Alteration in Cross Diffusivities Governs the Nature and Dynamics of Spatiotemporal Pattern Formation

Realizing spatiotemporal patterns out of a chemical reaction diffusion system remains an experimental challenge owing to the difficulty in overcoming the stringent condition of diffusion driven instability. Herein, by considering the spatially extended Gray-Scott model system, we have investigated how the cross diffusivities of the reactants involved influence the nature and dynamics of spatiotemporal patterns. Our study unravels that in absence of diffusion driven instability, spatially inhomogeneous patterns can be obtained for the Gray-Scott model system, and unstable time dependent patterns can be stabilized just by adjusting cross diffusivities of the reactants. Interestingly, the effect of cross diffusion in presence of the diffusion driven instability can differentially alter the speed of pattern formation, and potentially modify the nature of the spatiotemporal patterns obtained under different parametric conditions. Experimental verification of our findings may allow us to observe spatiotemporal patterns beyond the regime of classical Turing instability.     

Quality Related Safety Evaluation of a South African Traditional Formulation (PHELA®) as Novel Anti-Biofilm Candidate

A South African traditional formulation, PHELA^®, is consumed by the traditional people for severe chest problems with coughing, diarrhea, oral ulcers etc. The present study focused on establishing the anti-infective properties of a safe and standardized poly-herbal formulation through a series of criteria and specifications.     

Nucleation of microcracks during dislocation interactions in a Ti<Subscript>3</Subscript>Al single crystal

Reactions between superdislocations involved in deformation in the basal, prismatic, and type-I and II pyramidal planes in single-crystal Ti₃Al are considered. The types of dislocation interactions are established that result in the formation dislocation barriers (microcrack nuclei). The force and energy conditions for microcracks to arise are found. The interaction between a and 2c + a superdislocations results in microcracks with the plane of opening lying in basal and pyramidal planes; the interaction of 2c + a superdislocations in different pyramidal planes results in the formation of microcracks in prismatic and pyramidal planes; and the interaction of a superdislocations in basal and/or pyramidal planes does not cause the formation of dislocation barriers. The types of microcracks are classified in terms of the orientation of deformation axes of single crystals, and the regions of the stereographic triangle are determined characterized by a preferential type of crack opening.     

Kinetics of Early Decomposition Stages in Diluted bcc Fe–Сu–Ni–Al Alloy: MC+MD Simulation

Physics of the Solid State - A combined approach including the Monte Carlo and molecular-dynamics simulation, decomposition kinetics and segregation formation in the multicomponent low-alloy...     

Spectroscopic Properties of Lumiflavin: A Quantum Chemical Study

In this work, the electronic structure and spectroscopic properties of lumiflavin are calculated using various quantum chemical methods. The excitation energies for ten singlet and triplet states as well as the analysis of the electron density difference are assessed using various wave function‐based methods and density functionals. The relative order of singlet and triplet excited states is established on the basis of the coupled cluster method CC2. We find that at least seven singlet excited states are required to assign all peaks in the UV/Vis spectrum. In addition, we have studied the solvatochromic effect on the excitation energies and found differential effects except for the first bright excited state. Vibrational frequencies as well as IR, Raman and resonance Raman intensities are simulated and compared to their experimental counterparts. We have assigned peaks, assessed the effect of anharmonicity, and confirmed the previous assignments in case of the most intense transitions. Finally, we have studied the NMR shieldings and established the effect of the solvent polarity. The present study provides data for lumiflavin in the gas phase and in implicit solvent model that can be used as a reference for the protein‐embedded flavin simulations and assignment of experimental spectra.     

Two storage inventory model with fuzzy deterioration over a random planning horizon

An inventory model for a deteriorating item with stock dependent demand is developed under two storage facilities over a random planning horizon, which is assumed to follow exponential distribution with known parameter. For crisp deterioration rate, the expected profit is derived and maximized via genetic algorithm (GA). On the other hand, when deterioration rate is imprecise then optimistic/pessimistic equivalent of fuzzy objective function is obtained using possibility/necessity measure of fuzzy event. Fuzzy simulation process is proposed to maximize the optimistic/pessimistic return and finally fuzzy simulation-based GA is developed to solve the model. The models are illustrated with some numerical data. Sensitivity analyses on expected profit function with respect to distribution parameter λ and confidence levels α₁ and α₂ are also presented.     

Doubly Excited <Superscript>1,3</Superscript><Emphasis Type="Italic">P</Emphasis><Superscript>e</Superscript> Resonance States of the Positronium Negative Ion with Coulomb and Screened Coulomb Potentials

We have investigated the doubly excited ^1,3 P ^e resonance states of positronium negative ion with Coulomb and screened Coulomb potentials using highly accurate correlated exponential wavefunctions. For Coulomb interaction, the stabilization and the complex-rotation methods are employed to extract resonance parameters (resonance positions and widths). We have obtained two ¹ P ^e resonances and three ³ P ^e resonances below the n = 3 Ps threshold. In addition to Feshbach resonances lying below n = 3 Ps threshold, we have calculated one ³ P ^e shape resonances lying above the Ps (n = 2) threshold. For screened Coulomb (Yukawa) interaction, we employ the stabilization method to extract resonance parameters as functions screening parameter. The resonance energies and widths for ^1,3 P ^e resonance states of Ps⁻ below the n = 3 Ps threshold for different screening parameters ranging from infinity (Coulomb case) to small values are reported, along with the Ps(3S) and Ps(3P) threshold energies. The screened Coulomb results for the ^1,3 P ^e resonance states are reported for the first time in the literature.     

Flicker noise in degenerately doped Si single crystals near the metal-insulator transition

In this paper we report some of the important results of experimental investigations of the flicker noise near the metal-insulator (MI) transition in doped silicon single crystals. This is the first comprehensive work to study low-frequency noise in heavily doped Si over an extensive temperature range (2 K<T<500 K). The measurements of conductance fluctuations (flicker noise) were carried out in the frequency range 10⁻²<f<4 × 10¹ Hz in single crystalline Si across the MI transition by doping with phosphorous and boron. The magnitude of noise in heavily doped Si is much larger than that seen in lightly doped Si over the whole temperature range. The extensive temperature range covered allowed us to detect two distinct noise mechanisms. At low temperatures (T<100 K) universal conductance fluctuations (UCF) dominate and the spectral dependence of the noise is determined by dephasing the electron from defects with two-levels (TLS). At higher temperatures (T>200 K) the noise arises from activated defect dynamics. As the MI transition is approached, the 1/f spectral power, typical of the metallic regime, gets modified by the presence of discrete Lorentzians which arise from generation-recombination process which is the characteristic of a semiconductor.     

Two-warehouse production model for deteriorating inventory items with stock-dependent demand under inflation over a random planning horizon

This paper develops a production-inventory model for a deteriorating item with stock-dependent demand under two storage facilities over a random planning horizon, which is assumed to follow exponential distribution with known parameter. The effects of learning in set-up, production, selling and reduced selling is incorporated. Different inflation rates for various inventory costs and time value of money are also considered. A hybrid genetic algorithm is designed to solve the optimization problem which is hard to solve with existing algorithms due to the complexity of the decision variable. To illustrate the model and to show the effectiveness of the proposed approach a numerical example is provided. A sensitivity analysis of the optimal solution with respect to the parameters of the system is carried out.