ArticleThe journal of physical chemistry. B2022
Response of Elementary Structural Transitions in Glassy Atactic Polystyrene to Temperature and Deformation.
Article in The journal of physical chemistry. B, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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.
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.
Who cites it
1 citing paper in PubMed.
- Toward Material-Specific Peptides From in Silico Guided Peptide Engineering to Target PET in the Presence of PS.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The effects of temperature, pressure, and imposed strain on the structural transition pathways of glassy atactic polystyrene (aPS) are studied for a wide range of conditions. By employing an atomistic description of the system, we systematically explore its free energy landscape, emphasizing connections between local free energy minima. A triplet of two minima connected to each other via a first-order saddle point provides the full description of each elementary structural relaxation event. The basis of the analysis is the potential energy landscape (PEL), where efficient methods for finding saddle points and exploring transition pathways have been developed. We then translate the stationary points of the PEL to stationary points of the proper free energy landscape that obeys the macroscopically imposed constraints (either stress- or strain-controlled). By changing the temperature under isobaric conditions (i.e., Gibbs energy landscape), we probe the temperature dependence of the transition rates of the subglass relaxations of aPS, thus obtaining their activation energies by fitting to the Arrhenius equation. The imposition of different strain levels under isothermic conditions allows us to estimate the apparent activation volume of every elementary transition. Our findings are in good agreement with experimental observations for the same system, indicating that both length- and time-scales of the structural transitions of glassy aPS can be obtained by proper free energy minimization of atomistically detailed configurations.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
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.