TU Darmstadt / ULB / TUbiblio

Structural modification through pressurized sub-Tg annealing of metallic glasses

Foroughi, A. and Ashuri, H. and Tavakoli, R. and Stoica, M. and Şopu, D. and Eckert, J. (2017):
Structural modification through pressurized sub-Tg annealing of metallic glasses.
In: Journal of Applied Physics, p. 215106, 122, (21), ISSN 0021-8979,
DOI: 10.1063/1.5004058,
[Online-Edition: https://doi.org/10.1063/1.5004058],
[Article]

Abstract

The atomic structure of metallic glasses (MGs) plays an important role in their physical and mechanical properties. Numerous molecular dynamics (MD) simulations have been performed to reveal the structure of MGs at the atomic scale. However, the cooling rates utilized in most of the MD simulations (usually on the order of 10^9–10^12 K/s) are too high to allow the structure to relax into the actual structures. In this study, we performed long-term pressurized sub-T_g annealing for up to 1 micro sec using MD simulation to systematically study the structure evolution of Cu_50Zr_50 MG. We find that from relaxation to ejuvenation, structural excitation of MGs and transition during sub-T_g annealing depend on the level of hydrostatic pressure. At low hydrostatic pressures, up to 2 GPa in this alloy, the relaxation rate increases with the increasing pressure. The lowest equivalent cooling rate reaches 3.3 x 10^6 K/s in the sample annealed at 2 GPa hydrostatic pressure, which is in the order of the cooling rate in melt spinning experiments. Higher pressures retard the relaxation rate or even rejuvenate the sample. Structural relaxation at low hydrostatic pressure during sub-T_g annealing is governed by short-range atomic rearrangements through annihilation of free volume and anti-free volume defects. In contrast, at high hydrostatic pressures, most of the atoms just experience thermal vibration rather than real atomic jumps. The formation of anti-free volume defects is the main source of structural instability at the high pressure region. Published by AIP Publishing.

Item Type: Article
Erschienen: 2017
Creators: Foroughi, A. and Ashuri, H. and Tavakoli, R. and Stoica, M. and Şopu, D. and Eckert, J.
Title: Structural modification through pressurized sub-Tg annealing of metallic glasses
Language: English
Abstract:

The atomic structure of metallic glasses (MGs) plays an important role in their physical and mechanical properties. Numerous molecular dynamics (MD) simulations have been performed to reveal the structure of MGs at the atomic scale. However, the cooling rates utilized in most of the MD simulations (usually on the order of 10^9–10^12 K/s) are too high to allow the structure to relax into the actual structures. In this study, we performed long-term pressurized sub-T_g annealing for up to 1 micro sec using MD simulation to systematically study the structure evolution of Cu_50Zr_50 MG. We find that from relaxation to ejuvenation, structural excitation of MGs and transition during sub-T_g annealing depend on the level of hydrostatic pressure. At low hydrostatic pressures, up to 2 GPa in this alloy, the relaxation rate increases with the increasing pressure. The lowest equivalent cooling rate reaches 3.3 x 10^6 K/s in the sample annealed at 2 GPa hydrostatic pressure, which is in the order of the cooling rate in melt spinning experiments. Higher pressures retard the relaxation rate or even rejuvenate the sample. Structural relaxation at low hydrostatic pressure during sub-T_g annealing is governed by short-range atomic rearrangements through annihilation of free volume and anti-free volume defects. In contrast, at high hydrostatic pressures, most of the atoms just experience thermal vibration rather than real atomic jumps. The formation of anti-free volume defects is the main source of structural instability at the high pressure region. Published by AIP Publishing.

Journal or Publication Title: Journal of Applied Physics
Volume: 122
Number: 21
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 21 Dec 2017 09:42
DOI: 10.1063/1.5004058
Official URL: https://doi.org/10.1063/1.5004058
Funders: The authors would like to acknowledge technical and finical support from the Sharif University of Technology and IFW Dresden. The computing time provided by U. Nitzsche and Dr. Fathi is highly appreciated. D. Sopu thanks the German Science Foundation, (DFG) for funding through the Grant SO 1518/1-1. Additional support through the European Research Council under the Advanced Grant “INTELHYB—Next Generation of Complex Metallic, Materials in Intelligent Hybrid Structures” (Grant No. ERC- 2013-ADG-340025) is acknowledged.
Export:
Suche nach Titel in: TUfind oder in Google

Optionen (nur für Redakteure)

View Item View Item