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Density functional theory based on the fullpotential linearized augmented plane wave (FP-LAPW) method is used to investigate the structural, magnetic, electronic, and elastic properties of Heusler alloys Co 2 YIn (Y = Ti, V). It is shown that the calculated spin magnetic moments using the local spin-density approximation (LSDA), generalized gradient approximation (GGA), LSDA + U , and Tran-Blaha (TB)-modified BeckeJohnson (mBJ)-local density approximations (LDA) are in good agreement with the Slater-Pauling rule. The obtained results with LSDA, GGA-PBE, and LSDA + U of the density of states illustrate that both compounds have a metal behavior; however, mBJ-LDA predicts Co 2 VIn alloy to be a half metal. The band structure obtained with mBJ-LDA has an indirect band gap along the -X symmetry with energy of 0.4 eV for Co 2 VIn, and E F lies in the middle of the gap; the electrons at the Fermi level are fully spin-polarized. The calculation of elastic properties indicates the stability of these compounds, and they have a ductile behavior. The 3D dependences of Young's modulus exhibit a strong anisotropic character. The high values of the elastic constant C 11 reflect the strength of the bonding Ti (V)-In.

The effect of 1H-benzotriazole (BTAH) with ppm (part per million) grade concentrations on copper corrosion in aerated 0.5 M NaCl solution is studied using chemical method (weight loss) and electrochemical methods (Potentiodynamic Polarization and Electrochemical Impedance Spectroscopy (EIS)). The present study confirm that the BTAH acts as a mixedtype inhibitor of copper corrosion in 0.5 M NaCl. The optimum inhibition efficiency is at 30 ppm of BTAH. The surface characterization performed using Scanning Electron Microscopy (SEM) to confirm the adsorption of the inhibitor molecules after 21 days of immersion time in aerated 0.5 M NaCl. The results obtained from different techniques used in this research are in very good agreement and revealed that the BTAH is a very good inhibitor of copper corrosion in sodium chloride medium. Computer Simulation techniques confirm that the BTAH molecules adsorbed on the Cu (111) Surface.

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