxial Growth on Step Free 4H-SiC Mesas

This paper updates recent progress made in growth, characterization, and understanding of high quality homoepitaxial and heteroepitaxial films grown on step-free 4H-SiC mesas. First, we report initial achievement of step-free 4H-SiC surfaces with carbon-face surface polarity. Next, we will describe further observations of how step-free 4H-SiC thin lateral cantilever evolution is significantly impacted by crystal faceting behavior that imposes non-uniform film thickness on cantilever undersides. Finally, recent investigations of in-plane lattice constant mismatch strain relief mechanisms observed for heteroepitaxial growth of 3C-SiC as well as 2H-AlN/GaN heterofilms on step-free 4H-SiC mesas will be reviewed. In both cases, the complete elimination of atomic heterointerface steps on the mesa structure enables uniquely well-ordered misfit dislocation arrays to form near the heterointerfaces with remarkable lack of dislocations threading vertically into the heteroepilayers. In the case of 3C-SiC heterofilms, it has been proposed that dislocation half-loops nucleate at mesa edges and glide laterally along the step-free 3C/4H interfaces. In contrast, 3C-SiC and 2H-AlN/GaN heterofilms grown on 4H-SiC mesas with steps exhibit highly disordered interface misfit dislocation structure coupled with 100X greater density of dislocations threading through the thickness of the heteroepilayers. These results indicate that the presence of steps at the heteroepitaxial interface (i.e., on the initial heteroepitaxial nucleation surface) plays a highly important role in the defect structure, quality, and relaxation mechanisms of single-crystal heteroepitaxial films.

Neudeck, Philip G.

Ion-implanted laser annealed silicon solar cells

Development of low cost solar cells fabrication technology is being sponsored by NASA JPL as part of the Low Cost Solar Array Project (LSA). In conformance to Project requirements ion implantation and laser annealing were evaluated as junction formation techniques offering low cost-high throughput potential. Properties of cells fabricated utilizing this technology were analyzed by electrical, transmission electron microscopy, Rutherford backscattering and secondary ion mass spectrometry techniques. Tests indicated the laser annealed substrates to be damage free and electrically active. Similar analysis of ion implanted furnace annealed substrates revealed the presence of residual defects in the form of dislocation lines and loops with substantial impurity redistribution evident for some anneal temperature/time regimes. Fabricated laser annealed cells exhibited improved spectral response and conversion efficiency in comparison to furnace annealed cells. An economic projection for LSA indicates a potential for considerable savings from laser annealing technology.

Katzeff, J. S.

Application of laser annealing to solar cell junction formation

The possibility of using high-energy Q-switched Nd:glass lasers to form pn junctions in solar cells by annealing ion-implanted substrates is investigated. The properties of laser annealed cells are analyzed by electrical, transmission electron microscopy, Rutherford backscattering and secondary ion mass spectrometry techniques. Tests indicate the laser annealed substrates to be damage-free and electrically active. Similar reference analysis of ion-implanted furnace-annealed substrates reveals the presence of residual defects in the form of dislocation lines and loops with substantial impurity redistribution evident for some anneal temperature/time regimes. Fabricated laser annealed cells exhibit excellent conversion efficiency. It is noted that additional improvements are anticipated once the anneal parameters for a back surface field are optimized.

Katzeff, J. S.

Pre- and post-annealing of mechanical damage in silicon wafers

Basic properties of mechanical damage in silicon consisting of cracks and abrasion were studied using transmission electron microscopy. The crystallographic structure of mechanical damage was determined before and after high temperature annealing. The main findings include that stresses in silicon around crack tips are not plastically relieved at room temperature and that abrasion at room temperature introduces shear loops into the silicon. It was also found that cracks of micron size can be annealed out, specifically, if cleavage occurs on 111 planes. The healing products of such cracks are 60 deg and 90 deg dislocations. Submicron cracks transform into stacking faults during annealing. Likewise high concentrations of shear loops due abrasion were found to anneal into stacking faults. A one to one correlation between surface areas containing small cracks and stacking faults was made. Measurements of damage removal on silicon surfaces through chemical-mechanical etching techniques are presented. It is shown that silicon dioxide repolishes damaged silicon surfaces most effectively.

Schwottke, G. H.

Computational Study on Full-length Human Ku70 with Double Stranded DNA: Dynamics, Interactions and Functional Implications

The Ku70/80 heterodimer is the first repair protein in the initial binding of double-strand break (DSB) ends following DNA damage, and is a component of nonhomologous end joining repair, the primary pathway for DSB repair in mammalian cells. In this study we constructed a full-length human Ku70 structure based on its crystal structure, and performed 20 ns conventional molecular dynamic (CMD) simulations on this protein and several other complexes with short DNA duplexes of different sequences. The trajectories of these simulations indicated that, without the topological support of Ku80, the residues in the bridge and C-terminal arm of Ku70 are more flexible than other experimentally identified domains. We studied the two missing loops in the crystal structure and predicted that they are also very flexible. Simulations revealed that they make an important contribution to the Ku70 interaction with DNA. Dislocation of the previously studied SAP domain was observed in several systems, implying its role in DNA binding. Targeted molecular dynamic (TMD) simulation was also performed for one system with a far-away 14bp DNA duplex. The TMD trajectory and energetic analysis disclosed detailed interactions of the DNA-binding residues during the DNA dislocation, and revealed a possible conformational transition for a DSB end when encountering Ku70 in solution. Compared to experimentally based analysis, this study identified more detailed interactions between DNA and Ku70. Free energy analysis indicated Ku70 alone is able to bind DNA with relatively high affinity, with consistent contributions from various domains of Ku70 in different systems. The functional implications of these domains in the processes of Ku heterodimerization and DNA damage recognition and repair can be characterized in detail based upon this analysis.

Hu, Shaowen

The importance of properties in modeling

Casting and welding of superalloys, stainless steel and titanium alloys are processes which can be improved through modeling of heat flow, fluid flow, residual stress development, and microstructural evolution. These simulations require inputs of thermophysical data, some of which involves the partially or totally liquid state. In particular, these processes involve melting, flow in the liquid, and solidification. Modeling of such processes can lead to an improved understanding of defects such as shrinkage, inclusions, cracks, incomplete filling (or penetration), macrosegregation, improper grain structure, and deviations from dimensional specifications. Effective modeling can shorten process development time and improve quality. An approach to these problems is to develop efficient models; validate through correlations with thermal, distortion, and microstructural data; run parametric studies; extract knowledge based rules; and apply to adaptive closed loop control systems. With the appropriate pre- and post-processing, such analyses can be made 'user friendly'. This would include graphical user interfaces as well as realistic images and color maps. In such form, these models can be used for sensitivity analyses, which are useful in defining appropriate sensors and in the development of control strategies. Such modeling can be done at several levels, e.g., the MARO level, modeling large scale phenomena such as heat and fluid flow or material deformation; the MICRO level, modeling the development of dendrites, grains or precipitates; or at the NANO level, modeling point defects, dislocations, stacking faults, etc. There are many computational issues associated with these simulations, e.g. computational efficiency and accuracy. In addition, there are many materials issues, not the least of which is the availability of accurate high temperature thermophysical data for complex alloys. This would include latent heat of fusion, temperature dependent heat capacity and thermal conductivity (for liquid and solid), viscosity, surface tension, thermal expansion, mechanical properties, etc. Preliminary data is frequently gathered from the literature; however, this is often not available for modern alloys. If additional data are required, measurements can be used; however, these are costly, time consuming and can be erroneous due to a lack of testing standards or impure materials. Microstructural predictors can be extracted from thermal information, e.g. cooling rate and thermal gradient; the prediction of microstructure is dependent on solidus and liquidus temperature, mushy zone permeability, the solidification curve, volume changes, phase transformations, alloying effects (such as surface tension or viscosity), mold/metal reactions, metal/environment reactions, etc. Defect maps may be needed to predict the onset of shrinkage, hot cracking or 'freckling'. Constants may be needed for stress relaxation, dendrite coarsening, vaporization, etc. Visualization was used as a tool to better comprehend complex data sets associated with the analysis of directional solidification (including crystal growth) and welding. Examples include not only isotherms, but also cooling rate, growth rate and thermal gradient. The latter two are not single valued scalars, but rather time and space dependent vector fields. Efficient models were developed for both casting and welding to predict heat flow and the relationship to dendrite and grain growth. These codes include many of the non-linear effects, e.g. radiation, which dominate these processes. The home-built FDM code(s) were designed to be useful not only to the scientist, but also to the process engineer. Special output can be requested to compare directly to experimental data. Visualization procedures were developed to visualize critical results, e.g. fusion zone width at the surface opposite that where the arc is applied ('penetration'). Both elaborate and simplified distortion analyses were carried out. It is clear that extensive mechanical property data are critical in order to accurately predict residual stress patterns. A scheme is currently being developed to integrate these modeling tools into a set of control algorithms; however, the success of this approach is critically dependent on the availability of accurate high temperature thermophysical data.

Giamei, A. F.