Lattice dynamics of lithium oxide

Li₂O finds several important technological applications, as it is used in solid-state batteries, can be used as a blanket breeding material in nuclear fusion reactors, etc. Li₂O exhibits a fast ion phase, characterized by a thermally induced dynamic disorder in the anionic sub-lattice of Li⁺, at elevated temperatures around 1200 K. We have carried out lattice-dynamical calculations of Li₂O using a shell model in the quasi-harmonic approximation. The calculated phonon frequencies are in excellent agreement with the reported inelastic neutron scattering data. Thermal expansion, specific heat, elastic constants and equation of state have also been calculated which are in good agreement with the available experimental data.     

Sequence Analysis of KpnI Repeat Sequences to Revisit the Phylogeny of the Genus Carthamus L.

Repetitive DNA sequences constitute a significant proportion of eukaryotic genomes. Knowledge about the distribution of repetitive DNA sequences is necessary in order to gain insights into the organization, evolution and behavior of eukaryotic genomes. Therefore, we used two repetitive DNA sequences pCtKpnI-I and pCtKpnI-II, earlier reported in Carthamus tinctorius L. to study the phylogeny and to revise the taxonomic status of the taxa belonging to the genus. The study unraveled two major lines within the genus Carthamus; one line included all the diploid taxa (2n?=?24) and the other line comprised the taxa with 2n?=?20 and the polyploid taxa (2n?=?44 and 64). The results of the present study will prove useful in molecular breeding for improving some targeted agronomic traits in genus Carthamus.     

Horizons of modern molecular dynamics simulation in digitalized solid freeform fabrication with advanced materials

Our ability to shape and finish a component by combined methods of fabrication including (but not limited to) subtractive, additive, and/or no theoretical mass-loss/addition during the fabrication is now popularly known as solid freeform fabrication (SFF). Fabrication of a telescope mirror is a typical example where grinding and polishing processes are first applied to shape the mirror, and thereafter, an optical coating is usually applied to enhance its optical performance. The area of nanomanufacturing cannot grow without a deep knowledge of the fundamentals of materials and consequently, the use of computer simulations is now becoming ubiquitous. This article is intended to highlight the most recent advances in the computation benefit specific to the area of precision SFF as these systems are traversing through the journey of digitalization and Industry-4.0. Specifically, this article demonstrates that the application of the latest materials modelling approaches, based on techniques such as molecular dynamics, are enabling breakthroughs in applied precision manufacturing techniques.     

Amperometric immunosensor for the detection of Vibrio cholerae O1 using disposable screen-printed electrodes.

A disposable amperometric immunosensor was studied for the rapid detection of Vibrio cholerae (V. cholerae), the causative agent of cholera, employing an indirect sandwich enzyme linked immunosorbent assay (ELISA) principle. Screen-printed electrodes (SPEs) were fabricated (by using commercial and homemade carbon inks), electrochemically characterized and the assay conditions were optimized for capturing antibodies and antigen. Whole cell lysate (WCL) of V. cholerae was used to raise antibodies in rabbits and mice. The antibodies raised against WCL of V. cholerae were found to be specific, and no cross reactivity was observed with other enteric bacteria. 1-Naphthyl phosphate was used as a substrate with the amperometric detection of its enzymatic hydrolysis product 1-naphthol at a potential of +400 mV vs. Ag/AgCl reference electrode. A comparison between the amperometric detection technique and the standard ELISA was made in terms of the total assay time, the amount of biological materials used and the sensitivity of detection. The minimum detection limit of the amperometric immunosensor for V. cholerae was found to be 10(5) cells/ml in 55 min, while ELISA detected 10(6) cells/ml in 4 h.     

A Class of stochastic programs with decision dependent uncertainty

We address a class of problems where decisions have to be optimized over a time horizon given that the future is uncertain and that the optimization decisions influence the time of information discovery for a subset of the uncertain parameters. The standard approach to formulate stochastic programs is based on the assumption that the stochastic process is independent of the optimization decisions, which is not true for the class of problems under consideration. We present a hybrid mixed-integer disjunctive programming formulation for the stochastic program corresponding to this class of problems and hence extend the stochastic programming framework. A set of theoretical properties that lead to reduction in the size of the model is identified. A Lagrangean duality based branch and bound algorithm is also presented. Financial support from the ExxonMobil Upstream Research Company is gratefully acknowledged.     

Nonnegative matrices having same nonnegative moore-penrose and group inverses

Nonnegative matrices A whose Moore-Penrose generalized inverse A⁺ is nonnegative and has any one of the three equivalent properties (i) AA⁺ = A⁺A (ii) A⁺ = A, the group inverse, (iii) A⁺ = p(A), some polynomial in A with scalar coefficients, are characterized. This characterization generalizes known results on nonnegative matrices Awhose Moore-Penrose generalized inverse is equal to some power of A.     

Conditions Implying Closedness (Openness) and Perfectness of Maps

Analogues, generalizations and simplifications of theorems of Arkhangelski [1], Bourbaki [3] and Fuller [6] are given.