Evidence map›Paper›PMID 36639380›Full record

ArticleNature communications2023

Understanding the emergence of the boson peak in molecular glasses.

Mario González-Jiménez, Trent Barnard, Ben A Russell, Nikita V Tukachev, Uroš Javornik, Laure-Anne Hayes, Andrew J Farrell, Sarah Guinane, Hans M Senn, Andrew J Smith and 7 more

Erratum issuedAbstract read
In one paragraph

Article in Nature communications, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

7 citing papers in PubMed.

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4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

17 authors.

Mario González-JiménezSchool of Chemistry, University of Glasgow, Glasgow, UK.ORCID http://orcid.org/0000-0002-8853-0588
Trent BarnardDepartment of Chemistry, University of Warwick, Warwick, UK.
Ben A RussellSchool of Chemistry, University of Glasgow, Glasgow, UK.ORCID http://orcid.org/0000-0002-8740-6040
Nikita V TukachevSchool of Chemistry, University of Glasgow, Glasgow, UK.ORCID http://orcid.org/0000-0002-2647-447X
Uroš JavornikSlovenian NMR Centre, National Institute of Chemistry, Ljubljana, Slovenia.ORCID http://orcid.org/0000-0002-7959-6681
Laure-Anne HayesSchool of Chemistry, University of Glasgow, Glasgow, UK.ORCID http://orcid.org/0000-0002-7936-7192
Andrew J FarrellSchool of Chemistry, University of Glasgow, Glasgow, UK.ORCID http://orcid.org/0000-0002-8717-9271
Sarah GuinaneSchool of Chemistry, University of Glasgow, Glasgow, UK.
Hans M SennSchool of Chemistry, University of Glasgow, Glasgow, UK.ORCID http://orcid.org/0000-0001-8232-5957
Andrew J SmithDiamond Light Source, Harwell Science and Innovation Campus, Harwell, UK.ORCID http://orcid.org/0000-0003-3745-7082
Martin WildingSchool of Chemistry, University of Cardiff, Cardiff, UK.ORCID http://orcid.org/0000-0002-0802-0423
Gregor MaliDepartment of Inorganic Chemistry and Technology, National Institute of Chemistry, Ljubljana, Slovenia.ORCID http://orcid.org/0000-0002-9012-2495
Motohiro NakanoResearch Center for Thermal and Entropic Science, Osaka University, Osaka, Japan.ORCID http://orcid.org/0000-0002-2599-5740
Yuji MiyazakiResearch Center for Thermal and Entropic Science, Osaka University, Osaka, Japan.
Paul McMillanDepartment of Chemistry, University College London, London, UK.ORCID http://orcid.org/0000-0002-5298-780X
Gabriele C SossoDepartment of Chemistry, University of Warwick, Warwick, UK. G.Sosso@warwick.ac.uk.ORCID http://orcid.org/0000-0002-6156-7399
Klaas WynneSchool of Chemistry, University of Glasgow, Glasgow, UK. klaas.wynne@glasgow.ac.uk.ORCID http://orcid.org/0000-0002-5305-5940

Funding

Diamond Light Source SM27885EC | EU Framework Programme for Research and Innovation H2020 | H2020 Priority Excellent Science | H2020 European Research Council (H2020 Excellent Science - European Research Council) 832703Leverhulme Trust RPG-2018-350RCUK | Engineering and Physical Sciences Research Council (EPSRC) EP/N007417/1RCUK | Engineering and Physical Sciences Research Council (EPSRC) EP/S022244/1RCUK | Engineering and Physical Sciences Research Council (EPSRC) EP/T022108/1
6 · The paper itself

Abstract

A common feature of glasses is the "boson peak", observed as an excess in the heat capacity over the crystal or as an additional peak in the terahertz vibrational spectrum. The microscopic origins of this peak are not well understood; the emergence of locally ordered structures has been put forward as a possible candidate. Here, we show that depolarised Raman scattering in liquids consisting of highly symmetric molecules can be used to isolate the boson peak, allowing its detailed observation from the liquid into the glass. The boson peak in the vibrational spectrum matches the excess heat capacity. As the boson peak intensifies on cooling, wide-angle x-ray scattering shows the simultaneous appearance of a pre-peak due to molecular clusters consisting of circa 20 molecules. Atomistic molecular dynamics simulations indicate that these are caused by over-coordinated molecules. These findings represent an essential step toward our understanding of the physics of vitrification.

Identifiers

PMID36639380
PMCPMC9839737

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.