{
  "annotation_id": "3fdf591e-b891-4607-af94-261f31fe985b",
  "date_created": "2026-03-02T18:00:39.602000Z",
  "date_modified": "2026-03-02T18:00:39.602000Z",
  "file_hash": "8ee97a688fec175a61879ba7fb6829f64b340654dfad3ea92a5e30eca1ad4b1d",
  "private": false,
  "record": {
    "abstract": "We present the results of the modeling of proton translocation in finite\nH-bonded chains in the framework of two-stage proton transport model. We\nexplore the influence of reorientation motion of protons, as well as the effect\nof electric field and proton correlations on system dynamics. An increase of\nthe reorientation energy results in the transition of proton charge from the\nsurrounding to the inner water molecules in the chain. Proton migration along\nthe chain in an external electric field has a step-like character, proceeding\nwith the occurrence of electric field threshold-type effects and drastic\nredistribution of proton charge. Electric field applied to correlated chains\ninduces first a formation of ordered dipole structures for lower field\nstrength, and than, with a further field strength increase, a stabilization of\nstates with Bjerrum D-defects. We analyze the main factors responsible for the\nformation/annihilation of Bjerrum defects showing the strong influence of the\ncomplex interplay between reorientation energy, electric field and temperature\nin the dynamics of proton wire.",
    "arxiv_id": "physics/0204047",
    "authors": [
      "Natalie Pavlenko"
    ],
    "categories": [
      "physics.bio-ph",
      "physics.chem-ph"
    ],
    "doi": "10.1088/0953-8984/15/2/329",
    "journal_ref": "J. Phys.:Condensed Matter 15, 291 (2003)",
    "title": "Proton Wires in an Electric Field: the Impact of Grotthuss Mechanism on   Charge Translocation",
    "url": "https://arxiv.org/abs/physics/0204047"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "b9692487-7567-43d4-a7bf-8f8a60fb7bd6",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}