TY - JOUR

T1 - Correlation between structural heterogeneity and plastic deformation for phase separating FeCu metallic glasses

AU - Peng, Chuan Xiao

AU - Song, Kaikai

AU - Wang, Li

AU - Şopu, Daniel

AU - Pauly, Simon

AU - Eckert, Jürgen

PY - 2016/9/29

Y1 - 2016/9/29

N2 - Unlike crystalline metals, the plastic deformation of metallic glasses (MGs) involves a competition between disordering and structural relaxation ordering, which is not well understood, yet. Molecular dynamics (MD) simulations were performed to investigate the evolutions of strain localizations, short-range order (SRO) as well as the free volume in the glass during compressive deformation of Fe 50 Cu 50 MGs with different degrees of phase separation. Our findings indicate that the free volume in the phase separating MGs decreases while the shear strain localizations increase with increasing degree of phase separation. Cu-centered clusters show higher potential energies and Voronoi volumes, and bear larger local shear strains. On the other hand, Fe-centered pentagon-rich clusters in Cu-rich regions seem to play an important role to resist the shear transformation. The dilatation or annihilation of Voronoi volumes is due to the competition between ordering via structural relaxation and shear stress-induced deformation. The present study could provide a better understanding of the relationship between the structural inhomogeneity and the deformation of MGs.

AB - Unlike crystalline metals, the plastic deformation of metallic glasses (MGs) involves a competition between disordering and structural relaxation ordering, which is not well understood, yet. Molecular dynamics (MD) simulations were performed to investigate the evolutions of strain localizations, short-range order (SRO) as well as the free volume in the glass during compressive deformation of Fe 50 Cu 50 MGs with different degrees of phase separation. Our findings indicate that the free volume in the phase separating MGs decreases while the shear strain localizations increase with increasing degree of phase separation. Cu-centered clusters show higher potential energies and Voronoi volumes, and bear larger local shear strains. On the other hand, Fe-centered pentagon-rich clusters in Cu-rich regions seem to play an important role to resist the shear transformation. The dilatation or annihilation of Voronoi volumes is due to the competition between ordering via structural relaxation and shear stress-induced deformation. The present study could provide a better understanding of the relationship between the structural inhomogeneity and the deformation of MGs.

UR - http://www.scopus.com/inward/record.url?scp=84989812221&partnerID=8YFLogxK

U2 - 10.1038/srep34340

DO - 10.1038/srep34340

M3 - Article

AN - SCOPUS:84989812221

VL - 6.2016

JO - Scientific reports (London : Nature Publishing Group)

JF - Scientific reports (London : Nature Publishing Group)

SN - 2045-2322

IS - 11

M1 - 34340

ER -