{
  "abstract": "Identifying the molecular origins of thermal and electric-field response can guide polyimide insulation design. We combined an 18-film aromatic imide oligomer ensemble, reactive molecular dynamics, and signed finite-field r2SCAN-3c calculations to separate packing, chain-end chemistry, and directional electronic response. Independently initialized films exhibited a fivefold variation in probe-accessible volume, with distinct connected void geometries at similar accessible fractions. Across sixteen 5 ps thermal trajectories, terminal imide N–H sites accounted for 20 of 21 persistent reference-bond losses; the nonterminal inventory contained 14 new C–O connectivities and one C–N loss. In six matched film pairs, nonterminal records increased from 2 to 5 at 1600 K and from 12 to 19 at 1800 K between 5 and 10 ps, revealing the growing contribution of nonterminal rearrangement. Trajectories extending to 20 ps also resolved the onset of increased mass escape. At ±2 V nm−1, the isolated ether-linked bis-imide fragment showed 0.342–0.841 eV frontier-gap narrowing across six directions, compared with at most 0.049 eV for the imide fragment, despite overlapping size-normalized induced responses. Together, these results identify chain termination and segment orientation as candidate design variables and provide quantitative descriptors for morphology-matched thermal comparisons and orientation-resolved electronic screening.",
  "abstract_shown": true,
  "affiliations": [
    ", Xi’an 710077, China;",
    "China State Key Laboratory of Electric Insulation and Power Equipment, , Xi’an 710049, China"
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 2,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Dongqiao Bai"
    },
    {
      "affs": [
        1
      ],
      "name": "Tianyu Lin"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/3a6xapar61zn8.bib",
  "cited_by": 0,
  "doi": "10.3390/nano16191236",
  "fulltext_url": "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13666579/?tool=EBI",
  "id": "3a6xapar61zn8",
  "issns": [
    "2079-4991"
  ],
  "landing_url": "https://europepmc.org/article/PMC/PMC13666579",
  "language": "eng",
  "licence": "CC-BY",
  "licence_label": "CC BY",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "2507|Synthesis and properties of polymers"
    ]
  ],
  "openalex": "W7214953415",
  "pdf_url": "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13666579/pdf/?tool=EBI",
  "pmcid": "PMC13666579",
  "pmid": null,
  "published": "2026-09-30",
  "publisher": "MDPI AG",
  "ris": "https://research.draconitic.com/paper/3a6xapar61zn8.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:35Z",
      "native_id": "PMC:PMC13666579",
      "source": "europepmc",
      "url": "https://europepmc.org/article/PMC/PMC13666579"
    },
    {
      "first_seen": "2026-10-30T12:18:45Z",
      "native_id": "10.3390/nano16191236",
      "source": "crossref",
      "url": "https://www.mdpi.com/2079-4991/16/19/1236"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2507|Synthesis and properties of polymers",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Chain-End Reactivity and Anisotropic Electronic Softening Define Candidate Design Targets in BPDA/4,4′-ODA Polyimide Insulation",
  "title_text": "Chain-End Reactivity and Anisotropic Electronic Softening Define Candidate Design Targets in BPDA/4,4′-ODA Polyimide Insulation",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:18:45Z",
  "url": "https://research.draconitic.com/paper/3a6xapar61zn8",
  "venue": "Nanomaterials (Basel, Switzerland)",
  "versions": []
}