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Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks

Wenkai Wu, Theodore Pavloudis, Alexey V Verkhovtsev Orcid Logo, Andrey V Solov’yov, Richard Palmer Orcid Logo

Nanotechnology, Volume: 33, Issue: 27, Start page: 275602

Swansea University Authors: Wenkai Wu, Theodore Pavloudis, Richard Palmer Orcid Logo

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DOI (Published version): 10.1088/1361-6528/ac5e6d

Abstract

Neuromorphic computing systems may be the future of computing and cluster-based networks are a promising architecture for the realization of these systems. The creation and dissolution of synapses between the clusters are of great importance for their function. In this work, we model the thermal bre...

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Published in: Nanotechnology
ISSN: 0957-4484 1361-6528
Published: IOP Publishing 2022
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URI: https://cronfa.swan.ac.uk/Record/cronfa60490
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spelling 2022-08-02T12:36:50.8833493 v2 60490 2022-07-13 Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks a16d7aa164dbd160483d176cd72c1fdd Wenkai Wu Wenkai Wu true false dd06e768e93bf50482735456af6f5a04 Theodore Pavloudis Theodore Pavloudis true false 6ae369618efc7424d9774377536ea519 0000-0001-8728-8083 Richard Palmer Richard Palmer true false 2022-07-13 Neuromorphic computing systems may be the future of computing and cluster-based networks are a promising architecture for the realization of these systems. The creation and dissolution of synapses between the clusters are of great importance for their function. In this work, we model the thermal breakage of a gold nanofilament located between two gold nanoparticles via molecular dynamics simulations to study on the mechanisms of neuromorphic nanoparticle-based devices. We employ simulations of Au nanowires of different lengths (20–80 Å), widths (4–8 Å) and shapes connecting two Au1415 nanoparticles (NPs) and monitor the evolution of the system via a detailed structural identification analysis. We found that atoms of the nanofilament gradually aggregate towards the clusters, causing the middle of wire to gradually thin and then break. Most of the system remains crystalline during this process but the center is molten. The terminal NPs increase the melting point of the NWs by fixing the middle wire and act as recrystallization areas. We report a strong dependence on the width of the NWs, but also their length and structure. These results may serve as guidelines for the realization of cluster-based neuromorphic computing systems. Journal Article Nanotechnology 33 27 275602 IOP Publishing 0957-4484 1361-6528 Atomic-switch networks, nanoclusters, nanoparticles, neuromorphic computing, molecular dynamics 2 7 2022 2022-07-02 10.1088/1361-6528/ac5e6d Data availability statement: The data that support the findings of this study are available upon reasonable request from the authors. COLLEGE NANME COLLEGE CODE Swansea University SU Library paid the OA fee (TA Institutional Deal) The authors are grateful for partial financial support from the European Union’s Horizon 2020 research and innovation programme—the RADON project (GA 872494) within the H2020-MSCA-RISE-2019 call. This work was also supported in part by Deutsche Forschungsgemeinschaft (Project no. 415716638). 2022-08-02T12:36:50.8833493 2022-07-13T15:59:45.0988097 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering Wenkai Wu 1 Theodore Pavloudis 2 Alexey V Verkhovtsev 0000-0003-1561-9554 3 Andrey V Solov’yov 4 Richard Palmer 0000-0001-8728-8083 5 60490__24587__21747f2206d7401197dd187f28fdafd4.pdf 60490.pdf 2022-07-13T16:03:14.8175919 Output 1301926 application/pdf Version of Record true © 2022 The Authors. Released under the terms of a Creative Commons Attribution 4.0 licence true eng http://creativecommons.org/licenses/by/4.0
title Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks
spellingShingle Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks
Wenkai Wu
Theodore Pavloudis
Richard Palmer
title_short Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks
title_full Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks
title_fullStr Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks
title_full_unstemmed Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks
title_sort Molecular dynamics simulation of nanofilament breakage in neuromorphic nanoparticle networks
author_id_str_mv a16d7aa164dbd160483d176cd72c1fdd
dd06e768e93bf50482735456af6f5a04
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author_id_fullname_str_mv a16d7aa164dbd160483d176cd72c1fdd_***_Wenkai Wu
dd06e768e93bf50482735456af6f5a04_***_Theodore Pavloudis
6ae369618efc7424d9774377536ea519_***_Richard Palmer
author Wenkai Wu
Theodore Pavloudis
Richard Palmer
author2 Wenkai Wu
Theodore Pavloudis
Alexey V Verkhovtsev
Andrey V Solov’yov
Richard Palmer
format Journal article
container_title Nanotechnology
container_volume 33
container_issue 27
container_start_page 275602
publishDate 2022
institution Swansea University
issn 0957-4484
1361-6528
doi_str_mv 10.1088/1361-6528/ac5e6d
publisher IOP Publishing
college_str Faculty of Science and Engineering
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hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering
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description Neuromorphic computing systems may be the future of computing and cluster-based networks are a promising architecture for the realization of these systems. The creation and dissolution of synapses between the clusters are of great importance for their function. In this work, we model the thermal breakage of a gold nanofilament located between two gold nanoparticles via molecular dynamics simulations to study on the mechanisms of neuromorphic nanoparticle-based devices. We employ simulations of Au nanowires of different lengths (20–80 Å), widths (4–8 Å) and shapes connecting two Au1415 nanoparticles (NPs) and monitor the evolution of the system via a detailed structural identification analysis. We found that atoms of the nanofilament gradually aggregate towards the clusters, causing the middle of wire to gradually thin and then break. Most of the system remains crystalline during this process but the center is molten. The terminal NPs increase the melting point of the NWs by fixing the middle wire and act as recrystallization areas. We report a strong dependence on the width of the NWs, but also their length and structure. These results may serve as guidelines for the realization of cluster-based neuromorphic computing systems.
published_date 2022-07-02T08:12:43Z
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