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.

Codes with local regeneration

Regenerating codes and codes with locality are schemes recently proposed for a distributed storage network. While regenerating codes minimize the data downloaded for node repair, codes with locality minimize the number of nodes accessed during repair. In this paper, we provide some constructions of codes with locality, in which the local codes are regenerating codes, thereby combining the advantages of both classes of codes. The proposed constructions achieve an upper bound on minimum distance and are hence optimal. The constructions include both the cases when the local regenerating codes correspond to the MSR point as well as the MBR point on the storage repair-bandwidth tradeoff curve.

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.

Microstructural and mechanical behavior study of suction cast Nb-Si binary alloys

The solidification pathways of Nb rich Nb-Si alloys when processed under non-equilibrium conditions require understanding. Continuing with our earlier work on alloying additions in single eutectic composition 1,2], we report a detailed characterization of the microstructures of Nb-Si binary alloys with wide composition range (10-25 at% Si). The alloys are processed using chilled copper mould suction casting. This has allowed us to correlate the evolution of microstructure and phases with different possible solidification pathways. Finally these are correlated with mechanical properties through studies on deformation using mechanical testing under indentation and compressive loads. It is shown that microstructure modification can significantly influence the plasticity of these alloys.

Note: Effect of fluid phase compositions on the formation of substitutionally ordered solid phases from a binary mixture of oppositely charged colloidal suspensions

A binary mixture of oppositely charged colloidal particles can self-assemble into either a substitutionally ordered or substitutionally disordered crystalline phase depending on the nature and strength of interactions among the particles. An earlier study had mapped out favorable inter-particle interactions for the formation of substitutionally ordered crystalline phases from a fluid phase using Monte Carlo molecular simulations along with the Gibbs-Duhem integration technique. In this paper, those studies are extended to determine the effect of fluid phase composition on formation of substitutionally ordered solid phases.

An equivalent undercooling model to account for flow effect on binary alloy dendrite growth rate

A theoretical analysis is carried out to observe the influence of important flow parameters such as Nusselt number and Sherwood number on the tip speed of an equiaxed dendrite growing in a convecting alloy melt. The effect of thermal and solutal transfer at the interface due to convection is equated to an undercooling of the melt, and an expression is derived for this equivalent undercooling in terms of the flow Nusselt number and Sherwood number. Results for the equivalent undercooling are compared with corresponding numerical values obtained by performing simulations based on the enthalpy method. This method represents a relatively simple procedure to analyze the effects of melt convection on the growth rate of dendrites. (C) 2013 Elsevier Ltd. All rights reserved.

An enthalpy-based model of dendritic growth in a convecting binary alloy melt

Purpose-In the present work, a numerical method, based on the well established enthalpy technique, is developed to simulate the growth of binary alloy equiaxed dendrites in presence of melt convection. The paper aims to discuss these issues. Design/methodology/approach-The principle of volume-averaging is used to formulate the governing equations (mass, momentum, energy and species conservation) which are solved using a coupled explicit-implicit method. The velocity and pressure fields are obtained using a fully implicit finite volume approach whereas the energy and species conservation equations are solved explicitly to obtain the enthalpy and solute concentration fields. As a model problem, simulation of the growth of a single crystal in a two-dimensional cavity filled with an undercooled melt is performed. Findings-Comparison of the simulation results with available solutions obtained using level set method and the phase field method shows good agreement. The effects of melt flow on dendrite growth rate and solute distribution along the solid-liquid interface are studied. A faster growth rate of the upstream dendrite arm in case of binary alloys is observed, which can be attributed to the enhanced heat transfer due to convection as well as lower solute pile-up at the solid-liquid interface. Subsequently, the influence of thermal and solutal Peclet number and undercooling on the dendrite tip velocity is investigated. Originality/value-As the present enthalpy based microscopic solidification model with melt convection is based on a framework similar to popularly used enthalpy models at the macroscopic scale, it lays the foundation to develop effective multiscale solidification.

Better QOS with W/T SPR codes for the transmission of multimedia signals in Optical CDMA networks

In this paper optical code-division multiple-access (O-CDMA) packet network is considered, which offers inherent security in the access networks. The application of O-CDMA to multimedia transmission (voice, data, and video) is investigated. The simultaneous transmission of various services is achieved by assigning to each user unique multiple code signatures. Thus, by applying a parallel mapping technique, we achieve multi-rate services. A random access protocol is proposed, here, where all distinct codes are used, for packet transmission. The codes, Optical Orthogonal Code (OOC), or 1D codes and Wavelength/Time Single-Pulse-per-Row (W/T SPR), or 2D codes, are analyzed. These 1D and 2D codes with varied weight are used to differentiate the Quality of Service (QoS). The theoretical bit error probability corresponding to the quality of each service is established using 1D and 2D codes in the receiver noiseless case and compared. The results show that, using 2D codes QoS in multimedia transmission is better than using 1D codes.

A matroidal framework for network-error correcting codes

Matroidal networks were introduced by Dougherty et al. and have been well studied in the recent past. It was shown that a network has a scalar linear network coding solution if and only if it is matroidal associated with a representable matroid. The current work attempts to establish a connection between matroid theory and network-error correcting codes. In a similar vein to the theory connecting matroids and network coding, we abstract the essential aspects of network-error correcting codes to arrive at the definition of a matroidal error correcting network. An acyclic network (with arbitrary sink demands) is then shown to possess a scalar linear error correcting network code if and only if it is a matroidal error correcting network associated with a representable matroid. Therefore, constructing such network-error correcting codes implies the construction of certain representable matroids that satisfy some special conditions, and vice versa.

Stability of fluctuating and transient aggregates of amphiphilic solutes in aqueous binary mixtures: Studies of dimethylsulfoxide, ethanol, and tert-butyl alcohol

In aqueous binary mixtures, amphiphilic solutes such as dimethylsulfoxide (DMSO), ethanol, tertbutyl alcohol (TBA), etc., are known to form aggregates (or large clusters) at small to intermediate solute concentrations. These aggregates are transient in nature. Although the system remains homogeneous on macroscopic length and time scales, the microheterogeneous aggregation may profoundly affect the properties of the mixture in several distinct ways, particularly if the survival times of the aggregates are longer than density relaxation times of the binary liquid. Here we propose a theoretical scheme to quantify the lifetime and thus the stability of these microheterogeneous clusters, and apply the scheme to calculate the same for water-ethanol, water-DMSO, and water-TBA mixtures. We show that the lifetime of these clusters can range from less than a picosecond (ps) for ethanol clusters to few tens of ps for DMSO and TBA clusters. This helps explaining the absence of a strong composition dependent anomaly in water-ethanol mixtures but the presence of the same in water-DMSO and water-TBA mixtures. (C) 2013 AIP Publishing LLC.

Regenerating codes for errors and erasures in distributed storage

Regenerating codes are a class of codes proposed for providing reliability of data and efficient repair of failed nodes in distributed storage systems. In this paper, we address the fundamental problem of handling errors and erasures at the nodes or links, during the data-reconstruction and node-repair operations. We provide explicit regenerating codes that are resilient to errors and erasures, and show that these codes are optimal with respect to storage and bandwidth requirements. As a special case, we also establish the capacity of a class of distributed storage systems in the presence of malicious adversaries. While our code constructions are based on previously constructed Product-Matrix codes, we also provide necessary and sufficient conditions for introducing resilience in any regenerating code.

Codes for solving three dimensional linear elastostatic problems using constant boundary elements while ignoring body forces

Three codes, that can solve three dimensional linear elastostatic problems using constant boundary elements while ignoring body forces, are provided here. The file 'bemconst.m' contains a MATLAB code for solving three dimensional linear elastostatic problems using constant boundary elements while ignoring body forces. The file 'bemconst.f90' is a Fortran translation of the MATLAB code contained in the file 'bemconst.m'. The file 'bemconstp.f90' is a parallelized version of the Fortran code contained in the file 'bemconst.f90'. The file 'inbem96.txt' is the input file for the Fortran codes contained in the files 'bemconst.f90' and 'bemconstp.f90'. Author hereby declares that the present codes are the original works of the author. Further, author hereby declares that any of the present codes, in full or in part, is not a translation or a copy of any of the existing codes written by someone else. Author's institution (Indian Institute of Science) has informed the author in writing that the institution is not interested in claiming any copyright on the present codes. Author is hereby distributing the present codes under the MIT License; full text of the license is included in each of the files that contain the codes.

Improved perfect space-time block codes

Perfect space-time block codes (STBCs) are based on four design criteria-full-rateness, nonvanishing determinant, cubic shaping, and uniform average transmitted energy per antenna per time slot. Cubic shaping and transmission at uniform average energy per antenna per time slot are important from the perspective of energy efficiency of STBCs. The shaping criterion demands that the generator matrix of the lattice from which each layer of the perfect STBC is carved be unitary. In this paper, it is shown that unitariness is not a necessary requirement for energy efficiency in the context of space-time coding with finite input constellations, and an alternative criterion is provided that enables one to obtain full-rate (rate of complex symbols per channel use for an transmit antenna system) STBCs with larger normalized minimum determinants than the perfect STBCs. Further, two such STBCs, one each for 4 and 6 transmit antennas, are presented and they are shown to have larger normalized minimum determinants than the comparable perfect STBCs which hitherto had the best-known normalized minimum determinants.