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

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 Tg 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.