{
  "id": "1501.04500",
  "version": "v1",
  "published": "2015-01-19T14:20:57.000Z",
  "updated": "2015-01-19T14:20:57.000Z",
  "title": "Atomic structure and mechanical properties of carbyne",
  "authors": [
    "A. Timoshevskii",
    "S. Kotrechko",
    "Yu. Matviychuk"
  ],
  "comment": "8 pages, figures",
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "The atomic structure and mechanical properties of the carbyne (monatomic linear chains), containing from 2 to 21 carbon atoms, are theoretically investigated by ab-initio methods. We demonstrate the existence of a stable cumulene-structure in the inner part of chains with the number of atoms N>=10. We present a general stress-strain diagram of chains until the moment when they break, which enables to determine their strength, elasticity and fragility. For chains with N>=4, the relationship between the strength of the chain and the binding energy of the edge atom in the chain is established. The existence of scale-effect and \"even-odd\" effect for such properties as strength, elasticity and fragility is observed. We demonstrate that the 5-atom carbon chains show the maximum strength value.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2015-01-19T14:20:57.000Z"
    }
  ],
  "analyses": {
    "keywords": [
      "atomic structure",
      "mechanical properties",
      "monatomic linear chains",
      "general stress-strain diagram",
      "maximum strength value"
    ],
    "note": {
      "typesetting": "TeX",
      "pages": 8,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2015arXiv150104500T"
    }
  }
}