Relative energies of /1100/ tilt boundaries in aluminum oxide.
Aluminum oxide relative grain boundary energy and surface diffusion coefficient, considering thermal grooving of bicrystals with symmetrical tilt boundaries
Scott, W. D.↗
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Transfer function concept for ultrasonic characterization of material microstructures
The approach given depends on treating material microstructures as elastomechanical filters that have analytically definable transfer functions. These transfer functions can be defined in terms of the frequency dependence of the ultrasonic attenuation coefficient. The transfer function concept provides a basis for synthesizing expressions that characterize polycrystalline materials relative to microstructural factors such as mean grain size, grain-size distribution functions, and grain boundary energy transmission. Although the approach is nonrigorous, it leads to a rational basis for combining the previously mentioned diverse and fragmented equations for ultrasonic attenuation coefficients.
Vary, A.↗
Particle Segregation in Collisional Shearing Flows
The size segregation of flowing or shaken grains is a commonly observed phenomenon in industrial processes and in nature. In systems that do not involve much agitation of the grains, several mechanisms that involve gravity have been identified as leading to such segregation. In highly agitated flows, there is a mechanism independent of gravity that is available to drive separation of different grains. This is associated with spatial gradients in the energy of their velocity fluctuations. Because collisions between grains inevitably dissipate energy, collisional granular shear flows are usually of limited extent in the direction transverse to the flow. One consequence of this is that shear flows are strongly influenced by their boundaries. Because grains, on average, slip relative to boundaries, a bumpy or frictional boundary can convert slip energy into fluctuation energy. However, because each collision between a grain and the boundary dissipates fluctuation energy, there is a competition between production and dissipation. In principle, it is possible to design the geometry of the boundary - for example, the size and spacing of the bumps - so that the boundary either produces or dissipates fluctuation energy. This permits the control of the component of the spatial gradient of the fluctuation energy that is normal to the boundary. The gradients in fluctuation energy established by such boundaries may be exploited to drive the separation by size or other properties in a binary mixture of spherical grains. Microgravity makes the visual observations possible by permitting us to employ moderate rates of shear. On earth, the effects of gravity can be minimized by shearing so rapidly that the particle pressure overwhelms gravity. However, in this event, separation takes place too rapidly for visual observation, buoyancy and/or condensation associated with the centripetal acceleration must be accounted for, and the particles can be severely damaged. Because, in the absence of gravity, the only available time scale is proportional to the speed of the moving boundary, this speed can be made arbitrarily slow to permit observations and to avoid particle damage, without altering the phenomenon under study. The primary goal of this research is to carry out a physical experiment in which particle segregation is induced and maintained in a collisional flow of a binary mixture of two different types of spheres.
Jenkins, J. T.↗
Stress corrosion of high strength aluminum alloys.
An investigation has been carried out to examine the relationship of the observed chemical and mechanical properties of Al-Cu and Al-Zn-Mg alloys to the stress corrosion mechanisms which dominate in each case. Two high purity alloys and analogous commercial alloys were selected. Fundamental differences between the behavior of Al-Cu and of Al-Zn-Mg alloys were observed. These differences in the corrosion behavior of the two types of alloys are augmented by substantial differences in their mechanical behavior. The relative cleavage energy of the grain boundaries is of particular importance.
Cocks, F. H.↗
Determination of the mean solid-liquid interface energy of pivalic acid
A high-confidence solid-liquid interfacial energy is determined for an anisotropic material. A coaxial composite having a cylindrical specimen chamber geometry provides a thermal gradient with an axial heating wire. The surface energy is derived from measurements of grain boundary groove shapes. Applying this method to pivalic acid, a surface energy of 2.84 erg/sq cm was determined with a total systematic and random error less than 10 percent. The value of interfacial energy corresponds to 24 percent of the latent heat of fusion per molecule.
Singh, N. B.↗
Molecular Dynamics Simulations of Austenite-Martensite Interfaces in NiTi Shape Memory Alloys
The unique properties of shape memory alloys (SMAs) arise from a reversible martensitic transformation. The nucleation and migration of austenite-martensite interfaces are the key to understanding the SMA properties. Molecular dynamics (MD) simulations can provide important atomic-scale information about these aspects of the transformation, but their time scales prevent the interface formation under near-equilibrium conditions relevant to experiment. We present a new MD methodology which allows for the natural formation of energetically preferred austenite-martensite interfaces under near-equilibrium conditions. Our simulation demonstrates that the interfaces in NiTi are semi-coherent, composed of a series of terrace planes and structural disconnections, and they migrate rapidly through single crystals with only a small thermodynamic driving force. In bi-crystals and polycrystals, the migration of these same interfaces is significantly impeded by grain boundaries and stored elastic energy. This behavior can result in SMA hysteresis via several mechanisms associated with nucleation and non-elastic strain accommodation.
Gabriel Plummer↗
Dynamics of Nanoscale Grain-Boundary Decohesion in Aluminum by Molecular-Dynamics Simulation
The dynamics and energetics of intergranular crack growth along a flat grain boundary in aluminum is studied by a molecular-dynamics simulation model for crack propagation under steady-state conditions. Using the ability of the molecular-dynamics simulation to identify atoms involved in different atomistic mechanisms, it was possible to identify the energy contribution of different processes taking place during crack growth. The energy contributions were divided as: elastic energy, defined as the potential energy of the atoms in fcc crystallographic state; and plastically stored energy, the energy of stacking faults and twin boundaries; grain-boundary and surface energy. In addition, monitoring the amount of heat exchange with the molecular-dynamics thermostat gives the energy dissipated as heat in the system. The energetic analysis indicates that the majority of energy in a fast growing crack is dissipated as heat. This dissipation increases linearly at low speed, and faster than linear at speeds approaching 1/3 the Rayleigh wave speed when the crack tip becomes dynamically unstable producing periodic dislocation bursts until the crack is blunted.
Yamakov, V.↗
Surface Passivation and Junction Formation Using Low Energy Hydrogen Implants
New applications for high current, low energy hydrogen ion implants on single crystal and polycrystal silicon grain boundaries are discussed. The effects of low energy hydrogen ion beams on crystalline Si surfaces are considered. The effect of these beams on bulk defects in crystalline Si is addressed. Specific applications of H+ implants to crystalline Si processing are discussed. In all of the situations reported on, the hydrogen beams were produced using a high current Kaufman ion source.
Fonash, S. J.↗
A Compendium of Scale Surface Microstructures: Ni(pt)al Coatings Oxidized at 1150 C for 2000 1-h Cycles
The surface structure of scales formed on Ni(Pt)Al coatings was characterized by SEM/EDS/BSE in plan view. Two nominally identical {100} samples of aluminide coated CMSX4 single crystal were oxidized at 1150 C for 2000 1-h cycles and were found to produce somewhat disparate behavior. One sample, with less propensity for coating grain boundary ridge deformation, presented primarily alpha-Al2O3 scale structures, with minimal weight loss and spallation. The original scale structure, still retained over most of the sample, consisted of the classic theta-alpha transformation-induced ridge network structure, with approx. 25 nm crystallographic steps and terraces indicative of surface rearrangement to low energy alumina planes. The scale grain boundary ridges were often decorated with a fine, uniform distribution of (Hf,Ti)O2 particles. Another sample, producing steady state weight losses, exhibited much interfacial spallation and a complex assortment of different structures. Broad areas of interfacial spalling, crystallographically-faceted (Ni,Co)(Al,Cr)2O4 spinel, with an alpha-Al2O3 base scale, were the dominant features. Other regions exhibited nodular spinel grains, with fine or (Ta,Ti)-rich (rutile) particles decorating or interspersed with the spinel. While these features were consistent with a coating that presented more deformation at extruded grain boundaries, the root cause of the different behavior between the duplicate samples could not be conclusively identified.
Smialek, James L.↗
Influence of Microstructural Features on Austenite-Martensite Interfaces in NiTi Shape Memory Alloys
Shape memory alloys (SMAs) exhibit several unique thermomechanical properties due to a reversible martensitic phase transformation. A key aspect of this transformation is the austenite-martensite interface. Here we present a molecular dynamics (MD) simulation methodology to study the atomic-scale features of austenite-martensite interface migration under near-equilibrium conditions. In single crystals, the interfaces migrate rapidly with only a small thermodynamic driving force. In polycrystals, however, interface migration is significantly impeded due to the change in orientation relationship at grain boundaries and the stored elastic energy resulting from microstructural constraints. This behavior can be linked to several mechanisms associated with transformation width and hysteresis in SMAs, properties of great importance for applications involving actuation. Additionally, we will present preliminary MD simulation results on the influence of precipitates on the formation and migration of austenite-martensite interfaces.
Gabriel Plummer↗
Influence of Microstructural Features on Austenite-Martensite Interfaces in NiTi Shape Memory Alloys
Shape memory alloys (SMAs) exhibit several unique thermomechanical properties due to a reversible martensitic phase transformation. A key aspect of this transformation is the austenite-martensite interface. Here we present a molecular dynamics (MD) simulation methodology to study the atomic-scale features of austenite-martensite interface migration under near-equilibrium conditions. In single crystals, the interfaces migrate rapidly with only a small thermodynamic driving force. In polycrystals, however, interface migration is significantly impeded due to the change in orientation relationship at grain boundaries and the stored elastic energy resulting from microstructural constraints. This behavior can be linked to several mechanisms associated with transformation width and hysteresis in SMAs, properties of great importance for applications involving actuation. Additionally, we will present preliminary MD simulation results on the influence of precipitates on the formation and migration of austenite-martensite interfaces.
Gabriel Plummer↗
Energetics and structural properties of twist grain boundaries in Cu
Structural and energetics properties of atoms near a grain boundary are of great importance from theoretical and experimental standpoints. From various experimental work it is concluded that diffusion at low temperatures at polycrystalline materials take place near grain boundary. Experimental and theoretical results also indicate changes of up to 70 percent in physical properties near a grain boundary. The Embedded Atom Method (EAM) calculations on structural properties of Au twist grain boundaries are in quite good agreement with their experimental counterparts. The EAM is believed to predict reliable values for the single vacancy formation energy as well as migration energy. However, it is not clear whether the EAM functions which are fitted to the bulk properties of a perfect crystalline solid can produce reliable results on grain boundaries. One of the objectives of this work is to construct the EAM functions for Cu and use them in conjunction with the molecular static simulation to study structures and energetics of atoms near twist grain boundaries in Cu. This provides tests of the EAM functions near a grain boundary. In particular, we determine structure, single vacancy formation energy, migration energy, single vacancy activation energy, and interlayer spacing as a function of distance from grain boundary. Our results are compared with the available experimental and theoretical results from grain boundaries and bulk.
Karimi, Majid↗
High temperature tensile and creep behaviour of low pressure plasma-sprayed Ni-Co-Cr-Al-Y coating alloy
The high temperature tensile and creep behavior of low pressure plasma-sprayed plates of a typical Ni-Co-Cr-Al-Y alloy has been studied. From room temperature to 800 K, the Ni-Co-Cr-Al-Y alloy studied has nearly a constant low ductility and a high strength. At higher temperatures, it becomes weak and highly ductile. At and above 1123 K, the behavior is highly dependent on strain rate and exhibits classic superplastic characteristics with a high ductility at intermediate strain rates and a strain rate sensitivity of about 0.5. At either higher or lower strain rates, the ductility decreases and the strain rate sensitivities are about 0.2. In the superplastic deformation range, the activation energy for creep is 120 + or - 20 kJ/mol, suggesting a diffusion-aided grain boundary sliding mechanism. Outside the superplastic range, the activation energy for creep is calculated to be 290 + or - 20 kJ/mol.
Hebsur, M. G.↗
A dust-shell model of the infrared object HD 45677
A dust-shell model of the infrared star HD-45677 was constructed by means of a generalization of the mathematical techniques of Huang. The model shows that an isotropically scattering, uniform-density spherical circumstellar dust shell is able to account for the observed emergent energy distribution. The extinction properties of the grains required depend on the energy distribution incident on the inner boundary of the shell such that gray grains are needed if the stellar temperature is about 13,000 K and a reciprocal wavelength extinction law is indicated for a star of 20,000 K. This model for HD 45677 is compared with that of Dyck and Milkey, who propose free-free emission from a circumstellar gas shell to account for the observed infrared excess.
Apruzese, J. P.↗
Grain boundary sliding behaviour of copper and alpha brass at intermediate temperatures
The role of grain boundary sliding in copper and Cu-30 pct Zn in the temperature range 0.50-0.72 Tm, where Tm is the absolute melting point of the material, is examined. First, sliding data obtained on these materials are presented. The results indicate that the stress exponent for sliding is similar to that for lattice deformation, while the activation energy for sliding varies between 0.5 and 1.6 of the activation energy for creep. Several models proposed for grain boundary sliding are discussed, and it is shown that they do not account for the observed results on copper and alpha brass. A phenomenological model is proposed, where it is assumed that grain boundary sliding results from the glide of dislocations on secondary slip planes.
Raj, S. V.↗
Thermal effects in equilibrium surface segregation in a copper/10-atomic-percent-aluminum alloy using Auger electron spectroscopy
Equilibrium surface segregation of aluminum in a copper-10-atomic-percent-aluminum single crystal alloy oriented in the /111/ direction was demonstrated by using Auger electron spectroscopy. This crystal was in the solid solution range of composition. Equilibrium surface segregation was verified by observing that the aluminum surface concentration varied reversibly with temperature in the range 550 to 850 K. These results were curve fitted to an expression for equilibrium grain boundary segregation and gave a retrieval energy of 5780 J/mole (1380 cal/mole) and a maximum frozen-in surface coverage three times the bulk layer concentration. Analyses concerning the relative merits of sputtering calibration and the effects of evaporation are also included.
Ferrante, J.↗
Nanophase Nickel-Zirconium Alloys for Fuel Cells
Nanophase nickel-zirconium alloys have been investigated for use as electrically conductive coatings and catalyst supports in fuel cells. Heretofore, noble metals have been used because they resist corrosion in the harsh, acidic fuel cell interior environments. However, the high cost of noble metals has prompted a search for less-costly substitutes. Nickel-zirconium alloys belong to a class of base metal alloys formed from transition elements of widely different d-electron configurations. These alloys generally exhibit unique physical, chemical, and metallurgical properties that can include corrosion resistance. Inasmuch as corrosion is accelerated by free-energy differences between bulk material and grain boundaries, it was conjectured that amorphous (glassy) and nanophase forms of these alloys could offer the desired corrosion resistance. For experiments to test the conjecture, thin alloy films containing various proportions of nickel and zirconium were deposited by magnetron and radiofrequency co-sputtering of nickel and zirconium. The results of x-ray diffraction studies of the deposited films suggested that the films had a nanophase and nearly amorphous character.
Narayanan, Sekharipuram↗
A quantitative study of factors influencing lamellar eutectic morphology during solidification
The factors that influence the shape of the solid-liquid interface of a lamellar binary eutectic alloy are evaluated. Alloys of carbon tetrabromide and hexachloroethane which serve as a transparent analogue of lamellar metallic eutectics are used. The observed interface shapes are analyzed by computer-aided methods. The solid-liquid interfacial free energies of each of the individual phases comprising the eutectic system are measured as a function of composition using a 'grain boundary groove' technique. The solid-liquid interfacial free energy of the two phases are evaluated directly from the eutectic interface. The phase diagram for the system, the heat of fusion as a function of composition, and the density as a function of composition are measured. The shape of the eutectic interface is controlled mainly by the solid-liquid and solid-solid interfacial free energy relationships at the interface and by the temperature gradient present, rather than by interlamellar diffusion in the liquid at the interface, over the range of growth rates studied.
Kaukler, W. F. S.↗