{
  "annotation_id": "08abaa50-81ea-41c4-9739-a60ed90c7037",
  "date_created": "2026-03-02T18:00:35.184000Z",
  "date_modified": "2026-03-02T18:00:35.184000Z",
  "file_hash": "5697b873f563e627dd0da1ec28c5ccd1d51012060c23f6722cf0abc74faf150c",
  "private": false,
  "record": {
    "abstract": "The pressure-induced structural transition in fcc C$_{60}$ fullerene by shock\ncompression and rapid quenching is investigated by a semi-empirical\ntight-binding molecular dynamics simulation, adopting a constant-pressure\nscheme and a method of the order N electronic structure calculation. At first,\nthe process of the amorphization of C$_{60}$ is demonstrated. The simulated\nresults indicated that, in the material fabricated after the quenching, the\nremaining dangling bonds have a large influence on physical properties, such\nas, the density and the presence of the band gap at the Fermi level. We have\nfurthermore studied the formation of the short-range order, observed as\namorphous diamond. In order to form the amorphous diamond phase, the bonding\nstate of sp$^2$ must be turned into that of sp$^3$. The transition process is\nseriously influenced from the the external pressure, the temperature, or the\npresence of hydrogen. The comparison to the pressure-induced structural\ntransition in the graphite is also executed and a brief discussion on the\ndifference in those carbon crystals is given.",
    "arxiv_id": "physics/0102075",
    "authors": [
      "Akihito Kikuchi",
      "Shinji Tsuneyuki"
    ],
    "categories": [
      "physics.comp-ph"
    ],
    "title": "Molecular dynamics simulation for pressure-induced structural transition   from C$_{60}$ fullerene into amorphous diamond",
    "url": "https://arxiv.org/abs/physics/0102075"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "f64603ad-8a0b-473b-bfb9-35fdb3d4627a",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}