Influence of Dopants on Mechanical Properties of Steel: A Spin-Polarized Pseudopotential StudyZavodinsky V1* and Kabaldin Y2
- *Corresponding Author:
- Victor Zavodinsky
Institute for Materials Science of the Russian Academy of Sciences 153 Tikhookeanskaya str., Khabarovsk
E-mail: [email protected]
Received date: June 24, 2017; Accepted date: July 11, 2017; Published date: July 21, 2017
Citation: Zavodinsky V, Kabaldin Y (2017) Influence of Dopants on Mechanical Properties of Steel: A Spin-Polarized Pseudopotential Study. J Material Sci Eng 6: 354. doi: 10.4172/2169-0022.1000354
Copyright: © 2017 Zavodinsky V, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Density functional theory and pseudopotentials were used to study reaction of the ferrite grains interface (doped with C, P, N, Ti, Ti+N and Ti+C) on deformations. It was shown that impurities could increase or decrease the tensile strength and the elongation limit. The best effect was demonstrated for cases when Ti presents simultaneous with C; the worst case is doping iron with P. As for the shift modulus, effect is not significant.