Evidence map›Paper›PMID 34161106›Full record

ArticleThe journal of physical chemistry. B2021

Structural Transitions in Glassy Atactic Polystyrene Using Transition-State Theory.

Georgios G Vogiatzis, Lambèrt C A van Breemen, Markus Hütter

Abstract read
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In one paragraph

Article in The journal of physical chemistry. B, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors.

Georgios G VogiatzisPolymer Technology, Department of Mechanical Engineering, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven, The Netherlands.
Lambèrt C A van BreemenPolymer Technology, Department of Mechanical Engineering, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven, The Netherlands.ORCID https://orcid.org/0000-0002-0610-1908
Markus HütterPolymer Technology, Department of Mechanical Engineering, Eindhoven University of Technology, PO Box 513, 5600 MB Eindhoven, The Netherlands.ORCID https://orcid.org/0000-0002-8161-9002

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Transition pathways on the energy landscape of atactic polystyrene (aPS) glassy specimens are probed below its glass-transition temperature. Each of these transitions is considered an elementary structural relaxation event, whose corresponding rate constant is calculated by applying multidimensional transition-state theory. Initially, a wide spectrum of first-order saddle points surrounding local minima on the energy landscape is discovered by a stabilized hybrid eigenmode-following method. Then, (minimal-energy) "reaction paths" to the adjacent minima are constructed by a quadratic descent method. The heights of the free energy, the potential energy, and the entropy barriers are estimated for every connected triplet of transition state and minima. The resulting distribution of free energy barriers is asymmetric and extremely broad, extending to very high barrier heights (over 50

Identifiers

PMID34161106
PMCPMC8279558

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LicenceCC BY-NC-ND
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Registered trials

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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.