{
  "abstract": "An experiment has shown that ∼10 nm Si nanoparticles undergo a Si-I (diamond cubic) to Si-V (simple hexagonal) phase transition under compression, in contrast to the Si-I to Si-II (tetragonal) transition observed in bulk silicon. However, the atomistic mechanism underlying this size-dependent transition pathway remains unclear. Here, we employ molecular dynamics simulations with a machine learning interatomic potential to reveal a stress triaxiality-driven, two-step Si-I to Si-V transition pathway in a spherical Si nanoparticle subjected to an idealized triaxial contact loading model. An intermediate amorphous phase nucleates at the nanoparticle surface and propagates inward around the Si-I core in regions of low stress triaxiality dominated by shear. Within this amorphous shell, Si-V recrystallizes at locations with increased stress triaxiality and hydrostatic pressure. Upon unloading, the Si-V structure transforms into an amorphous state. A subsequent loading-unloading cycle applied to this amorphous nanoparticle reveals a reversible amorphous-to-Si-V transformation, demonstrating a nanoscale phase memory effect.",
  "abstract_shown": true,
  "affiliations": [
    "J. Mike Walker '66 Department of Mechanical Engineering, Texas A&M University, College Station, Texas77843, United States.",
    "Department of Materials Science & Engineering, Texas A&M University, College Station, Texas77843, United States."
  ],
  "article_type": "research article",
  "arxiv": null,
  "author_total": 3,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Ziye Deng",
      "orcid": "0009-0006-5999-9105"
    },
    {
      "affs": [
        0
      ],
      "name": "Reza Namakian",
      "orcid": "0000-0002-5248-4129"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Wei Gao",
      "orcid": "0000-0002-6197-1455"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/2zxmbd6d5jjtd.bib",
  "cited_by": 0,
  "doi": "10.1021/acs.nanolett.6c02592",
  "fulltext_url": "https://europepmc.org/articles/PMC13632584",
  "id": "2zxmbd6d5jjtd",
  "issns": [
    "1530-6984",
    "1530-6992"
  ],
  "landing_url": "https://europepmc.org/article/MED/42916626",
  "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",
      "2505|Microstructure and mechanical properties"
    ]
  ],
  "openalex": "W4415087568",
  "pdf_url": "https://europepmc.org/articles/PMC13632584?pdf=render",
  "pmcid": "PMC13632584",
  "pmid": "42916626",
  "published": "2026-09-01",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/2zxmbd6d5jjtd.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:21:02Z",
      "native_id": "MED:42916626",
      "source": "europepmc",
      "url": "https://europepmc.org/article/MED/42916626"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:2505|Microstructure and mechanical properties",
      "subfield": "materials-polymers"
    }
  ],
  "title": "Amorphization-Mediated Si-I to Si-V Phase Transition and Reversible Amorphous Si-V Phase Memory in Silicon Nanoparticles.",
  "title_text": "Amorphization-Mediated Si-I to Si-V Phase Transition and Reversible Amorphous Si-V Phase Memory in Silicon Nanoparticles.",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:21:02Z",
  "url": "https://research.draconitic.com/paper/2zxmbd6d5jjtd",
  "venue": "Nano letters",
  "versions": []
}