Molecular Insights into Dynamic Relaxation in Vitrimers: Transesterification-Driven Self-Healing at the Atomistic Level.

Hao Yuan, Austin Knight, Long Jiang, Liangliang Huang

Abstract read

In one paragraph

Article in Materials (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it

0cells of the map it votes in

0citing 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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

4 authors.

Hao YuanSchool of Sustainable Chemical, Biological and Materials Engineering, University of Oklahoma, Norman, OK 73019, USA.

Austin KnightDepartment of Mechanical Engineering, North Dakota State University, Fargo, ND 58108, USA.ORCID 0009-0009-7853-6650

Long JiangDepartment of Mechanical Engineering, North Dakota State University, Fargo, ND 58108, USA.ORCID 0000-0002-1781-134X

Liangliang HuangSchool of Sustainable Chemical, Biological and Materials Engineering, University of Oklahoma, Norman, OK 73019, USA.ORCID 0000-0003-2358-9375

Funding

U.S. Department of Transportation PHMSA 693JK32250009CAAP

6 · The paper itself

Abstract

Vitrimers are covalent adaptable networks that combine the structural stability of thermosets with self-healing enabled by dynamic covalent bonds. However, the molecular-level interplay among polymerization, prescribed bond-exchange reactions (BERs), finite-time mechanical relaxation, and nanoscale interfacial recovery remains incompletely understood. Here, we employ all-atom molecular dynamics simulations with the REACTER template-based reaction algorithm to construct a Bis-GMA/2-HEMA methacrylate polymer assembly and to model temperature-dependent transesterification. The resulting structure exhibits heterogeneous connectivity and a simulated glass transition temperature consistent with reported trends. With the imposed BER-acceptance window centered near the simulated T

Indexed as

bond–exchange reactionscovalent adaptable networkmolecular dynamics simulationself-healing polymersvitrimer

Identifiers

PMID42738140

DOI10.3390/ma19173702

PMCPMC13567598

What Socratic holds

Textmetadata

Read underepoch 390

Registered trials

None linked

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 Socratic graph.