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Equilibrium Diagram (equilibrium + diagram)

Distribution by Scientific Domains

Polymers and Materials Science	50%

Selected Abstracts

Electronic Structure and Bonding of All Crystalline Phases in the Silica,Yttria,Silicon Nitride Phase Equilibrium Diagram

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 11 2004
Wai-Yim Ching
This paper reviews the structures and properties of 10 binary, ternary, and quaternary crystals within the equilibrium phase diagram of the SiO2,Y2O3,Si3N4 system. They are binary compounds SiO2, Y2O3, Si3N4; ternary compounds Si2N2O, Y2Si2O7, and YSi2O5; and quaternary crystals Y2Si3N4O3 (M-melilite), Y4Si2O7N2, (N-YAM), YSiO2N (wallastonite), and Y10(SiO4)6N2 (N-apatite, N-APT). Although the binary compounds are well-known and extensively studied, the ternary and the quaternary crystals are not. Most of the ternary and the quaternary crystals simply have been referenced as secondary phases in the processing of nitrogen ceramics. Their crystal structures are complex and not precisely determined. In the quaternary crystals, there exists O/N disorder in that the exact atomic positions of the anions cannot be uniquely determined. It is envisioned that a variety of cation,anion bonding configurations exist in these complex crystals. The electronic structure and bonding in these crystals are, therefore, of great interest and are indispensable for a fundamental understanding of structural ceramics. We have used ab initio methods to study the structure and bonding properties of these 10 crystals. For crystals with unknown or incomplete structural information, we use an accurate total energy relaxation scheme to obtain the most likely atomic positions. Based on the theoretically modeled structures, the electronic structure and bonding in these crystals are investigated and related to various local cation,anion bonding configurations. These results are presented in the form of atom-resolved partial density of states, Mulliken effective charges, and bond order values. It is shown that Y,O and Y,N bonding are not negligible and should be a part of the discussion of the overall bonding schemes in these crystals. Spectroscopic properties in the form of complex, frequency-dependent dielectric functions, X-ray absorption near-edge structure (XANES), and the electron energy-loss near-edge structure (ELNES) spectra in these crystals also are calculated and compared. These results are discussed in the context of specific bonding configurations between cations (silicon and yttrium) and anions (oxygen and nitrogen) and their implications on intergranular thin films in polycrystalline Si3N4 containing rare-earth elements. [source]

In situ high temperature microscopy study of the surface oxidation and phase transformations in titanium alloys

JOURNAL OF MICROSCOPY, Issue 3 2002
S. Malinov
Summary Two popular commercial titanium alloys, Ti-6Al-4V and Ti-6Al-2Sn-4Zr-2Mo-0.08Si, were used for in situ high temperature microscopy study. The experiments were performed on an optical microscope equipped with high temperature stage using both normal and florescence lights. Two kinds of experiments were performed, at continuous heating/cooling with different rates and in isothermal conditions at different temperatures. The changes taking place on the sample surface during the experiments were monitored. The morphology of the ,,,,, phase transformation was recorded at different heat treatment conditions using the effect of thermal etching. An effect of sample surface oxidation and deoxidation was observed during continuous heating. The appearance and disappearance of ordered titanium oxides Ti3O and Ti2O are discussed based on the phase equilibrium diagram. The kinetics of the surface oxidation was monitored in both isothermal and continuous cooling conditions. [source]

Bulk High-Impact Polystyrene Process, 1

MACROMOLECULAR THEORY AND SIMULATIONS, Issue 7 2007
Partitions of tert -Butyl Peroctoate, Styrene in Blends Containing Polystyrene, a Rubber
Abstract In relation to the bulk high-impact polystyrene process, this work investigates the partition between phases of styrene and an initiator: tert- butyl peroctoate. A Flory-Huggins model was applied for predicting the phase separation point and the partitions of styrene and tert- butyl peroctoate. For blends of styrene, polystyrene, and a styrene-butadiene diblock copolymer, the model provides reasonable predictions of a ternary equilibrium diagram. For blends of styrene, polystyrene, polybutadiene, and tert- butyl peroctoate, the partition of tert- butyl peroctoate was measured at 25,°C. At emulated conversions of 13% or lower, equilibrium was reached after 1 h of mixing time. For the higher molar masses and conversion of 16%, equilibrium was not reached after 24 h of mixing time. To fit the equilibrium measurements, the solubility parameter of tert- butyl peroctoate was adjusted. [source]

Deformation, mass transfer and mineral reactions in an eclogite facies shear zone in a polymetamorphic metapelite (Monte Rosa nappe, western Alps)

JOURNAL OF METAMORPHIC GEOLOGY, Issue 2 2004
L. M. Keller
Abstract This study analyses the mineralogical and chemical transformations associated with an Alpine shear zone in polymetamorphic metapelites from the Monte Rosa nappe in the upper Val Loranco (N-Italy). In the shear zone, the pre-Alpine assemblage plagioclase + biotite + kyanite is replaced by the assemblage garnet + phengite + paragonite at eclogite facies conditions of about 650 °C at 12.5 kbar. Outside the shear zone, only minute progress of the same metamorphic reaction was attained during the Alpine metamorphic overprint and the pre-Alpine mineral assemblage is largely preserved. Textures of incomplete reaction, such as garnet rims at former grain contacts between pre-existing plagioclase and biotite, are preserved in the country rocks of the shear zone. Reaction textures and phase relations indicate that the Alpine metamorphic overprint occurred under largely anhydrous conditions in low strain domains. In contrast, the mineralogical changes and phase equilibrium diagrams indicate water saturation within the Alpine shear zones. Shear zone formation occurred at approximately constant volume but was associated with substantial gains in silica and losses in aluminium and potassium. Changes in mineral modes associated with chemical alteration and progressive deformation indicate that plagioclase, biotite and kyanite were not only consumed in the course of the garnet-and phengite-producing reactions, but were also dissolved ,congruently' during shear zone formation. A large fraction of the silica liberated by plagioclase, biotite and kyanite dissolution was immediately re-precipitated to form quartz, but the dissolved aluminium- and potassium-bearing species appear to have been stable in solution and were removed via the pore fluid. The reaction causes the localization of deformation by producing fine-grained white mica, which forms a mechanically weak aggregate. [source]