Berlin 2015 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 17: Postersession I

MM 17.10: Poster

Monday, March 16, 2015, 18:00–20:00, Poster E

On the atomistic diffusion processes in Cu65Zr35 metallic glass by molecular dynamics simulations — •Pablo Palomino¹, Giorgos Almyras¹, Dimitris Papageorgiou², and Giorgos Evangelakis¹ — ¹Department of Physics, University of Ioannina, Ioannina 45110 Greece — ²Department of Materials Science and Engineering, University of Ioannina, Ioannina 45110, Greece

Metallic Glasses (MG) are characterized by lack of long range order and periodicity. This particularity affects seriously most of their properties, including diffusion. Despite the serious research efforts in the last decades, both experimentally and theoretically, aiming in revealing the microscopic aspects of diffusion in MGs, several questions remain still open mainly referring to the diffusion mechanisms, the empty space required for a diffusion event to occur, the energetic requirements or the driving force, e.t.c.. In the present study we performed MD simulations on a well known model MG (Cu-Zr) focusing on the microscopic aspects of diffusion in both the supercooled and below the glass transition temperature regions. It came out that diffusion takes place by means of short distance atomic displacements, which become consecutive at high temperatures and are activated by the collective vibrations of neighboring atoms. Several relevant to diffusion processes quantities were evaluated, quantified and compared with available data in the literature in the whole temperature region studied. We think that the present results could be used to enlighten phenomena related to slow diffusion like aging or creep relaxation.