Theoretical study of the structural stability, electronic and magnetic properties of XVSb (X == Fe, Ni, and Co) half-Heusler compounds

The structural, electronic and magnetic properties of half-Heusler compounds XVSb (X $=$ Fe, Co and Ni) are investigated by using the density functional theory with generalized gradient approximation (GGA), and Tran-Blaha modified Becke-Johnson (TB-mBJ) exchange potential approximation. It is found that the half-metallic gaps are generally reasonably widened by mBJ as compared to the GGA approximation. The magnetic proprieties of XVSb (X $=$ Fe, Co and Ni) are well defined within mBJ with an exact integer value of magnetic moment. The band gaps given by TB-mBJ are in good agreement with the available theoretical data. The FeVSb exhibits a semiconductor nature. The CoVSb and NiVSb present half-metallic behaviour with total magnetic moment of $1\mu_\text{B}$ and $2\mu_\text{B}$ in good agreement with Slater-Pauling rule. These alloys seem to be a potential candidate of spintronic devices.Comment: 9 pages, 5 figure

Frequency dependent effective conductivity of two-dimensional metal-dielectric composites

We analyze a random resistor-inductor-capacitor $(RLC)$ lattice model of 2-dimensional metal-insulator composites. The results are compared with Bruggeman's and Landauer's Effective Medium Approximations where a discrepancy was observed for some frequency zones. Such a discrepancy is mainly caused by the strong conductivity fluctuations. Indeed, a two-branches distribution is observed for low frequencies. We show also by increasing the system size that at $p_c$ the so-called Drude peak vanishes; it increases for vanishing losses.Comment: 7 pages including all figures, accepted in Int. J. Mod. Phys.

Localization and Absorption of Light in 2D Composite Metal-Dielectric Films at the Percolation Threshold

We study in this paper the localization of light and the dielectric properties of thin metal-dielectric composites at the percolation threshold and around a resonant frequency where the conductivities of the two components are of the same order. In particular, the effect of the loss in metallic components are examined. To this end, such systems are modelized as random $L-C$ networks, and the local field distribution as well as the effective conductivity are determined by using two different methods for comparison: an exact resolution of Kirchoff equations, and a real space renormalization group method. The latter method is found to give the general behavior of the effective conductivity but fails to determine the local field distribution. It is also found that the localization still persists for vanishing losses. This result seems to be in agreement with the anomalous absorption observed experimentally for such systems.Comment: 14 page latex, 3 ps figures. submitte

The Molecular Background Associated with the Progression of Hepatitis C to Hepatocellular Carcinoma

Hepatocellular carcinoma (HCC) is a major health problem worldwide. The DNA PM of cancer-related genes plays an important role in the development and progression of HCC. The data reported in our studies provide evidence that PM of p73, p14, and O6-MGMT is associated with HCC, whereas PM of the APC gene is more common in chronic hepatitis (CH) cases. Thus, it could be used as a maker for early detection of HCV-induced chronic active hepatitis. A panel of four genes APC, p73, p14, and O6-MGMT independently affected the classification of cases into HCC and CH with accuracy (89.9%), sensitivity (83.9%), and specificity (94.7%). Also, the detection of PM of APC, FHIT, p15, p16, and E-cadherin in peripheral blood of HCV-infected patients is a highly sensitive and specific. Therefore, blood could be used as efficiently as tissue biopsies to assess PM of different genes. This could help in the follow-up of CH patients and early detection of HCC. We did not observe a significant difference in the methylation status according to the virus type HBV versus HCV. So, plasma DNA is a reliable resource for methylation studies in the future, irrespective of the type of hepatitis infection

Monte Carlo simulation of the transmission of measles: Beyond the mass action principle

We present a Monte Carlo simulation of the transmission of measles within a population sample during its growing and equilibrium states by introducing two different vaccination schedules of one and two doses. We study the effects of the contact rate per unit time $\xi$ as well as the initial conditions on the persistence of the disease. We found a weak effect of the initial conditions while the disease persists when $\xi$ lies in the range 1/L-10/L ($L$ being the latent period). Further comparison with existing data, prediction of future epidemics and other estimations of the vaccination efficiency are provided. Finally, we compare our approach to the models using the mass action principle in the first and another epidemic region and found the incidence independent of the number of susceptibles after the epidemic peak while it strongly fluctuates in its growing region. This method can be easily applied to other human, animals and vegetable diseases and includes more complicated parameters.Comment: 15 pages, 4 figures, 1 table, Submitted to Phys.Rev.

Self-healing performance of multifunctional polymeric smart coatings

Multifunctional nanocomposite coatings were synthesized by reinforcing a polymeric matrix with halloysite nanotubes (HNTs) loaded with corrosion inhibitor (NaNO3) and urea formaldehyde microcapsules (UFMCs) encapsulated with a self-healing agent (linseed oil (LO)). The developed polymeric nanocomposite coatings were applied on the polished mild steel substrate using the doctor's blade technique. The structural (FTIR, XPS) and thermogravimetric (TGA) analyses reveal the loading of HNTs with NaNO3and encapsulation of UFMCs with linseed oil. It was observed that self-release of the inhibitor from HNTs in response to pH change was a time dependent process. Nanocomposite coatings demonstrate decent self-healing effects in response to the external controlled mechanical damage. Electrochemical impedance spectroscopic analysis (EIS) indicates promising anticorrosive performance of novel nanocomposite coatings. Observed corrosion resistance of the developed smart coatings may be attributed to the efficient release of inhibitor and self-healing agent in response to the external stimuli. Polymeric nanocomposite coatings modified with multifunctional species may offer suitable corrosion protection of steel in the oil and gas industry. - 2019 by the authors.Acknowledgments: This publication was made possible by NPRP Grant 9-080-2-039 from the Qatar National Research Fund (a member of the Qatar Foundation). Statements made herein are solely the responsibility of the authors. This research work was also partially supported by QU internal grant-QUCG-CAM-2018/2019-3

The effects of disorder and interactions on the Anderson transition in doped Graphene

We undertake an exact numerical study of the effects of disorder on the Anderson localization of electronic states in graphene. Analyzing the scaling behaviors of inverse participation ratio and geometrically averaged density of states, we find that Anderson metal-insulator transition can be introduced by the presence of quenched random disorder. In contrast with the conventional picture of localization, four mobility edges can be observed for the honeycomb lattice with specific disorder strength and impurity concentration. Considering the screening effects of interactions on disorder potentials, the experimental findings of the scale enlarges of puddles can be explained by reviewing the effects of both interactions and disorder.Comment: 7 pages, 7 figure