{
  "abstract": "In this study, we employ classical molecular dynamics (MD) simulations to investigate the crystallisation kinetics of supercooled liquid palladium and relate the results to time-resolved X-ray diffraction measurements on rapidly quenched Pd thin films. Crystal nucleation and growth rates are determined over the temperature range $700$--$1150~\\mathrm{K}$ ($0.38$--$0.65 T_{\\mathrm{m}}$) by analysing the evolution of the microstructure during the liquid-to-crystal transition. The self-diffusion coefficient of Pd, obtained from the atomic mean-squared displacement, follows Arrhenius behaviour over the investigated temperature range, with an activation energy of $467(6)~\\mathrm{meV/atom}$, consistent with available data for supercooled liquid metals. The steady-state homogeneous nucleation rate exhibits a maximum of approximately $4 \\times 10^{35}~\\mathrm{m^{-3} s^{-1}}$ near $0.5 T_{\\mathrm{m}}$. Crystal growth occurs at velocities of the order of metres per second, with a temperature dependence consistent with diffusion-limited Wilson-Frenkel kinetics rather than the collision-limited regime. Based on multiple statistically independent simulations, a time-temperature-transformation (TTT) diagram for crystallisation onset is constructed. The TTT curve exhibits a nose near $0.5 T_{\\mathrm{m}}$ and $100~\\mathrm{ps}$, corresponding to a critical cooling rate for vitrification on the order of $10^{13}~\\mathrm{K s^{-1}}.$ The simulations reproduce the crystallisation onset time and temperature observed in time-resolved X-ray diffraction experiments on optically molten Pd thin films quenched at $5 \\times 10^{11}~\\mathrm{K s^{-1}}.$ These results indicate that homogeneous, rather than heterogeneous, nucleation governs the achievable supercooling in the experimentally studied films.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2605.31399",
  "author_total": 16,
  "authors": [
    {
      "name": "Zuzanna Kostera"
    },
    {
      "name": "Przemyslaw Dziegielewski"
    },
    {
      "name": "Christian Bressler"
    },
    {
      "name": "Wojciech Gawelda"
    },
    {
      "name": "Konstantinos Georgarakis"
    },
    {
      "name": "Dmitry Khakhulin"
    },
    {
      "name": "Oleksii I. Liubchenko"
    },
    {
      "name": "Adam Olczak"
    },
    {
      "name": "Angel Rodriguez-Fernandez"
    },
    {
      "name": "Ryszard Sobierajski"
    },
    {
      "name": "Klaus Sokolowski-Tinten"
    },
    {
      "name": "Peihao Sun"
    },
    {
      "name": "Robert W. E. van de Kruijs"
    },
    {
      "name": "Hazem Yousef"
    },
    {
      "name": "Peter Zalden"
    },
    {
      "name": "Jerzy Antonowicz"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/7f10sfhqq6q3b.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2605.31399",
  "fulltext_url": null,
  "id": "7f10sfhqq6q3b",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2605.31399",
  "language": null,
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "cond-mat.mtrl-sci"
    ],
    [
      "arxiv",
      "physics.chem-ph"
    ]
  ],
  "openalex": null,
  "pdf_url": "https://arxiv.org/pdf/2605.31399",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-12",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/7f10sfhqq6q3b.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:29:06Z",
      "native_id": "2605.31399",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2605.31399"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "arxiv:physics.chem-ph",
      "subfield": "physical"
    },
    {
      "field": "physics",
      "origin": "arxiv:cond-mat.mtrl-sci",
      "subfield": "condensed-matter"
    }
  ],
  "title": "Crystallisation kinetics of supercooled liquid palladium",
  "title_text": "Crystallisation kinetics of supercooled liquid palladium",
  "type": "preprint",
  "updated_at": "2026-10-30T12:29:06Z",
  "url": "https://research.draconitic.com/paper/7f10sfhqq6q3b",
  "venue": "arXiv",
  "versions": []
}