Shear bands mediate cavitation in brittle metallic glasses

Recent experimental studies have revealed nanoscale cavities and periodic corrugations on the fracture surfaces of brittle metallic glasses. How such cavitation in these materials leads to brittle failure remains unclear. Here we show, using atomistic and continuum finite element simulations, that a shear band can mediate cavity nucleation and coalescence owing to plastic flow confinement caused by material softening. This leads to brittle fracture as cavities nucleate and coalesce within a shear band, causing the crack to extend along it. (c) 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Accelerating Reduction for Enabling Fast Multiplication over Large Binary Fields

In this paper we present a hardware-software hybrid technique for modular multiplication over large binary fields. The technique involves application of Karatsuba-Ofman algorithm for polynomial multiplication and a novel technique for reduction. The proposed reduction technique is based on the popular repeated multiplication technique and Barrett reduction. We propose a new design of a parallel polynomial multiplier that serves as a hardware accelerator for large field multiplications. We show that the proposed reduction technique, accelerated using the modified polynomial multiplier, achieves significantly higher performance compared to a purely software technique and other hybrid techniques. We also show that the hybrid accelerated approach to modular field multiplication is significantly faster than the Montgomery algorithm based integrated multiplication approach.

Cavitation in materials with distributed weak zones: Implications on the origin of brittle fracture in metallic glasses

Several experimental studies have shown that fracture surfaces in brittle metallic glasses (MGs) generally exhibit nanoscale corrugations which may be attributed to the nucleation and coalescence of nanovoids during crack propagation. Recent atomistic simulations suggest that this phenomenon is due to large spatial fluctuations in material properties in a brittle MG, which leads to void nucleation in regions of low atomic density and then catastrophic fracture through void coalescence. To explain this behavior, we propose a model of a heterogeneous solid containing a distribution of weak zones to represent a brittle MG. Plane strain continuum finite element analysis of cavitation in such an elastic-plastic solid is performed with the weak zones idealized as periodically distributed regions having lower yield strength than the background material. It is found that the presence of weak zones can significantly reduce the critical hydrostatic stress for the onset of cavitation which is controlled uniquely by the local yield properties of these zones. Also, the presence of weak zones diminishes the sensitivity of the cavitation stress to the volume fraction of a preexisting void. These results provide plausible explanations for the observations reported in recent atomistic simulations of brittle MGs. An analytical solution for a composite, incompressible elastic-plastic solid with a weak inner core is used to investigate the effect of volume fraction and yield strength of the core on the nature of cavitation bifurcation. It is shown that snap-cavitation may occur, giving rise to sudden formation of voids with finite size, which does not happen in a homogeneous plastic solid. (c) 2012 Elsevier Ltd. All rights reserved.

Physical ageing in Se-Te-Sb glasses

Bulk Se60-xTe40Sbx glasses in the composition range 0 <= x <= 14 were prepared by the melt quenching method. Differential Scanning Calorimetric (DSC) and thermal crystallization studies were performed to understand the thermodynamic property like glass transition and structural transformations. These glasses exhibit sharp endothermic peak at the glass transition (T-g). Disappearance of the endothermic peak at T-g in the rejuvenated samples clearly indicates the ageing effect in these glasses. Addition of Sb to Se-Te increases the connectivity of the structural network which is evidenced from the increase in T-g. A distinct change in the slope of the T-g at x=6, indicates a major change in the way the network is connected. The glass forming ability and the thermal stability also exhibit a maximum at x=6. T-g increases with the ageing time and the corresponding fictive temperature (T-f) calculated from the specific heat curves shows a decreasing trend. The molecular movements along the polymeric Se chains might cause the structural relaxation and the physical ageing. The physical ageing effect has been understood on the basis of the Bond Free Solid Angle (BFSA) model proposed by Kastner. Thermally crystallized samples show the formation of rhombohedral Sb2Te3, rhombohedral Sb2Se3 and hexagonal Te phases.

The effect of minor addition of Ni on the microstructural evolution and mechanical properties of suction cast Al-0.14 at. pct Sc binary alloy

Aluminum scandium binary alloys represent a promising precipitation-hardening alloy system. However, the hardness of the binary alloys decreases with the rapid coarsening of Al3Sc precipitate during high-temperature aging. In the current study, we report a new approach to compensate for the loss of mechanical properties by combining rapid solidification with very small ternary addition of transition metal Ni. This addition yields dispersion, and at a critical concentration improves the mechanical properties. We explore additions of a maximum of 0.06 at. pct of Nickel to a binary Al-0.14 at. pct Sc alloy, which yield nickel-rich dispersions. We report two kinds of biphasic dispersions containing AlNi2Sc/Al9Ni2 and alpha-Al/Al9Ni2 phase combinations. The maximum improvement in mechanical properties occurs with the addition of 0.045 at. pct Ni with a yield strength of 239 +/- A 7 MPa for an aging treatment at 583 K (310 A degrees C) for 15 hours. DOI: 10.1007/s11661-013-1624-z (C) The Minerals, Metals & Materials Society and ASM International 2013

Study of the effect of alkali mixture on V-O bond length in Oxyfluoro Vanadate glasses using Raman spectroscopy

Raman spectroscopic study on Oxyfluoro Vanadate glasses containing various proportions of lithium fluoride and rubidium fluoride was carried out to see an effect of mixture of alkali on vanadium-oxygen (V-O) bond length. Glasses with a general formula 40V(2)O(5) - 30BaF(2) - (30 - x) LiF - xRbF (x = 0-30) were prepared. Room temperature Raman spectra of these glass samples were recorded in back scattering geometry. The data presented is in ``reduced Raman intensity'' form with maximum peak scaled to 100. We have used v = Aexp(BR), where A and B are fitting parameters, to correlate the bond length R with Raman scattering frequency v. We observed that variation in bond length and its distribution about a most probable value can be correlated to the alkali environment present in these glasses. We also observed that all rubidium environment around the network forming unit is more homogenous than all lithium environment.

Free energy barriers for homogeneous crystal nucleation in a eutectic system of binary hard spheres

In this study, the free energy barriers for homogeneous crystal nucleation in a system that exhibits a eutectic point are computed using Monte Carlo simulations. The system studied is a binary hard sphere mixture with a diameter ratio of 0.85 between the smaller and larger hard spheres. The simulations of crystal nucleation are performed for the entire range of fluid compositions. The free energy barrier is found to be the highest near the eutectic point and is nearly five times that for the pure fluid, which slows down the nucleation rate by a factor of 10(-31). These free energy barriers are some of highest ever computed using simulations. For most of the conditions studied, the composition of the critical nucleus corresponds to either one of the two thermodynamically stable solid phases. However, near the eutectic point, the nucleation barrier is lowest for the formation of the metastable random hexagonal closed packed (rhcp) solid phase with composition lying in the two-phase region of the phase diagram. The fluid to solid phase transition is hypothesized to proceed via formation of a metastable rhcp phase followed by a phase separation into respective stable fcc solid phases.

Determination of favorable inter-particle interactions for formation of substitutionally ordered solid phases from a binary mixture of oppositely charged colloidal suspensions

The solid phase formed by a binary mixture of oppositely charged colloidal particles can be either substitutionally ordered or substitutionally disordered depending on the nature and strength of interactions among the particles. In this work, we use Monte Carlo molecular simulations along with the Gibbs-Duhem integration technique to map out the favorable inter-particle interactions for the formation of substitutionally ordered crystalline phases from a fluid phase. The inter-particle interactions are modeled using the hard core Yukawa potential but the method can be easily extended to other systems of interest. The study obtains a map of interactions depicting regions indicating the type of the crystalline aggregate that forms upon phase transition.

Nanoindentation studies on waveguides inscribed in chalcogenide glasses using ultrafast laser

Optical straight waveguides are inscribed in GeGaS and GeGaSSb glasses using a high repetition-rate sub-picosecond laser. The mechanical properties of the glasses in the inscribed regions, which have undergone photo induced changes, have been evaluated by using the nanoindentation technique. Results show that the hardness and elastic modulus of the photo-modified glasses are significantly lower as compared to the other locations in the waveguide, which tend to be similar to those of the unexposed areas. The observed mechanical effects are found to correlate well with the optical properties of the waveguides. Further, based on the results, the minimum threshold values of hardness and elastic modulus for the particular propagation mode of the waveguide (single or multi), has been established.

Ion transport studies in lithium phospho-molybdate glasses containing Cl- ion

Ion conducting glasses in xLiCl-20Li(2)O-(80-x) 0.80P(2)O(5)-0.20MoO(3)] glass system have been prepared over a wide range of composition (X = 5, 10, 15, 20 and 25 mol%). The electrical conductivity and dielectric relaxation of these glasses were analyzed using impedance spectroscopy in the frequency range of 10 Hz-10 MHz and in the temperature range of 313-353 K. D.c. activation energies extracted from Arrhenius plots using regression analysis, decreases with increasing LiCl mol%. A.c. conductivity data has been fitted to both single and double power law equation with both fixed and variable parameters. The increased conductivity in the present glass system has been correlated with the volume increasing effect and the coordination changes that occur due to structural modification resulting in the creation of non-bridging oxygens (NBO's) of the type O-Mo-O- bonds in the glass network. Dielectric relaxation mechanism in these glasses is analyzed using Kohlrausch-Williams-Watts (KWW) stretched exponential function and stretched exponent (beta) is found to be insensitive to temperature.

Solvation dynamics of tryptophan in water-dimethyl sulfoxide binary mixture: In search of molecular origin of composition dependent multiple anomalies

Experimental and simulation studies have uncovered at least two anomalous concentration regimes in water-dimethyl sulfoxide (DMSO) binary mixture whose precise origin has remained a subject of debate. In order to facilitate time domain experimental investigation of the dynamics of such binary mixtures, we explore strength or extent of influence of these anomalies in dipolar solvation dynamics by carrying out long molecular dynamics simulations over a wide range of DMSO concentration. The solvation time correlation function so calculated indeed displays strong composition dependent anomalies, reflected in pronounced non-exponential kinetics and non-monotonous composition dependence of the average solvation time constant. In particular, we find remarkable slow-down in the solvation dynamics around 10%-20% and 35%-50% mole percentage. We investigate microscopic origin of these two anomalies. The population distribution analyses of different structural morphology elucidate that these two slowing down are reflections of intriguing structural transformations in water-DMSO mixture. The structural transformations themselves can be explained in terms of a change in the relative coordination number of DMSO and water molecules, from 1DMSO:2H(2)O to 1H(2)O:1DMSO and 1H(2)O:2DMSO complex formation. Thus, while the emergence of first slow down (at 15% DMSO mole percentage) is due to the percolation among DMSO molecules supported by the water molecules (whose percolating network remains largely unaffected), the 2nd anomaly (centered on 40%-50%) is due to the formation of the network structure where the unit of 1DMSO:1H(2)O and 2DMSO:1H(2)O dominates to give rise to rich dynamical features. Through an analysis of partial solvation dynamics an interesting negative cross-correlation between water and DMSO is observed that makes an important contribution to relaxation at intermediate to longer times.

Study on important diffusion parameters of binary Ni3Sn4 phase

Important diffusion parameters, such as-parabolic growth constant, integrated diffusivity, ratio of intrinsic diffusivities of species Ni and Sn, Kirkendall marker velocity and the activation energy for diffusion kinetics of binary Ni3Sn4 phase have been investigated with the help of incremental diffusion couple technique (Sn/Ni0.57Sn0.43) in the temperature range 200-150 degrees C. Low activation energy extracted from Arrhenius plot indicates grain boundary controlled diffusion process. The species Sn is three times faster than Ni at 200 degrees C. Further, the activation energy of Sn tracer diffusivity is greater than that of Ni.

Comparative study on optical properties of Se-Zn-In and Se-Zn-Te-In chalcogenide glasses

In contemporary world optoelectronics materials are used in daily life owing to its verity of applications. Utility of these materials makes them attractive for investigations. Specifically study regarding optical properties of recent developed materials is worth for technical uses. Therefore, this work demonstrates a comparative study of extinction coefficient (K), real dielectric (epsilon') and imaginary dielectric (epsilon `') constants, refractive index (n) and optical energy band gap (E-g) with structural unit < r > for Se98-xZn2Inx (0 <= X-In <= 10) and Se93-yZn2Te5Iny (0 <= Y-In <= 10) chalcogenide glasses. Fixed amount of Te with increasing In concentration as cost of Se is largely influence the optical parameters of the materials. Values of optical parameters are obtained higher and lower respectively at thresholds structural units values. This comparative study demonstrates that enhanced values of optical parameters have been obtained for Te containing Se-Zn-In glasses.

Structure-property correlation in BaO-TiO2-B2O3 glasses: glass stability, optical, hydrophobic, and dielectric properties

Glasses in the x(BaO-TiO2)-B2O3 (x = 0.25, 0.5, 0.75, and 1 mol.) system were fabricated via the conventional melt-quenching technique. Thermal stability and glass-forming ability as determined by differential thermal analysis (DTA) were found to increase with increasing BaO-TiO2 (BT) content. However, there was no noticeable change in the glass transition temperature (T-g). This was attributed to the active participation of TiO2 in the network formation especially at higher BT contents via the conversion of the TiO6 structural units into TiO4 units, which increased the connectivity and resulted in an increase in crystallization temperature. Dielectric and optical properties at room temperature were studied for all the glasses under investigation. Interestingly, these glasses were found to be hydrophobic. The results obtained were correlated with different structural units and their connectivity in the glasses.