Reconstruction of α–Iron 〈100〉 Symmetric Tilt Grain Boundaries Σ17(410) and Σ13(510)

Open access

Abstract

A detailed numerical study on structure of symmetric tilt grain boundaries in α-iron is presented. The study is focused on structural and energetic optimization of 〈100〉 grain boundaries Σ5(210), Σ5(310), Σ17(410) and Σ13(510). Particular attention is given to grain boundary reconstruction, which is characterized by increased atomic density in grain boundary plane compared to bulk. The results of our numerical experiments significantly improved our knowledge about the migration of atoms between planes perpendicular as well as parallel to GB plane as an essential part of grain boundary reconstruction.

[1] MALERBA, L.—CARO, A.—WALLENIUS, J. : Multiscale Modelling of Radiation Damage and Phase Transformations: The Challenge of FeCr Alloys, J. Nucl. Mater. 382 (2008), 112–125.

[2] SUGINO, Y.—UKAI, S.—LENG, B.—OONO, N.—HAYASHI, S.—KAITO, T.—OHTSUKA, S. : Grain Boundary Related Deformation in ODS Ferritic Steel During Creep Test, Mater. Trans. 53 No. 10 (2012), 1753–1757.

[3] STECKMEYER, A.—RODRIGO, V. H.—GENTZBITTEL, J. M.—RABEAU, V.—FOURNIER, B. : Tensile Anisotropy and Creep Properties of a Fe–14CrWTi ODS Ferritic Steel, J. Nucl. Mater. 426 (2012), 182–188.

[4] MISHIN, Y.—ASTA, M.—LI, J. : Atomistic Modelling of Interfaces and their Impact on Microstructure and Properties, Acta Mater. 58 No. 148 (2010), 1117–1151.

[5] RACE, C. P.—HADIAN, R.—von PEZOLD, J.—GRABOWSKI, B.—NEUGEBAUER, J. : Mechanisms and Kinetics of the Migration of Grain Boundaries Containing Extended Defects, Phys. Rev. B 92 (2015), 174115.

[6] COMBE, N.—MOMPIOU, F.—LEGROS, M. : Disconnections Kinks and Competing Modes in Shear-Coupled Grain Boundary Migration, Phys. Rev. B 93 (2016), 024109.

[7] IBACH, H. : Physics of Surfaces and Interfaces, Springer-Verlag, Berlin, Heidelberg, 2006.

[8] TERENTYEV, D.—HE, X. : Properties of Grain Boundaries in bcc Iron and Iron-Based Alloys, SCK•CEN, Mol, Belgium, no. BLG-1072, 2010.

[9] TSCHOPP, M. A.—SOLANKI, K. N.—GAO, F.—SUN, X.—KHALEEL, M. A.—HORSTEMEYER, M. F. : Probing Grain Boundary Sink Strength at the Nanoscale: Energetics and Length Scales of Vacancy and Interstitial Absorption by Grain Boundaries in α-Fe, Phys. Rev. B 85 (2012), 064108.

[10] DAW, M. S.—BASKES, M. I. : Embedded-Atom Method: Derivation and Application to Impurities, Surfaces, and other Defects in Metals, Phys. Rev. B 29 No. 12 (1984), 6443–6453.

[11] MENDELEV, M. I.—HAN, S.—SROLOVITZ, D. J.—ACKLAND, G. J.—SUN, D.—ASTA, M. : Development of New Interatomic Potentials Appropriate for Crystalline and Liquid Iron, Philos. Mag. 83 (2003), 3977–3994.

[12] WU, M.—GU, J.—JIN, Z. : Migration Energy Barriers of Symmetric Tilt Grain Boundaries in Body-Centered Cubic Metal Fe, Scripta Mater. 107 (2015), 75–78.

Journal of Electrical Engineering

The Journal of Slovak University of Technology

Journal Information


IMPACT FACTOR 2018: 0.636
5-year IMPACT FACTOR: 0.663

CiteScore 2018: 0.88

SCImago Journal Rank (SJR) 2018: 0.200
Source Normalized Impact per Paper (SNIP) 2018: 0.771

Metrics

All Time Past Year Past 30 Days
Abstract Views 0 0 0
Full Text Views 119 92 5
PDF Downloads 60 57 3