Preserving the half-metallicity at the Heusler alloy Co2MnSi(001) surface: a density functional theory study

We have studied the stability, the electronic, and the magnetic properties of Co2MnSi(001) thin films for 15 different terminations using density functional theory calculations. The phase diagram obtained by ab initio atomistic thermodynamics shows that in practice the MnSi, pure Mn, or pure Si terminated surfaces can be stabilized under suitable conditions. Analyzing the surface band structure, we find that the pure Mn termination, due to its strong surface-subsurface coupling, preserves the half-metallicity of the system, while surface states appear for the other terminations.     

Lyapunov control of squeezed noise quantum trajectory

The quantum trajectory renders the optimal estimation of quantum state. It is a classical Itô stochastic differential equation. The Lyapunov global stabilization problem is solved for squeezed noise quantum trajectory. Lyapunov control stabilizes the quantum system toward one eigenstate. A two-level bistable quantum system is simulated as an example.     

Structural, theoretical and multinuclear NMR study of mercury(II) complexes with a new ambidentate phosphorus ylide

The reaction of the new ambidentate ylide, Ph₃PCHCOCH₂COOC₂H₅ (EAPPY), with HgX₂ (X = Cl, Br and I) in equimolar ratios using methanol as the solvent leads to binuclear complexes of the type [EAPPY·HgX₂]₂ (X = Cl (1), Br (2) and I (3)). Single crystal X-ray analysis reveals the presence of a centrosymmetric dimeric structure containing the ylide and HgX₂ (X = Br or I)_. The IR and NMR data of the product [(EAPPY)·HgCl₂]₂ (1), formed by the reaction of mercury(II) chloride with the same ylide, are similar to those of 2 and 3. Analytical data indicate a 1:1 stoichiometry between the ylide and Hg(II) halide in each of the three products. Theoretical studies indicate that the nature of the R group in ylides of the type Ph₃PCHCOR has a weak effect on the Hg-C(ylide) bond length in binuclear Hg₂L₂I₄ complexes.     

Copper chromite decorated on nitrogen-doped graphene aerogel as an efficient catalyst for thermal decomposition of ammonium perchlorate particles

Journal of Thermal Analysis and Calorimetry - The present study reports numerical simulations of water-based Al2O3 nanofluid flowing in a 2D channel with a heated wall-mounted obstacle. The...     

Hydrodesulfurization unit for natural gas condensate

Journal of Thermal Analysis and Calorimetry - Nowadays, most of the world’s energy consumption is from fossil fuels. One of these fossil fuels is natural gas condensate which consists of...     

Naphthalimide based disperse dyes for nylon 6 and polyester (pet) fibers: Synthesis and evaluation of technical properties in the presence of urea

Technical properties of two naphthalimide based disperse dyes on nylon 6 and polyester fibers were investigated in the presence of urea.The two naphthalimide based disperse dyes were synthesized.The dyes were purified and then fully characterized using ~1H-NMR,FTIR and melting point analysis.Dispersion of the dyes was prepared in water and applied on nylon 6 and PET fibers.The dyes offered good build-up properties on the substrates.In order to increase dye adsorption of the substrates,urea was added into...     

Parametric study of the flow and temperature fields in an inductively coupled r.f. plasma torch

A theoretical investigation of the effect of different parameters on the flow and the temperature fields in a radiofrequency inductively coupled plasma is carried out. The parameters studied are: central injection gas flow rate, total gas flow rate, input power, and the type of plasma gas. The results obtained for argon and nitrogen plasmas at atmospheric pressure indicate that the flow and the temperature fields in the coil region, as well as the heat flux to the wall of the plasma confinement tube, are considerably altered by the changes in the torch operating conditions.     

The effect of the chemical composition and the volume of coated carbonate calcium on epoxy paint properties

Russian Journal of Applied Chemistry - Titanium dioxide (TiO2) is widely used in the paint industry as a white pigment. To reduce the high cost of TiO2, mineral fillers such as different calcites...