Emergent structural length scales in a model binary glass - The micro-second molecular dynamics time-scale regime

P. M. Derlet; R. Maaß

doi:10.1016/j.jallcom.2019.153209

Emergent structural length scales in a model binary glass - The micro-second molecular dynamics time-scale regime

P. M. Derlet, R. Maaß

Research output: Contribution to journal › Article › peer-review

Abstract

It is now possible to routinely perform atomistic simulations at the microsecond timescale. In the present work, we exploit this for a model binary Lennard-Jones glass to study structural relaxation at a timescale spanning up to 80 μs. It is found that at these longer time-scales, significant mobility and relaxation occurs, demonstrating a reproducible relaxation trajectory towards a class of asymptotic structural states which are strongly heterogeneous. These structures are discussed both in terms of the ideal glass state and a production route towards novel amorphous crystalline nano-composite micro-structures with strong interface stability.

Original language	English (US)
Article number	153209
Journal	Journal of Alloys and Compounds
Volume	821
DOIs	https://doi.org/10.1016/j.jallcom.2019.153209
State	Published - Apr 25 2020

Keywords

Amorphous
Atomistic simulation
Bulk metallic glasses
Structural relaxation

ASJC Scopus subject areas

Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

Online availability

10.1016/j.jallcom.2019.153209

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title = "Emergent structural length scales in a model binary glass - The micro-second molecular dynamics time-scale regime",

abstract = "It is now possible to routinely perform atomistic simulations at the microsecond timescale. In the present work, we exploit this for a model binary Lennard-Jones glass to study structural relaxation at a timescale spanning up to 80 μs. It is found that at these longer time-scales, significant mobility and relaxation occurs, demonstrating a reproducible relaxation trajectory towards a class of asymptotic structural states which are strongly heterogeneous. These structures are discussed both in terms of the ideal glass state and a production route towards novel amorphous crystalline nano-composite micro-structures with strong interface stability.",

keywords = "Amorphous, Atomistic simulation, Bulk metallic glasses, Structural relaxation",

author = "Derlet, {P. M.} and R. Maa{\ss}",

note = "Funding Information: The authors wish to thank William L. Johnson for very insightful and useful discussions. The present work was supported by the Swiss National Science Foundation under Grant No. 200021-165527 . Publisher Copyright: {\textcopyright} 2019 Elsevier B.V.",

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AU - Derlet, P. M.

AU - Maaß, R.

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Y1 - 2020/4/25

N2 - It is now possible to routinely perform atomistic simulations at the microsecond timescale. In the present work, we exploit this for a model binary Lennard-Jones glass to study structural relaxation at a timescale spanning up to 80 μs. It is found that at these longer time-scales, significant mobility and relaxation occurs, demonstrating a reproducible relaxation trajectory towards a class of asymptotic structural states which are strongly heterogeneous. These structures are discussed both in terms of the ideal glass state and a production route towards novel amorphous crystalline nano-composite micro-structures with strong interface stability.

AB - It is now possible to routinely perform atomistic simulations at the microsecond timescale. In the present work, we exploit this for a model binary Lennard-Jones glass to study structural relaxation at a timescale spanning up to 80 μs. It is found that at these longer time-scales, significant mobility and relaxation occurs, demonstrating a reproducible relaxation trajectory towards a class of asymptotic structural states which are strongly heterogeneous. These structures are discussed both in terms of the ideal glass state and a production route towards novel amorphous crystalline nano-composite micro-structures with strong interface stability.

KW - Amorphous

KW - Atomistic simulation

KW - Bulk metallic glasses

KW - Structural relaxation

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Emergent structural length scales in a model binary glass - The micro-second molecular dynamics time-scale regime

Abstract

Keywords

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