Structure, stability and mechanical properties of internal interfaces in Cu64Zr36 nanoglasses studied by MD simulations

Y Ritter and D Sopu and H Gleiter and K Albe, ACTA MATERIALIA, 59, 6588-6593 (2011).

DOI: 10.1016/j.actamat.2011.07.013

Internal interfaces in a Cu64Zr36 glass were generated by joining two planar surfaces and studied with respect to their structure and stability by means of molecular dynamics simulations. In analogy to grain boundaries in crystalline materials, glass glass interfaces are characterized by a defective short-range order and an excess free volume of about 1-2%. They are stable even close to T-g and exhibit similarities to shear bands that occur in deformed metallic glasses. When deformed in uniaxial tension, pre-existing interfaces promote shear band formation and yielding occurs at lower stress than in the homogeneous bulk glass sample. The results confirm the concept of internal interfaces in nanoglasses. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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