Ions in water: Role of attractive interactions in size dependent diffusivity maximum

A molecular dynamics study of model ions in water is reported. The van der Waals diameter of both the cations and anions is varied. We have carried out two sets of simulations-with and without dispersion interaction-between the ion and water. Self-diffusivity of the ions exhibits an anomalous maximum as a function of the van der Waals diameter for both these sets. This existence of a maximum in self-diffusivity when there is no dispersion interaction between the ion and the water is attributed to the attractive term from electrostatic interactions. Detailed analysis of this effect shows that the solvent shell is more strongly defined in the presence of dispersion interactions. A smaller ion exhibits biexponential decay while a single exponential decay is seen for the ion with maximum diffusivity in the self-part of the intermediate scattering function. The solvent structure around the ion appears to determine much of the dynamics of the ion. Interesting trends are seen in the activation energies and these can be understood in terms of the levitation effect. (C) 2010 American Institute of Physics. doi:10.1063/1.3481656]

Occurrence of maximum Tc at an optimal carrier concentration in superconducting bismuth and thallium cuprates

The superconducting transition temperatures in Bi2Ca1−xLnxSr2Cu2O8+δ, TlCa1−xLnxSr2Cu2O6+δ, and Tl0.8Ca1−xLnxBa2Cu23O6+δ (Ln=Y or rare earth) vary with composition and show a maximum at a specific value of x or δ. This observation suggests that an optimal carrier concentration is required to attain maximum Tc in such cuprates which seem to be two‐band systems

Criteria for prediction of flow instabilities and microstructural manifestations during warm working of AISI 304L stainless steel

The deformation characteristics of 304L stainless steel in compression in the temperature range 20–700°C and strain rate range 0·001–100 s−1 have been studied with the aim of characterising the .flow instabilities occurring in the microstructure. At higher temperatures and strain rates the stainless steel exhibits flow localisation, whereas at temperatures below 500°C and strain rates lower than 0·1 s−1 the flow instabilities are due to dynamic strain aging. Strain induced martensite formation is responsible for the flow instabilities at room temperature and low strain rates (0·01 s−1). In view of the occurrence of these instabilities, cold working is preferable to warm working to achieve dimensional tolerance and reproducible properties in the product. Among the different criteria tested to explain the occurrence of instabilities, the continuum criterion, developed on the basis of the principles of maximum rate of entropy production and separability of the dissipation function, predicts accurately all the above instability features.

Processing maps for hot working of Cu-Ni-Zn alloys. Part I - Alpha-nickel silver

The constitutive behaviour of agr — nickel silver in the temperature range 700–950 °C and strain rate range 0.001–100 s–1 was characterized with the help of a processing map generated on the basis of the principles of the ldquodynamic materials modelrdquo of Prasadet al Using the flow stress data, processing maps showing the variation of the efficiency of power dissipation (given by 2m/(m+1) wherem is the strain-rate sensitivity) with temperature and strain rate were obtained, agr-nickel silver exhibits a single domain at temperatures greater than 750 °C and at strain rates lower than 1s–1, with a maximum efficiency of 38% occurring at about 950 °C and at a strain rate of 0.1 s–1. In the domain the material undergoes dynamic recrystallization (DRX). On the basis of a model, it is shown that the DRX is controlled by the rate of interface formation (nucleation) which depends on the diffusion-controlled process of thermal recovery by climb. At high strain rates (10 and 100s–1) the material undergoes microstructural instabilities, the manifestations of which are in the form of adiabatic shear bands and strain markings.

Processing maps for hot working of Cu-Ni-Zn alloys Part II Alpha-Beta nickel silver

The constitutive behaviour of agr-beta nickel silver in the temperature range 600�850 °C and strainrate range 0.001�100s�1 was characterized with the help of a processing map generated on the principles of the dynamic materials model. On the basis of the flow-stress data, processing maps showing the variation of the efficiency of power dissipation (given by [2m/(m+1)], wherem is the strain-rate sensitivity) with temperature and strain rate were obtained, agr-beta nickel silver exhibits a single domain at temperatures greater than 700 °C and at strain rates lower than 1 s�1 with a maximum efficiency of power dissipation of about 42% occurring at about 850 °C and at 0.1 s�1. In the domain, the agr phase undergoes dynamic recrystallization and controls the deformation of the alloy, while the beta phase deforms superplastically. Optimum conditions for the processing of agr-beta nickel silver are 850 °C and 0.1 s�1. The material undergoes unstable flow at strain rates of 10 and 100 s�1 and in the temperature range 600�750 °C, manifestated in the form of adiabatic shear bands.

Maximum-entropy calculation of the electron density at 4 A resolution of Pf1 filamentous bacteriophage

A 4 A electron-density map of Pf1 filamentous bacterial virus has been calculated from x-ray fiber diffraction data by using the maximum-entropy method. This method produces a map that is free of features due to noise in the data and enables incomplete isomorphous-derivative phase information to be supplemented by information about the nature of the solution. The map shows gently curved (banana-shaped) rods of density about 70 A long, oriented roughly parallel to the virion axis but slewing by about 1/6th turn while running from a radius of 28 A to one of 13 A. Within these rods, there is a helical periodicity with a pitch of 5 to 6 A. We interpret these rods to be the helical subunits of the virion. The position of strongly diffracted intensity on the x-ray fiber pattern shows that the basic helix of the virion is right handed and that neighboring nearly parallel protein helices cross one another in an unusual negative sense.

Minimum weight design of fiber-reinforced laminated composite structures with maximum stress and Tsai-Wu failure criteria

In this article, a minimum weight design of carbon/epoxy laminates is carried out using genetic algorithms. New failure envelopes have been developed by the combination of two commonly used phenomenological failure criteria, namely Maximum Stress (MS) and Tsai-Wu (TW) are used to obtain the minimum weight of the laminate. These failure envelopes are the most conservative failure envelope (MCFE) and the least conservative failure envelope (LCFE). Uniaxial and biaxial loading conditions are considered for the study and the differences in the optimal weight of the laminate are compared for the MCFE and LCFE. The MCFE can be used for design of critical load-carrying composites, while the LCFE could be used for the design of composite structures where weight reduction is much more important than safety such as unmanned air vehicles.

Size dependence of the bulk modulus of semiconductor nanocrystals from first-principles calculations

The variation in the bulk modulus of semiconductor nanoparticles has been studied within first-principles electronic-structure calculations using the local density approximation (LDA) for the exchange correlation. Quantum Monte Carlo calculations carried out for a silicon nanocrystal Si87H76 provided reasonable agreement with the LDA results. An enhancement was observed in the bulk modulus as the size of the nanoparticle was decreased, with modest enhancements being predicted for the largest nanoparticles studied here, a size just accessible in experiments. To access larger sizes, we fit our calculated bulk moduli to the same empirical law for all materials, the asymptote of which is the bulk value of the modulus. This was found to be within 2-10% of the independently calculated value. The origin of the enhancement has been discussed in terms of Cohen's empirical law M.L. Cohen, Phys. Rev. B 32, 7988 (1985)] as well as other possible scenarios.

A landscape approach to conservation of birds

Landscape ecology as a discipline in science is rather young. However its principles appear promising in outlining conservation strategies including a wide range of organisms, particularly birds. Birds due to their mobility use a variety of environmental resources, especially habitats. However, currently these habitats are only available in patches over most of the tropical world. Further whatever is left is under constant human pressure. This paper, therefore, addresses this problem and suggests means of dealing with it using the landscape approach as outlined by landscape ecology. The landscape approach starts with the realization that patches of habitats are open and interact with one another. Corridors of trees along roads, hedgerows and canals in a landscape can aid in the movement of species. Hence the landscape approach considers patches of habitats as interacting elements in the large matrix of the landscape. The landscape approach also integrates concepts. It puts together often debated issues such as whether to preserve maximum species diversity, to maximize representativeness, or to preserve only the valuable species. Based on a case study of the Uttara Kannada district in Karnataka, these oft-opposing views and complications can be dealt with practically and synthesized into a conservation strategy far the diverse avifauna of the Western Chats.

Edge Stabilities of Hexagonal Boron Nitride Nanoribbons: A First-Principles Study

We investigate the comparative stability of sp(2) bonded planar hexagonal boron nitride (h-BN) nanoribbon (BNNR) edges, using first principles calculations. We find that the pristine armchair edges have the highest degree of stability. Pristine zigzag edges are metastable, favoring planar reconstructions in the form of 5-7 rings] that minimizes the energy. Our investigation further reveals that the pristine zigzag edges can be stabilized against 5-7 reconstructions by passivating the dangling bonds at the edges by other elements, such as hydrogen (H) atoms. Electronic and magnetic properties of nanoribbons depend on the edge shapes and are strongly affected by edge reconstructions.

Optimization of cold and warm workability in 304 stainless steel using instability maps

The deformation characteristics of stainless steel type AISI 3O4 under compression in the temperature range 20 degrees C to 600 degrees C and strain-rate range 0.001 to 100 s(-1) have been studied with a view to characterizing the flow instabilities occurring in the microstructure. At strain rates less than 5 s(-1), 304 stainless steel exhibits flow localization, whereas dynamic strain aging occurs at intermediate temperatures and below 0.5 s(-1). At room temperatures and strain rates less than 10 s(-1), martensite formation is observed. To avoid the preceding microstructural instabilities, cold and warm working should be carried out at strain rates greater than 5 s(-1). The continuum criterion, developed on the basis of the principles of maximum rate of entropy production and separability of the dissipation function, predicts accurately all the preceding instability features.

Optimization of cold and warm workability in stainless steel type AISI 316L using instability maps

The deformation characteristics of stainless steel type AISI 316L under compression in the temperature range 20 to 600 degrees C and strain rate range 0.001 to 100 s(-1) have been studied with a view to characterizing the flow instabilities occurring in the microstructure. At temperatures lower than 100 degrees C and strain rates higher than 0.1 s(-1), 316L stainless steel exhibits flow localization whereas dynamic strain aging (DSA) occurs at intermediate temperatures and below 1 s(-1). To avoid the above flow instabilities, cold working should be carried out at strain rates less than 0.1 s(-1). Warm working of stainless steel type AISI 316L may be done in the temperature and strain rate regime of: 300 to 400 degrees C and 0.001 s(-1) 300 to 450 degrees C and 0.01 s(-1): 450 to 600 degrees C and 0.1 s(-1); 500 degrees C and 1 s(-1) since these regions are free from flow instabilities like DSA and flow localization. The continuum criterion, developed on the basis of the principles of maximum rate of entropy production and separability of the dissipation function, predicts accurately all the above instability features.

Learning the global maximum with parameterized learning automata

A feedforward network composed of units of teams of parameterized learning automata is considered as a model of a reinforcement teaming system. The internal state vector of each learning automaton is updated using an algorithm consisting of a gradient following term and a random perturbation term. It is shown that the algorithm weakly converges to a solution of the Langevin equation implying that the algorithm globally maximizes an appropriate function. The algorithm is decentralized, and the units do not have any information exchange during updating. Simulation results on common payoff games and pattern recognition problems show that reasonable rates of convergence can be obtained.

Instability map for cold and warm working of as-cast 304 stainless steel

The deformation characteristics of as-cast 304 stainless steel under compression in the temperature range 20-600 degrees C and strain rate range 0.001-100 s(-1) have been studied with a view to characterizing the flow instabilities occurring in the microstructure. Ar strain rates of less than 0.05 s(-1), as-cast 304 stainless steel exhibits flow localization in the temperature range 20-600 degrees C, whereas dynamic strain ageing occurs at intermediate temperatures and below 5 s(-1). At room temperatures and strain rates of less than 0.05 s(-1), martensite formation is observed. To avoid the above microstructural instabilities warm working should be carried out at strain rates greater than 10 s(-1) in the temperature range 400-600 degrees C and cold working could be done in the range of about 0.05-0.8 s(-1). The continuum criterion developed on the basis of the principles of maximum rate of entropy production and separability of the dissipation function, predicts accurately all of the above instability features. (C) 1997 Elsevier Science S.A.