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Mechanisms of Nanoglass Ultrastability

Danilov, Denis and Hahn, Horst and Gleiter, Herbert and Wenzel, Wolfgang (2016):
Mechanisms of Nanoglass Ultrastability.
In: ACS Nano, 10 (3), American Chemical Society, USA, pp. 3241-3247, ISSN 1936-0851,
DOI: 10.1021/acsnano.5b05897,
[Online-Edition: https://doi.org/10.1021/acsnano.5b05897],
[Article]

Abstract

The origin of the astonishing properties of recently discovered ultrastable nanoglasses is presently not well understood. Nanoglasses appear to exhibit density variations not common in bulk glasses and differ significantly in thermal, magnetic, biocompatible, and mechanic properties from the bulk materials of the same composition. Here, we investigate a generic model system that permits modeling of both the physical vapor deposition process (PVD) of the nanoparticles and their consolidation into a nanoglass. We performed molecular dynamics simulations to investigate the PVD process generating nanometer-sized noncrystalline clusters and the formation of the PVD-nanoglass when these nanoclusters are consolidated. In agreement with the experiments, we find that the resulting PVD-nanoglass consists of two structural components: noncrystalline nanometer-sized cores and interfacial regions that are formed during the consolidation process. The interfacial regions were found to have an atomic structure and an internal energy that differ from the structure and internal energy of the corresponding melt-quenched glass. The resulting material represents a noncrystalline state that differs from a bulk glass with the same chemical composition and a glass obtained from nanoparticles derived from the bulk glass.

Item Type: Article
Erschienen: 2016
Creators: Danilov, Denis and Hahn, Horst and Gleiter, Herbert and Wenzel, Wolfgang
Title: Mechanisms of Nanoglass Ultrastability
Language: English
Abstract:

The origin of the astonishing properties of recently discovered ultrastable nanoglasses is presently not well understood. Nanoglasses appear to exhibit density variations not common in bulk glasses and differ significantly in thermal, magnetic, biocompatible, and mechanic properties from the bulk materials of the same composition. Here, we investigate a generic model system that permits modeling of both the physical vapor deposition process (PVD) of the nanoparticles and their consolidation into a nanoglass. We performed molecular dynamics simulations to investigate the PVD process generating nanometer-sized noncrystalline clusters and the formation of the PVD-nanoglass when these nanoclusters are consolidated. In agreement with the experiments, we find that the resulting PVD-nanoglass consists of two structural components: noncrystalline nanometer-sized cores and interfacial regions that are formed during the consolidation process. The interfacial regions were found to have an atomic structure and an internal energy that differ from the structure and internal energy of the corresponding melt-quenched glass. The resulting material represents a noncrystalline state that differs from a bulk glass with the same chemical composition and a glass obtained from nanoparticles derived from the bulk glass.

Journal or Publication Title: ACS Nano
Volume: 10
Number: 3
Publisher: American Chemical Society, USA
Uncontrolled Keywords: nanoglasses, physical vapor Deposition, ultrastable glasses, molecular dynamics simulations
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Joint Research Laboratory Nanomaterials
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 27 Jul 2017 08:11
DOI: 10.1021/acsnano.5b05897
Official URL: https://doi.org/10.1021/acsnano.5b05897
Identification Number: doi:10.1021/acsnano.5b05897
Funders: D.D. acknowledges support from Russian Foundation for Basic Research (RFBR Project No.14-29-10282-ofi-m)., This work was performed on the computational resource bwUniCluster funded by the Ministry of Science, Research and the Arts Baden-Wurttemberg and the Universities of the State of Baden-Wurttemberg, Germany, within the framework program bwHPC., H.H. and H.G. gratefully acknowledge the financial support by Deutsche Forschungsgemeinschaft under Grant HA 1344/30-1 within the Priority Programme SPP 1594, "Topological Engineering of Ultra-Strong Glasses".
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