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Showing papers in "Journal of Materials Research in 1990"


Journal ArticleDOI
TL;DR: In this paper, a new parameter, hardness/modulus2 (H/E2), was derived from the equations used to calculate the hardness and elastic modulus from data taken during continuous depth-sensing microindentation tests.
Abstract: A new parameter, hardness/modulus2 (H/E2), has been derived from the equations used to calculate the hardness and elastic modulus from data taken during continuous depth-sensing microindentation tests. This paper discusses the use of this parameter to treat the data obtained from a sample whose surface roughness was of the same scale as the size of the indents. The resulting data were widely scattered. This scatter was reduced when the data were plotted in terms of H/E2 versus stiffness. The effect of surface roughness on the hardness and elastic modulus results is removed via stiffness measurements, provided single contacts are made between the indenter and the specimen. The function relating the cross-sectional area of the indenter versus the distance from its point is not required for calculation of H/E2, but the hardness and modulus cannot be determined separately. The parameter H/E2 indicates resistance to plastic penetration in this case.

352 citations


Journal ArticleDOI
TL;DR: In this paper, Young's modulus and strain rate sensitivity of nanophase TiO2 have been investigated and shown to increase linearly with sintering temperature over the range 25-900°C but come to within only 50-70% of single crystal values.
Abstract: Nanoindenter techniques have been used to determine the hardness. Young’s modulus, and strain rate sensitivity of nanophase TiO2, which is currently available only in very small quantities and which cannot be tested by most conventional techniques. Hardness and Young’s modulus both increase linearly with sintering temperature over the range 25–900°C but come to within only 50–70% of the single crystal values. Strain rate sensitivity, on the other hand, is measurably greater for this material than for single crystal rutile, and the value of strain rate sensitivity increases as the grain size and the sintering temperature are decreased. In its as-compacted form, the strain rate sensitivity of nanophase TiO2 is approximately a quarter that of lead at room temperature, indicating a potential for significant ductility in these ceramic materials. Finally, a significant scatter in hardness values has been detected within individual nanophase samples. This is interpreted as arising from microstructural inhomogeneity in these materials.

344 citations


Journal ArticleDOI
TL;DR: In this article, a microprobe study of as-compacted nanophase TiO{sub 2} was carried out to investigate the spatial inhomogeneity of its anatase and rutile phases.
Abstract: A Raman microprobe study of as-compacted nanophase TiO{sub 2} was carried out to investigate the spatial inhomogeneity of its anatase and rutile phases. Also, changes in the observed Raman spectra (line shifts and broadening) were investigated as a function of annealing at temperatures up to 600 {degree}C in argon or air. Microscopic phase inhomogeneity is observed and Raman spectral changes are shown to result from inhomogeneous oxygen deficiency in the nanophase TiO{sub 2}. The line positions corresponding to the Raman active {ital E}{sub {ital g}} modes in both anatase and rutile are found to be sensitive to this oxygen deficiency and are potential quantitative indicators of such deviations from stoichiometry.

333 citations


Journal ArticleDOI
TL;DR: A comprehensive review and state of the art in the field of surface, interface, and thin-film magnetism is presented in this article, where the current status and issues in the area of material growth techniques and physical properties, characterization methods, and theoretical methods and ideas are reviewed.
Abstract: A comprehensive review and state of the art in the field of surface, interface, and thin-film magnetism is presented. New growth techniques which produce atomically engineered novel materials, special characterization techniques to measure magnetic properties of low-dimensional systems, and computational advances which allow large complex calculations have together stimulated the current activity in this field and opened new opportunities for research. The current status and issues in the area of material growth techniques and physical properties, characterization methods, and theoretical methods and ideas are reviewed. A fundamental understanding of surface, interface, and thin-film magnetism is of importance to many applications in magnetics technology, which is also surveyed. Questions of fundamental and technological interest that offer opportunities for exciting future research are identified.

327 citations


Journal ArticleDOI
TL;DR: In this paper, a classification of complex lead perovskites is presented based on the relative scale of long-range cation order, and the implications of Cation order in relation to relaxor and normal ferroelectric behavior are discussed.
Abstract: From a number of studies on ferroelectric and related materials based on complex lead perovskites [Pb(Bx′B1−x″)O3], it is apparent that the B-site cation order influences the crystallography, phase transitions, and other physical properties. A classification of complex lead perovskites is presented based on the relative scale of long-range cation order. In particular, we discuss the implications of cation order in relation to relaxor and normal ferroelectric behavior.

317 citations


Journal ArticleDOI
TL;DR: The microstructural development of compacted nanocrystalline TiO2 powder was studied as a function of sintering temperature up to 1000°C in this article, where grain growth was monitored using x-ray diffraction and scanning electron microscopy.
Abstract: The microstructural development of compacted nanocrystalline TiO2 powder was studied as a function of sintering temperature up to 1000°C. Grain growth was monitored using x-ray diffraction and scanning electron microscopy. The specific surface area and total porosity were determined quantitatively using the nitrogen adsorption BET. The density was measured by gravimetry using Archimedes principle. The green body density of compacted n-TiO2 with average grain size of 14 nm is as high as 75% of theoretical bulk density. Low temperature surface diffusion leads to the disappearance of small pores, while noticeable densification commences at 600°C and reaches near theoretical values at 900°C. Grain growth also begins at 600°C, accelerating rapidly by 1000°C. Hot isostatic pressing is observed to enhance densification while suppressing grain growth.

310 citations


Journal ArticleDOI
TL;DR: In this article, the ordered fcc intermetallic compound Ni3Al was mechanically milled in a high energy ball mill and the severe plastic deformation produced by milling induced transformations with increasing milling time was described.
Abstract: The ordered fcc intermetallic compound Ni3Al was mechanically milled in a high energy ball mill. The severe plastic deformation produced by milling induced transformations with increasing milling time as follows: ordered fcc → 2; disordered fcc → 2; nanocrystalline fcc + amorphous. The milling time for complete disordering occurred at 5 h for stoichiometric Ni3Al milled at ambient temperature compared to 50 h for the first observation of an amorphous structure. The structural and microstructural evolution with milling time was followed by x-ray diffraction, TEM, hardness, and calorimetry. The major defect believed responsible for inducing the crystalline-to-amorphous transformation is the fine grain boundary structure with nanometer (∼2 nm diameter) dimensions. The calculated interfacial free energy of the grain boundaries is consistent with the estimated free energy difference between the fcc and amorphous phases in Ni3Al.

249 citations


Journal ArticleDOI
TL;DR: In this article, a graphite target in a mixed argon/nitrogen plasma was prepared by rf diode sputtering of graphite targets in order to produce thin C:N films.
Abstract: Thin C:N films were prepared by rf diode sputtering of a graphite target in a mixed argon/nitrogen plasma. We have observed a systematic variation of the properties of these C:N films with an increase in the nitrogen partial pressure. XPS, AES, and TEM studies show that nitrogen will stabilize the diamond sp3 bonding. From XPS studies, we found that the density of our C:N films is increased from 1.37 × 1023 atoms/cm3 to 1.63 × 1023 atoms/cm3 using a 100% nitrogen plasma. The energy gap of our nitrogen carbon also shows an increase from 1.1 eV to 1.4 eV using a 100% nitrogen plasma. The mechanical properties also are shown to be enhanced for certain applications. By using the same method, we can also show that it can produce 100% amorphous C:N films which are more diamond-like as compared with other methods.

228 citations


Journal ArticleDOI
TL;DR: In this article, the oxygen-related defect in an aluminum nitride (AIN) single crystal and in polycrystalline ceramics was investigated utilizing photoluminescence spectroscopy, thermal conductivity measurements, x-ray diffraction lattice parameter measurements, and transmission electron microscopy.
Abstract: The oxygen-related defect in an aluminum nitride (AIN) single crystal and in polycrystalline ceramics is investigated utilizing photoluminescence spectroscopy, thermal conductivity measurements, x-ray diffraction lattice parameter measurements, and transmission electron microscopy. The results of these measurements indicate that at oxygen concentrations near 0.75 at.%, a transition in the oxygen accommodating defect occurs. On both sides of this transition, simple structural models for the oxygen defect are proposed and shown to be in good agreement with the thermal conductivity and lattice parameter measurements, and to be consistent with the formation of various extended defects (e.g., inversion domain boundaries) at higher oxygen concentrations.

224 citations


Journal ArticleDOI
TL;DR: In this article, a pyrolysis of zirconium acetate precursor films, which were deposited on single crystal Al2O3 substrates by spin-coating aqueous solutions of ZrO2 and yttrium nitrate, was investigated to determine the mechanism that causes the polycrystalline film to uncover the substrate.
Abstract: Dense polycrystalline thin films of ZrO2 (3 and 8 mol % Y2O3) were produced by the pyrolysis of zirconium acetate precursor films, which were deposited on single crystal Al2O3 substrates by spin-coating aqueous solutions of zirconium acetate and yttrium nitrate. Dense films were heat treated to encourage grain growth. With grain growth, these films broke into islands of ZrO2 grains. Identical areas were examined after each heat treatment to determine the mechanism that causes the polycrystalline film to uncover the substrate. Two mechanisms were detailed: (a) for a composition which inhibited grain growth and produced a polycrystalline film with very small grains, the smallest grains would disappear to uncover the substrate, and (b) for a composition which did not inhibit grain boundary motion, larger grains grew by enveloping a smaller grain and then developed more spherical surface morphologies, uncovering the substrate at three grain junctions. In both cases, the breakup phenomenon occurred when the average grain size was larger than the film thickness. Thermodynamic calculations show that this breakup lowers the free energy of the system when the grain-size-to-film-thickness ratio exceeds a critical value. These calculations also predict the conditions needed for polycrystalline thin film stability.

217 citations


Journal ArticleDOI
TL;DR: The Surface Forces Apparatus (SFA Mark III) as discussed by the authors was designed for measuring the forces between surfaces in vapors and liquids, and four stages of increasingly sensitive distance controls replace the three control stages of previous apparatuses.
Abstract: A new miniature Surface Forces Apparatus (SFA Mark III) is described for measuring the forces between surfaces in vapors and liquids. The apparatus employs similar techniques to those used in current SFAs, but it is easier to operate and is generally more user-friendly. Four stages of increasingly sensitive distance controls replace the three control stages of previous apparatuses. The first three stages allow for rapid manual control of surface separation to within 10 A, while the fourth piezo-control stage has a sensitivity of better than 1 A. All four distance controls have been specially designed to produce perfectly linear displacements of the surfaces. In addition, the SFA Mk III is more robust, less susceptible to thermal drifts, easier to clean, and requires smaller quantities of liquid than conventional SFAs. The high performance of this new instrument is illustrated in the succeeding paper (Part II), which describes the subtle effects of surface lattice mismatch on the oscillatory forces in water in the distance regime from 0 to 10 A.

Journal ArticleDOI
TL;DR: In this article, the electronic mechanism behind the brittle fracture of trialuminide alloys was investigated using the full-potential linearized augmented plane-wave (FLAPW) total energy method within the local density functional approach.
Abstract: The electronic mechanism behind the brittle fracture of trialuminide alloys is investigated using the full-potential linearized augmented plane-wave (FLAPW) total-energy method within the local density functional approach. To this end, the bulk phase stability, the elastic constants, the anti-phase boundary (APB) energy, the superlattice intrinsic stacking fault (SISF) energy, and the cleavage energy on different crystallographic planes have been determined. A small energy difference (=0.10 eV/unit formula) is found between the DO22 and L12 structures of Al3Ti. In general, the trialuminide alloys have large elastic modulus, small Poisson's ratio, and small shear modulus to bulk modulus ratio. An extremely high APB energy (=670 mJ/m2) on the (111) plane is found for Al3Sc, indicating that the separation between ½(110) partials of a (110)(111) superdislocation is small. Since the total superdislocation has to be nucleated essentially at the same time, a high critical stress factor for dislocation emission at the crack tip is suggested. The high APB energy on the (111) plane is attributed to the directional bonding of Sc(d-electron)-Al(p-electron). The same type of directional bonds is also found for Al3Ti. In addition, moderately high values of SISF energy (=265 mJ/m2) on the (111) plane and APB energy (=450 mJ/m2) on the (100) plane are found for Al3Sc. The brittle fracture of trialuminide alloys is attributed to the higher stacking fault energies and a lower cleavage strength compared to those of a ductile alloy (e.g., Ni3Al). While the (110) surface has the highest surface energy, the cleavage strength (=19 GPa) of Al3Sc is found to be essentially independent of the crystallographic planes. The directional Sc—Al bond becomes even stronger on the (110) surface, which may explain the preferred (110) type cleavage observed by experiment.

Journal ArticleDOI
TL;DR: The room-temperature tensile properties, fracture mode, and grain boundary chemistry of undoped stoichiometric NiAl, as well as NiAl doped with boron, carbon, and beryllium, have been investigated in this paper.
Abstract: The room-temperature tensile properties, fracture mode, and grain boundary chemistry of undoped stoichiometric NiAl, as well as NiAl doped with boron, carbon, and beryllium, have been investigated, Pure, stoichiometric NiAl fractures with limited tensile ductility in a predominantly intergranular manner. Auger analyses revealed that the grain boundaries in NiAl are extremely clean and free of any segregated impurities, indicating that they are intrinsically brittle. Boron, when added to stoichiometric NiAl at a bulk level of 300 wt. ppm, segregates to the grain boundaries and suppresses intergranular fracture. However, there is no attendant improvement in tensile ductility because boron is an extremely potent solid solution strengthener in NiAl, more than doubling its yield strength. As a result, any potential benefit of improving grain boundary strength is more than offset by the increase in yield strength. Unlike boron, both carbon (300 ppm) and beryllium (500 ppm) are ineffective in suppressing intergranular fracture in NiAl, and Auger analyses of the C-doped alloy revealed that carbon did not affect the fracture mode because it did not segregate to the grain boundaries. Although neither beryllium nor carbon suppressed grain boundary fracture, their effects on the tensile ductility of NiAl were quite different: the ductility of the Be-doped alloy was higher than that of the B-doped alloy because beryllium, unlike boron, has a rather modest strengthening effect in NiAl, whereas the C-doped alloy was brittle like the B-doped alloy, because carbon is a potent solid solution strengthener, just like boron. These observations were rationalized by considering a hard-sphere model for interstitial and substitutional sites in NiAl. It was concluded that boron and carbon occupy interstitial sites, whereas beryllium dissolves substitutionally. In all the alloys that were investigated, the Ni and Al contents of the grain boundaries were not significantly different from the bulk levels, and no evidence was found for B–Ni cosegregation.

Journal ArticleDOI
TL;DR: In this paper, high-temperature x-ray diffraction, differential thermal analysis, and differential scanning calorirmetry have been performed on LaGaO3, NdGaO-3, PrGaO 3, SmAlO3 and LaAlO 3 single crystals.
Abstract: Dilatometry, high-temperature x-ray diffraction, differential thermal analysis, and differential scanning calorirmetry have been performed on LaGaO3, NdGaO3, PrGaO3, SmAlO3, and LaAlO3 single crystals grown by the Czochralski technique. First order phase transitions have been located at 145°C for LaGaO3 and 785°C for SmAlO3, and ΔH has been measured for the LaGaO3 transition. Second order transitions have been identified for LaGaO3, PrGaO3, NdGaO3, and LaAlO3. The usefulness of these compounds as substrates for high temperature superconducting films is discussed in terms of thermal expansion matching.

Journal ArticleDOI
TL;DR: In this article, the effects of self-radiation damage as a function of cumulative alpha-decay events in synthetic zircon doped with 238Pu and natural zircons damaged over geologic time are compared and interpreted in terms of the accumulation of both defects and amorphousness.
Abstract: The effects of self-radiation damage as a function of cumulative alpha-decay events in synthetic zircon doped with 238Pu and natural zircons damaged over geologic time are compared and interpreted in terms of the accumulation of both defects and amorphousness. The radiation-induced unit-cell expansion and amorphization result in macroscopic swelling that increases sigmoidally with cumulative decay events and saturates at a fully amorphous state. The derived amorphous fraction as a function of cumulative dose is consistent with models based on the multiple overlap of displacement cascades, indicating that amorphization in zircon occurs as a result of the local accumulation of high defect concentrations rather than directly within a displacement cascade. Annealing of point defects in the natural zircons suppresses initial swelling and delays the onset of amorphization. Full recrystallization of the zircon structure from the amorphous state occurs in two stages, with kinetics and activation energies consistent with the reported thermal stability of the amorphous state. This study further confirms that actinide doping is a viable accelerated technique to study or simulate radiation effects from alpha decay on geologic time scales.

Journal ArticleDOI
TL;DR: In this article, the chemical structures of thin films of amorphous carbon (C) and hydrogenated carbon (a-C: H) were determined using magnetron sputtering of a graphite target.
Abstract: Thin films of amorphous carbon (–C) and amorphous hydrogenated carbon (a–C: H) were prepared using magnetron sputtering of a graphite target. The chemical structures of the films were characterized using electron energy loss spectroscopy (EELS) and Raman spectroscopy. The mass density, hardness, residual stress, optical band gap, and electrical resistivity were determined, and their relation to the film’s chemical structure are discussed. It was found that the graphitic component increases with increasing sputtering power density. This is accompanied by a decrease in the electrical resistivity, optical band gap, mass density, and hardness. Increasing the hydrogen content in the sputtering gas mixture results in decreasing hardness (14 GPa to 3 GPa) and mass density, and increasing optical band gap and electrical resistivity. The variation in the physical properties and chemical structures of these films can be explained in terms of the changes in the volume of sp2-bonded clusters in the a–C films and changes in the termination of the graphitic clusters and sp3-bonded networks by hydrogen in the a–C: H films.

Journal ArticleDOI
TL;DR: In this paper, the infrared transmission spectra of four silicate glasses were investigated, and it was shown that water had little effect on the spectra for the 70SiO2−20Na2O−10Al2O3 (mol %) and Pyrex compositions, but had a large effect for the Corning 015 compositions.
Abstract: The infrared transmission spectra of four silicate glasses were investigated. By using blown glass films, 1–2 μm thick, detailed infrared transmission spectra were generated over the 4000–180 cm−1 range, both before and after the films were exposed to water. The water had little effect on the spectra of the 70SiO2–20Na2O–10Al2O3 (mol %) and Pyrex compositions, but had a large effect on the spectra of the 70SiO2–30Na2O (mol %) and Corning 015 compositions. The Si–O nonbridged stretching band at ∼950 cm−1 and a largely overlooked bending band at ∼600 cm−1 were the bands most sensitive to hydration in the 70/30 and 015 compositions. Changes were also seen in the Si–O–Si bridged stretching bands at ∼1050 cm−1 and ∼770 cm−1. The water, however, had no effect on the dominant Si–O–Si bending band at 460 cm−1. It was also discovered that the 70/30 and 015 films reacted with the atmosphere to form a carbonate layer on their surface. This carbonate accounted for the 1450 cm−1 and 230 cm−1 bands seen in their infrared transmission spectra.

Journal ArticleDOI
TL;DR: In this article, the phases formed upon heating these precipitates are described and rationalized based upon a theory of hydrolytic polymerization which had been proposed at an earlier stage.
Abstract: Solutions of zirconyl salts can be treated in a variety of ways to precipitate hydrous amorphous ZrO2. The phases formed upon heating these precipitates are described and rationalized based upon a theory of hydrolytic polymerization which had been proposed at an earlier stage.

Journal ArticleDOI
TL;DR: In this article, a thermodynamics-based description of melting and solid-state amorphization is proposed which brings out the parallels between these two phenomena and suggests that their underlying causes are apparently the same.
Abstract: A thermodynamics-based description, in the form of an extended phase diagram, of melting and solid-state amorphization is proposed which brings out the parallels between these two phenomena and suggests that their underlying causes are apparently the same. Through molecular dynamics simulations we demonstrate that every crystal, in principle, can undergo two different types of melting transitions with characteristic features that are also observed in radiation- and hydrogenation-induced amorphization experiments on ordered alloys. The first type, defined in terms of free energies, is shown to involve the heterogeneous nucleation of the liquid or amorphous phase at extended lattice defects (such as grain boundaries, free surfaces, voids, or dislocations) and subsequent thermally-activated propagation of solid-liquid/amorphous interfaces through the crystal. The second type, arising from a mechanical instability limit described by Born, is homogeneous and does not require thermally-activated atom mobility. It is suggested that the role of chemical and structural disordering, a prerequisite for irradiation- but not hydrogenation-induced solid-state amorphization, is merely to drive the crystal lattice to a critical combination of volume and temperature at which the amorphous phase can form either heterogeneously or homogeneously.

Journal ArticleDOI
TL;DR: In this article, a model for investigating the influence of distributed disorder on the failure of brittle materials is introduced, which assumes that microstructural features of a material can be represented by simple linear springs with a failure threshold.
Abstract: A model for investigating the influence of distributed disorder on the failure of brittle materials is introduced. The model assumes that microstructural features of a material can be represented by simple linear springs with a failure threshold, and that the entire material can be represented by a connected network of such springs. Distributed disorder is introduced by allowing spring-to-spring variations in spring characteristics such as the modulus and the failure strain. The conditions under which such a spring network model is valid for studying failure are discussed. The consequences of distributed residual stress disorder on macroscopic mechanical behavior are then studied using the network model, and a brittle to ductile-like transition in the stress-strain behavior is observed with increasing disorder. All the qualitative features of the network results can be described theoretically by a statistical analysis of this problem. Finally, notch tests are performed to evaluate the strength and toughness of the ductile-like materials as compared to the uniform (no disorder) material, and the ductile-like material is found to have (i) a larger work of fracture, (ii) comparable strength in the presence of processing flaws, and (iii) the possibility of larger toughness. Based on these results, the possibility of observing such ductile-like behavior in real composite materials is discussed.

Journal ArticleDOI
TL;DR: In this article, a NiTi intermetallic compound was cold rolled at room temperature by 30% and 60% thickness reductions, and microstructures were studied by means of transmission electron microscopy (TEM).
Abstract: A NiTi intermetallic compound was cold rolled at room temperature by 30% and 60% thickness reductions, and microstructures were studied by means of transmission electron microscopy (TEM). In the cold-rolled samples we observed both a phase of nanometer-sized crystals and an amorphous phase. A substantially high dislocation density, 1013 to 1014/cm2, was evident in the transition region between crystalline and amorphous phases. A simple estimate of the elastic energy arising from this dislocation density is of the same order as the crystallization energy, suggesting that dislocation accumulation is a major driving force for amorphization in cold-rolled NiTi.

Journal ArticleDOI
TL;DR: A number of nonequilibrium techniques have been developed for the growth of epitaxial semiconductors, insulators, and metals which have led to new classes of artificially structured materials as discussed by the authors.
Abstract: During the past decade, nonequilibrium techniques have been developed for the growth of epitaxial semiconductors, insulators, and metals which have led to new classes of artificially structured materials. Structures can now be grown which present the materials scientist with systems that exhibit new properties and demonstrate new physical concepts. For example, quantum-well structures with molecular dimensions give rise to new phenomena resulting from quantum mechanical effects. Layered structures with periodicity of a few atomic layers result in coherent behavior for long-range interactions such as magnetism in metallic systems. Metastable structures can be generated which possess important properties not present in equilibrium systems. Studies of these materials are leading to significant advances in our basic understanding of the physics of materials as well as to important new technologies. Despite the rate of progress and the large number of laboratories throughout the world with active programs in various aspects of epitaxial growth, our current understanding of the processes which control growth at a fundamental, atomic level is remarkably primitive. Much of the work to date has been driven by the motivation to produce high quality materials for high performance electronic devices. As a result, most of the effort in epitaxial materials hasmore » concentrated on semiconductors, particularly GaAs and related compounds.« less

Journal ArticleDOI
TL;DR: In this article, high quality diamond thin films were deposited on different substrates at temperatures from 300 to 1000 °C by the microwave plasma enhanced chemical vapor deposition (MPCVD) system.
Abstract: High quality diamond thin films were deposited on different substrates at temperatures from 300 to 1000 °C by the microwave plasma enhanced chemical vapor deposition (MPCVD) system. The quality of deposited diamond films was improved by adding oxygen in the gas mixtures. Different ratios of methane to oxygen concentration in hydrogen at different temperatures have been studied. At high temperatures (800–1000 °C), the addition of oxygen will not only enhance the growth rate of deposited films but also extend the region of diamond formation. At low temperatures ( 900 °C) were either graphitic or diamond containing a large amount of graphitic or amorphous carbon and at low temperatures (<500 °C) were white, soot-like coatings which were easily scraped off. The quality of the deposited films was characterized by Raman spectroscopy and scanning electron microscopy.

Journal ArticleDOI
TL;DR: In this article, a series of simulations have been performed on grain boundaries in Ni and Ni3Al with and without boron doping using embedded atom-style potentials, and good agreement with existing experimental structural and energetic determinations was obtained.
Abstract: A series of simulations has been performed on grain boundaries in Ni and Ni3Al with and without boron doping using embedded atom-style potentials. A new procedure of obtaining “reference” data for boron related properties from electronic band structure calculations has been employed. Good agreement with existing experimental structural and energetic determinations was obtained. Boron is found to segregate more strongly to grain boundaries than to free surfaces. Adding boron to grain boundaries in Ni and Ni3Al increases their cohesive strength and the work required to pull apart the boundary. This effect is much more dramatic for Ni-rich boundaries than for stoichiometric or Al-rich boundaries. In some Ni-rich cases, adding boron increases the cohesive strength of the boundary to such an extent that the boundaries become stronger than the bulk. Bulk Ni3Al samples that are Ni-rich produce Ni-rich grain boundaries. The best cohesive properties of Ni3Al grain boundaries are obtained when the boundary is Ni saturated and also with boron present. Boron and nickel are found to cosegregate to the grain boundaries.

Journal ArticleDOI
TL;DR: In this article, it was suggested that the metastable fcc structure has formed as a result of the heavy mechanical deformation of the hep structure introduced during milling, which led to its decomposition forming the equilibrium phases, viz., elemental titanium and magnesium.
Abstract: The solid solubility of magnesium in titanium under equilibrium conditions is reported to be extremely small. Mechanical alloying of a mixture of titanium and magnesium powders resulted in the formation of nanocrystalline (10–15 nm in size) grains of Ti–Mg solid solution. This solid solution has a metastable fcc structure with a = 0.426 nm and contains about 3 wt.% (6 at.%) magnesium in it. It is suggested that the fcc structure has formed as a result of the heavy mechanical deformation of the hep structure introduced during milling. High temperature annealing of the metastable solid solution led to its decomposition forming the equilibrium phases, viz., elemental titanium and magnesium.

Journal ArticleDOI
TL;DR: In this article, the authors have modeled diamond growth on substrates placed in a high velocity 1-dimensional flow of partially dissociated hydrogen gas at 800 °C and showed that diamond is formed only near the injector.
Abstract: We have modeled plasma-assisted diamond growth on substrates placed in a high velocity 1-dimensional flow. The gas consisted of methane or acetylene injected into a flow of partially dissociated hydrogen gas at 800 °C. Diamond is formed only near the injector. More diamond is formed when methane is the additive, and Raman spectra show that the quality of the diamond films is also higher when methane is the additive. The model, which includes detailed chemistry, convection, concentration diffusion, and thermal diffusion, shows that with this experimental arrangement only methane and methyl radicals are present in significant quantities when methane is added, while only acetylene is present when acetylene is added. We conclude that (1) Diamond films can be grown directly from methyl radicals (or, possibly, from methane) and from acetylene. This suggests that a variety of hydrocarbons could act as growth species. (2) An environment containing methane and methyl is much more effective for growing diamond films than one containing acetylene. (3) The quality of the diamond film depends on the identity of the growth species, with acetylene producing lower quality films than methyl (or methane). (4) The fall-off in diamond formation with distance from the injector is due to destruction of species crucial to diamond growth on the silicon substrates.

Journal ArticleDOI
TL;DR: In this article, the isothermal nucleation and crystallization kinetics of hydrothermally prepared monoclinic and tetragonal ZrO2 have been determined at various pH conditions.
Abstract: The isothermal nucleation and crystallization kinetics of hydrothermally prepared monoclinic and tetragonal ZrO2 have been determined at various pH conditions. It is shown that monoclinic ZrO2 precipitates at low pH whereas at high pH tetragonal ZrO2 crystallizes from an amorphous zirconium (hydrous) oxide, Zr(OH)xOy, precursor. At intermediate pH conditions mixtures of the polymorphs are formed suggestive of kinetically competing particle formation mechanisms. The data are explained by the proposed existence of three controlling regimes for the formation of crystalline ZrO2: dissolution/precipitation at low pH, a solubility controlled regime at intermediate pH values, and a gel structure controlled regime at high pH. Apparent activation energies for the nucleation and crystallization of monoclinic and tetragonal ZrO2 formed under hydrothermal conditions are presented.

Journal ArticleDOI
TL;DR: In the absence of in situ surface analytical capability in the SEM tribometer, the findings are interpreted based on relevant information collected from the literature as mentioned in this paper, which indicates that the friction of the respective tangentially sheared interfaces depends on the generation and annihilation of dangling bonds.
Abstract: Essentially pure, ~15 µm thick, polycrystalline diamond films DC-PACVD deposited on polycrystalline α–SiC flats were friction and wear tested against similarly coated α–SiC pins The oscillatory sliding tests were performed with a Knudsen cell-type, wide temperature range tribometer built into a scanning electron microscope Experiments were completed in 133 × 10–3 Pa (1 × 10–5 Torr) and 133 Pa (1 × 10–11 Torr) Pair, at test flat temperatures cycled to 850 °C and back to room temperature The results are compared with similar tests previously completed with diamond versus bare a-SiC and diamond versus Si(100) sliding combinations In the absence of in situ surface analytical capability in the SEM tribometer, the findings are interpreted based on relevant information collected from the literature The data indicate that the friction of the respective, tangentially sheared interfaces depends on the generation and annihilation of dangling bonds Desorption of hydrogen during heating and sliding under the electron beam, in vacuum, create unoccupied orbitals on the rubbing surfaces These dangling bonds spin-pair with others donated from the counterface, leading to high friction Resorption of adsorbates such as hydrogen (eg, by cooling the tribosystem) lowers the interfacial adhesion and friction At high temperatures, in vacuum, the interaction energy may also be reduced by surface reconstruction and graphitization At high temperatures, in Pair, the coefficient of friction of diamond versus itself is substantially lower than that in vacuum This reduction is most probably caused by the generation of oxidation products combined with the temperature-shear-oxygen-induced phase transformation of diamond to graphite The wide temperature wear rates of pure, polycrystalline diamond, characteristic of our test procedure, varied from ~4 × 10–16 m3/N • m in 133 × 10–3 Pa vacuum to ~1 × 10–15 m3/N • m in 133 Pair

Journal ArticleDOI
TL;DR: In this article, the atomic structure of liquid-quenched amorphous Al and Fe was studied by pulsed neutron and x-ray scattering, and it was shown that a strong interaction between the two elements modifies the structure of this glass, leading to chemical and topological short-range ordering.
Abstract: The atomic structure of liquid-quenched amorphous Al{sub 90}Fe{sub {ital x}}Ce{sub 10{minus}}{sub {ital x}} ({ital x}=5, 7) was studied by pulsed neutron and x-ray scattering. The atomic pair--density function determined by pulsed neutron diffraction indicates that a significant portion of Al--Fe distances are anomalously short, while some part of Al--Al distances are anomalously long. Both neutron and x-ray scattering showed the presence of a prepeak in the structure factor. These results suggest that a strong interaction between Al and Fe modifies the structure of this glass, leading to chemical and topological short-range ordering.

Journal ArticleDOI
TL;DR: In this article, the properties of CVD diamond are compared to those of conventional diamond, and to what extent they are unique, and it has been shown that the crystals are relatively free from structural and chemical defects, a conclusion reinforced by the absence of any zero-phonon lines in the absorption spectra of crystals which have been subjected to radiation damage and annealing at 800 °C.
Abstract: Absorption and cathodoluminescence spectra have been recorded for single crystals of diamond and polycrystalline films of diamond, grown by microwave-assisted chemical vapor deposition (CVD) using methane and hydrogen. The investigation has been carried out to see to what extent the properties of CVD diamond are similar to those of conventional diamond, and to what extent they are unique. Studies have been made of the as-grown material, which has not been intentionally doped, and also samples that have been subjected to radiation damage and thermal annealing. The single crystals grown using methane concentrations of 0.5 to 1.0% exhibit bright blue “band A” emission and also intense edge emission, similar to the cathodoluminescence spectra of some natural type IIa diamonds. This implies that the crystals are relatively free from structural and chemical defects, a conclusion which is reinforced by the absence of any zero-phonon lines in the absorption spectra of crystals which have been subjected to radiation damage and annealing at 800 °C. Before radiation damage the spectrum does, however, reveal an absorption which increases progressively to higher energies, and which may be associated with sp2-bonded carbon. The cathodoluminescence spectra after radiation damage indicate that the crystals contain some isolated nitrogen, and the detection of H3 luminescence, following thermal annealing at 800 °C, demonstrates for the first time that these samples contain small concentrations of nitrogen pairs. All of the polycrystalline films, grown using methane concentrations between 0.3 and 1.5%, have an absorption which increases progressively to higher energies, and which again is attributed to sp2-bonded carbon. This absorption is stronger in the films grown using higher methane concentrations. Films grown at a methane concentration of 0.3% also exhibit bright blue cathodoluminescence, although the edge emission is undetectably weak. The use of higher methane concentrations produces films with evidence in the cathodoluminescence spectra of nitrogen + vacancy and nitrogen + interstitial complexes, as well as optical centers unique to CVD diamond. One particular defect produces an emission and absorption line at 1.681 eV. By implanting conventional diamonds with 29Si ions it has been confirmed that this center involves silicon, and it has been shown that the 1.681 eV luminescence is relatively more intense in implanted diamonds which have a high concentration of isolated nitrogen.