Studies on transport phenomena during solidification of an aluminum alloy in the presence of linear electromagnetic stirring

Numerical and experimental studies on transport phenomena during solidification of an aluminum alloy in the presence of linear electromagnetic stirring are performed. The alloy is electromagnetically stirred to produce semisolid slurry in a cylindrical graphite mould placed in the annulus of a linear electromagnetic stirrer. The mould is cooled at the bottom, such that solidification progresses from the bottom to the top of the cylindrical mould. A numerical model is developed for simulating the transport phenomena associated with the solidification process using a set of single-phase governing equations of mass. momentum, energy. and species conservation. The viscosity variation of the slurry, used in the model, is determined experimentally using a rotary viscometer. The set of governing equations is solved using a pressure-based finite volume technique, along with an enthalpy based phase change algorithm. The numerical study involves prediction of temperature, velocity, species and solid fraction distribution in the mould. Corresponding solidification experiments are performed, with time-temperature history recorded at key locations. The microstructures at various temperature measurement locations in the solidified billet are analyzed. The numerical predictions of temperature variations are in good agreement with experiments, and the predicted flow field evolution correlates well with the microstructures observed at various locations.

Modeling of Convection and Macrosegregation through Appropriate Consideration of Multiphase/Multiscale Phenomena during Alloy Solidification

Solidification processes are complex in nature, involving multiple phases and several length scales. The properties of solidified products are dictated by the microstructure, the mactostructure, and various defects present in the casting. These, in turn, are governed by the multiphase transport phenomena Occurring at different length scales. In order to control and improve the quality of cast products, it is important to have a thorough understanding of various physical and physicochemical phenomena Occurring at various length scales. preferably through predictive models and controlled experiments. In this context, the modeling of transport phenomena during alloy solidification has evolved over the last few decades due to the complex multiscale nature of the problem. Despite this, a model accounting for all the important length scales directly is computationally prohibitive. Thus, in the past, single-phase continuum models have often been employed with respect to a single length scale to model solidification processing. However, continuous development in understanding the physics of solidification at various length scales oil one hand and the phenomenal growth of computational power oil the other have allowed researchers to use increasingly complex multiphase/multiscale models in recent. times. These models have allowed greater understanding of the coupled micro/macro nature of the process and have made it possible to predict solute segregation and microstructure evolution at different length scales. In this paper, a brief overview of the current status of modeling of convection and macrosegregation in alloy solidification processing is presented.

X-ray studies on crystalline complexes involving amino acids and peptides. XXIII. Variability in ionization state, conformation and molecular aggregation in the complexes of succinic acid with DL- and L-lysine

Crystalline complexes of succinic acid with DL- and L-lysine have been prepared and analysed by X-ray diffraction. DL-Lysine complex: C6HIsN202 + 1 2- 1 ~C4H404 .~C4H604, Mr -- 264"2, PI, a = 5"506 (4), =8.070(2), c=14.089(2) A,, a=92.02(1), /3= 100"69 (3), y = 95"85 (3) ~>, Z = 2, Dx = 1"44 g cm -3, R = 0.059 for 2546 observed reflections. Form I of the e-lysine complex: C6HIsN20-, ~ .C4H504, Mr = 264.2, P1, a = 5" 125 (2), b = 8"087 (1), c = 8"689 (1) A,, a = 112.06 (1), /3 = 99.08 (2), y = 93"77(2) °, Z--l, D,,,=1"34(3), Dx=l"34gcm 3 R = 0.033 for 1475 observed reflections. Form II of + I 2- the e-lysine complex: C6H15N202 .,iC4H404 .- 1 I ") 4C4H604.4(C4HsO4""H'"CaH404)" , Mr = 264"2, P1, a = 10.143 (4), b = 10.256 (2), c = 12"916 (3) A,, a = 105.00 (2),/3 = 99-09 (3), y = 92"78 (3)::, Z = 4, Dm= 1"37(4), D,.= 1.38gcm 3, R=0.067 for 2809 observed reflections. The succinic acid molecules in the structures exhibit a variety of ionization states. Two of the lysine conformations found in the complexes have been observed for the first time in crystals containing lysine. Form II of the L-lysine complex is highly pseudosymmetric. In all the complexes, unlike molecules aggregate into separate alternating layers. The basic element of aggregation in the lysine layer in the complexes is an S2-type head-to-tail sequence. This element combines in different ways in the three structures. The basic element of aggre gation in the succinic acid layer in the complexes is a hydrogen-bonded ribbon. The ribbons are interconnected indirectly through amino groups in the lysine layer.

Stereospecific photodimerization of coumarins in crystalline inclusion complexes. Molecular and crystal structure of 1:2 complex of (S,S)-(-)-1,6-bis(o-chlorophenyl)-1,6-diphenyl-hexa-2,4-diyne-1,6-diol and coumarin

Proximity of molecules is a crucial factor in many solid- state photochemical processes.'S2 The biomolecular photodimerization reactions in the solid state depend on the relative geometry of reactant molecules in the crystal lattice with center-to-center distance of nearest neighbor double bonds of the order of ca. 4 A. This fact emanates from the incisive studies of Schmidt and Cohen.2 One of the two approaches to achieve this distance requirement is the so-called "Crystal-Engineering" of structures, which essentially involves the introduction of certain functional groups that display in-plane interstacking interactions (Cl...Cl, C-He-0, etc.) in the crystal The chloro group is by far the most successful in promoting the /3- packing m ~ d e ,th~o,u~gh recent studies have shown its limitations? Another approach involves the use of constrained media in which the reactants could hopefully be aligned.

Effect of mechanical cycling on the stress-strain response of a martensitic Nitinol shape memory alloy

An experimental investigation into the ambient temperature, load-controlled tension�tension fatigue behavior of a martensitic Nitinol shape memory alloy (SMA) was conducted. Fatigue life for several stress levels spanning the critical stress for detwinning was determined and compared with that obtained on an alloy similar in composition but in the austenitic state at room temperature. Results show that the fatigue life of the pseudo-plastic alloy is superior to superelastic shape memory alloy. The stress�strain hysteretic response, monitored throughout the fatigue loading, reveals progressive strain accumulation with the cyclic loading. In addition, the area of hysteresis and recoverable and frictional energies were found to decrease with increasing number of fatigue cycles. Post-mortem characterization of the fatigued specimens through calorimetry and fractography was conducted in order to get further insight into the fatigue micromechanisms. These results are discussed in terms of reversible and irreversible microstructural changes that take place during cyclic loading. Aspects associated with self-heating of martensitic alloy undergoing high frequency stress cycling are discussed.

Fabrication and Phase Transformation in Crystalline Nanoparticles of PbZrO3 Derived By Sol-Gel

In this research fabrication of crystalline PbZrO3 (PZ) nanoparticles and their phase transformation behavior is investigated. A novel sol-gel method was used for the synthesis of air-stable and precipitate-free diol-based sol of PZ, which was dried at 150 degrees C and then calcined at 300-700 degrees C for 1 h. The morphology, crystallinity and phase formation of as synthesized nanoparticles were studied by the selected-area electron diffraction (SAED), X-ray diffraction (XRD), thermal gravimetric analysis/differential scanning calorimetry (TGA-DSC), and high resolution transmission electron microscope (HRTEM). The XRD, SAED, and TGA-DSC analyses confirmed the tetragonal lead rich zirconia phase (t-Z phase) and monoclinic zirconia phase (m-Z phase) as the intermediate phases during the calcinations process followed by crystallization of single orthorhombic PZ phase at about 700 degrees C. The average PZ particle size was observed about 20 nm as confirmed by TEM study. Energy-dispersive X-ray spectroscopy (EDX) analysis demonstrated that stoichiometric PbZrO3 was formed.

Third post-Newtonian angular momentum flux and the secular evolution of orbital elements for inspiralling compact binaries in quasi-elliptical orbits

The angular-momentum flux from an inspiralling binary system of compact objects moving in quasi-elliptical orbits is computed at the third post-Newtonian (3PN) order using the multipolar post-Minkowskian wave generation formalism. The 3PN angular-momentum flux involves the instantaneous, tail, and tail-of-tails contributions as for the 3PN energy flux, and in addition a contribution due to nonlinear memory. We average the angular-momentum flux over the binary's orbit using the 3PN quasi-Keplerian representation of elliptical orbits. The averaged angular-momentum flux provides the final input needed for gravitational-wave phasing of binaries moving in quasi-elliptical orbits. We obtain the evolution of orbital elements under 3PN gravitational radiation reaction in the quasi-elliptic case. For small eccentricities, we give simpler limiting expressions relevant for phasing up to order e(2). This work is important for the construction of templates for quasi-eccentric binaries, and for the comparison of post-Newtonian results with the numerical relativity simulations of the plunge and merger of eccentric binaries.

Selective detection of single-enantiomer spectrum of chiral molecules aligned in the polypeptide liquid crystalline solvent: Transition selective one-dimensional H-1-H-1 COSY

One-dimensional (1D) proton NMR spectra of enantiomers are generally undecipherable in chiral orienting poly-gamma-benzyl-L-glutamate (PBLG)/CDCl3 solvent. This arises due to large number of couplings, in addition to superposition of spectra from both the enantiomers, severely hindering the H-1 detection. On the other hand in the present study the benefit is derived front the presence of several couplings among the entire network of interacting protons. Transition selective 1D H-1-H-1 correlation experiment (1D-COSY) which utilizes the Coupling assisted transfer of magnetization not only for unraveling the overlap but also for the selective detection of enantiopure spectrum is reported. The experiment is simple, easy to implement and provides accurate eanantiomeric excess in addition to the determination of the proton-proton couplings of an enantiomer within a short experimental time (few minutes). (C) 2009 Elsevier Inc. All rights reserved.

Synthesis of liquid crystalline benzothiazole base derivatives: A study of their optical and electrical properties

Two new donor-acceptor type liquid crystalline semiconductors based on benzothiazole have been synthesized. Their structural, photophysical and electronic properties were investigated using X-ray diffraction, atomic force microscopy, cyclic voltammetry, UV-Vis, photoluminescence, and Raman spectroscopy. The liquid crystalline behaviour of the molecules was thoroughly examined by differential scanning calorimetry (DSC) and optical polarizing microscope. The DSC and thermogravimetric analysis (TGA) show that these materials posses excellent thermal stability and have decomposition temperatures in excess of 300 degrees C. Beyond 160 degrees C both molecules show a smectic A liquid crystalline phase that exists till about 240 degrees C. Field-effect transistors were fabricated by vacuum evaporating the semiconductor layer using standard bottom gate/top contact geometry. The devices exhibit p-channel behaviour with hole mobilities of 10(-2) cm(2)/Vs. (C) 2009 Elsevier B.V. All rights reserved.

Effect of recrystallization and grain growth on the mechanical properties of an extruded AZ21 Mg alloy

An experimental investigation into the effect of microstructural changes, which occur during post-extrusion annealing of a Mg based AZ21 alloy, on tensile and fatigue properties is conducted. Mechanical properties in the as-cast, as-extruded, and microstructural states that correspond to recovery, recrystallization and grain growth stages of annealing are compared. Results show that these microstructural changes do not alter the yield strength of the alloy markedly whereas significant differences were noted in the ultimate tensile strength as well as ductility. The initiation of abnormal grain growth (or secondary recrystallization) renders the tensile stress-strain response elastic perfectly plastic and results in a large drop in ductility, as high as similar to 60% during intermediate stages of abnormal grain growth, vis-A-vis the ductility of the as-extruded alloy. While the fatigue performance of all the wrought alloys is far superior to as expected, abnormal grain growth leads to a marked decrease in the endurance that of the as-cast alloy, limit. Possible microscopic origins of these are discussed. (C) 2009 Elsevier B.V. All rights reserved.

A Methanol-Tolerant Carbon-Supported Pt-Au Alloy Cathode Catalyst for Direct Methanol Fuel Cells and Its Evaluation by DFT

A Pt-Au alloy catalyst of varying compositions is prepared by codeposition of Pt and Au nanoparticles onto a carbon support to evaluate its electrocatalytic activity toward an oxygen reduction reaction (ORR) with methanol tolerance in direct methanol fuel cells. The optimum atomic weight ratio of Pt to Au in the carbon-supported Pt-Au alloy (Pt-Au/C) as established by cell polarization, linear-sweep voltammetry (LSV), and cyclic voltammetry (CV) studies is determined to be 2:1. A direct methanol fuel cell (DMFC) comprising a carbon-supported Pt-Au (2:1) alloy as the cathode catalyst delivers a peak power density of 120 mW/cm2 at 70 °C in contrast to the peak power density value of 80 mW/cm2 delivered by the DMFC with carbon-supported Pt catalyst operating under identical conditions. Density functional theory (DFT) calculations on a small model cluster reflect electron transfer from Pt to Au within the alloy to be responsible for the synergistic promotion of the oxygen-reduction reaction on a Pt-Au electrode.

Quasi-periodic, global oscillations in sea level pressure on intraseasonal timescales

The sea level pressure (SLP) variability in 30-60 day intraseasonal timescales is investigated using 25 years of reanalysis data addressing two issues. The first concerns the non-zero zonal mean component of SLP near the equator and its meridional connections, and the second concerns the fast eastward propagation (EP) speed of SLP compared to that of zonal wind. It is shown that the entire globe resonates with high amplitude wave activity during some periods which may last for few to several months, followed by lull periods of varying duration. SLP variations in the tropical belt are highly coherent from 25A degrees S to 25A degrees N, uncorrelated with variations in mid latitudes and again significantly correlated but with opposite phase around 60A degrees S and 65A degrees N. Near the equator (8A degrees S-8A degrees N), the zonal mean contributes significantly to the total variance in SLP, and after its removal, SLP shows a dominant zonal wavenumber one structure having a periodicity of 40 days and EP speeds comparable to that of zonal winds in the Indian Ocean. SLP from many of the atmospheric and coupled general circulation models show similar behaviour in the meridional direction although their propagation characteristics in the tropical belt differ widely.

Characterization of hot deformation behavior of Zr-1Nb-1Sn alloy

The hot deformation behavior of beta-quenched Zr-1 Nb-1Sn was studied in the temperature range 650-1050 degrees C and strain rate range 0.001-100 s(-1) using processing maps. These maps revealed three different domains: a domain of dynamic recovery at temperatures <700 degrees C and at strain rates <3 x 10(-3) s(-1), a domain of dynamic recrystallization in the temperature range 750-950 C-degrees and at strain rates <10(-2) S-1 with a peak at 910 degrees C and 10(-3) S-1 (in alpha + beta phase field), and a domain of large-grain superplasticity in the beta phase field at strain rates <10(-2) s(-1). In order to identify the rate controlling mechanisms involved in these domains, kinetic analysis was carried out to determine the various activation parameters. In addition, the processing maps showed a regime of flow instability spanning both alpha + beta and beta phase fields. The hot deformation behavior of Zr 1Nb-1Sn was compared with that of Zr, Zr-2.5Nb and Zircaloy-2 to bring out the effects of alloy additions. (C) 2006 Elsevier BN. All rights reserved.

Processing Response of Boron Modified Ti-6Al-4V Alloy In (alpha plus beta) Working Regime

Titanium alloys like Ti-6A-4V are the backbone materials for aerospace, energy and chemical industries. Hypoeutectic boron addition to Ti-6Al-4V alloy produces a reduction in as-cast grain size by roughly an order of magnitude resulting in the possibility of avoiding ingot breakdown step and thereby reducing the processing cost. In the present study, ISM processed as-cast boron added Ti-6Al-4V alloy is deformed in (alpha+beta)-phase field, where alpha-lath bending seemed to be the dominating deformation mechanism.