{
  "id": "2007.12218",
  "version": "v1",
  "published": "2020-07-23T19:12:50.000Z",
  "updated": "2020-07-23T19:12:50.000Z",
  "title": "A universal signature in the melting of metallic nanoparticles",
  "authors": [
    "L. Delgado-Callico",
    "K. Rossi",
    "R. Pinto-Miles",
    "P. Salzbrenner",
    "F. Baletto"
  ],
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "Characterizing the melting behaviour of monometallic nanoparticles is a great challenge from both the experimental and the theoretical point of view. To this end, we disclose a universal signature based on the cluster's pair distribution function, a measurable quantity from X-ray experimental analysis tools. From a systematic investigation of metallic nanoparticles of different chemical species (Ni, Cu, Pd, Ag, Au and Pt), in a wide size range (146 to 976 atoms), and using both crystalline and five-fold twinned shapes as initial configurations, it emerges that the melting transition is signalled by the disappearance of a peak at the second nearest neighbours in the pair distribution function. To this end, we show that the relative cross-entropy of the pair distribution function between a \"cold\" and a \"hot\" reference structure correlates with their caloric curves, thus also presenting a quasi-first order transition at the melting temperature. Finally, we demonstrate the fruitful application of the proposed structural characterization method to identify the melting temperature of nanoparticles in a strongly interacting environment, where low-symmetry solid and melted phases are quasi-degenerate in energy.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2020-07-23T19:12:50.000Z"
    }
  ],
  "analyses": {
    "keywords": [
      "metallic nanoparticles",
      "universal signature",
      "clusters pair distribution function",
      "x-ray experimental analysis tools",
      "structural characterization method"
    ],
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable"
    }
  }
}