Calculation of the P-T phase diagram and tendency toward decomposition in equiatomic TiZr alloy

Electronic, structural and thermodynamic properties of the equiatomic alloy TiZr are calculated within the electron density functional theory and the Debye-Gruneisen model. The calculated values of the lattice parameters a and c/a agree well with the experimental data for the alpha, omega and beta phases. The omega phase is shown to be stable at atmospheric pressure and low temperatures; it remains energetically preferable up to T=600K. The alpha phase of the TiZr alloy becomes stable in the range 600K<T<900K, and the beta phase at temperatures above 900K. The constructed phase diagram qualitatively agrees with the experimental data available. The tendency toward decomposition in the equiatomic alloy omega-TiZr is studied. It is shown that in the ground state the omega phase of the ordered equiatomic alloy TiZr has a tendency toward ordering, rather than decomposition.Comment: 6 pages, 8 figure

A density functional study of pressure induced superconductivity in P and its implication for spintronics

The stability of high-pressure phases of P has been studied using density functional theory and the local density approximation. Using a linear response technique, we have calculated the phonon spectrum and electron-phonon interaction for bcc P and predict it to be superconducting with $T_c$ of 19 K. We propose that this phase might be realized in epitaxial thin films using templates such as V(100), Fe(100) or Cr(100) relevant to spintronics applications.Comment: 4 pages, 4 figure

The effect of argon plasma on variable-valence oxides in synthesis of minerals

The results of studying plasma treatment of chromium, titanium, and iron oxides are discussed. It is demonstrated that variable-valence oxides become partly reduced in argon plasmayesBelgorod State Universit

The effect of argon plasma on variable-valence oxides in synthesis of minerals

yesThe results of studying plasma treatment of chromium, titanium, and iron oxides are discussed. It is demonstrated that variable-valence oxides become partly reduced in argon plasmaBelgorod State Universit

A photosynthetic process modelled by a metabolic P system

Photosynthesis is the process used by plants, algae and some bacteria to obtain biochemical energy from sunlight. It is the most important process allowing life on earth. In this work, by applying the Log Gain theory of Metabolic P Systems, we define a mathematical model of an important photosynthetic phenomenon, called Non Photochemical Quenching (shortly NPQ), that determines the plant accommodation to the environmental light. Starting from experimental data of this phenomenon, we are able to deduce a Metabolic P system which provides, in a specific simplified case, the regulation mechanism underling the NPQ process. The dynamics of our model, generated by suitable computational tools, reproduce, with a very good approximation, the observed behaviour of the natural system