By E. Morales
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Additional info for Alloy Steel - Properties and Use
The thermodynamically stable surfaces of the Fe1-cCrc alloys can be modeled by using periodic slab geometry consisting of a certain number of atomic layers, with surface alignment, joined to a set of empty layers representing the vacuum region. The thickness of the metal and vacuum regions is optimized keeping in mind both the computational cost on the one hand and the calculational accuracy on the other. In practice, the most common procedure in calculating the surface concentrations is to optimize the chemical composition of the surface layer only and to keep the concentrations of the other atomic layers fixed to the bulk value.
10) unlike fillers in extrinsically conductive materials . A very low electrical resistance of these polymers can be reached by oxidation. This procedure is known as “doping” and the effects defect electrons on the conjugated polymer chains. Fig. 11. Chemical structure of Polyaniline (PAni)  44 Alloy Steel – Properties and Use Fig. 12. Chemical structure of Poly(pyrrole) PPy (left), Polythiophene (PTh) (right)  Besides the electrical conductivity and light emission of the polymer the corrosion protection properties were also investigated.
Magnetic properties of 4d impurities on the (001) surfaces of nickel and iron. Phys. Rev. B, 57, 84. , Abrikosov, I. , & Wallenius, J. (2003). Ab initio formation energies of Fe-Cr alloys. J. Nucl. , 321, 84. , Abrikosov, I. , & Wallenius, J. (2006). Electronic origin of the anomalous stability of Fe-rich bcc Fe-Cr alloys. Phys. Rev. B, 73, 104416. , & Wallenius, J. (2007). Ab initio study of Cr interactions with point defects in bcc Fe Phys. Rev. B, 75, 014110. Palm, M. (2005). Concepts derived from phase diagram studies for the strengthening of FeAl-based alloys.