---
res:
  bibo_abstract:
  - Macroscopic models of nucleation provide powerful tools for understanding activated
    phase transition processes. These models do not provide atomistic insights and
    can thus sometimes lack material-specific descriptions. Here, we provide a comprehensive
    framework for constructing a continuum picture from an atomistic simulation of
    homogeneous nucleation. We use this framework to determine the equilibrium shape
    of the solid nucleus that forms inside bulk liquid for a Lennard-Jones potential.
    From this shape, we then extract the anisotropy of the solid-liquid interfacial
    free energy, by performing a reverse Wulff construction in the space of spherical
    harmonic expansions. We find that the shape of the nucleus is nearly spherical
    and that its anisotropy can be perfectly described using classical models.@eng
  bibo_authorlist:
  - foaf_Person:
      foaf_givenName: Bingqing
      foaf_name: Cheng, Bingqing
      foaf_surname: Cheng
      foaf_workInfoHomepage: http://www.librecat.org/personId=cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9
    orcid: 0000-0002-3584-9632
  - foaf_Person:
      foaf_givenName: Michele
      foaf_name: Ceriotti, Michele
      foaf_surname: Ceriotti
  - foaf_Person:
      foaf_givenName: Gareth A.
      foaf_name: Tribello, Gareth A.
      foaf_surname: Tribello
  bibo_doi: 10.1063/1.5134461
  bibo_issue: '4'
  bibo_volume: 152
  dct_date: 2020^xs_gYear
  dct_isPartOf:
  - http://id.crossref.org/issn/0021-9606
  - http://id.crossref.org/issn/1089-7690
  dct_language: eng
  dct_publisher: AIP Publishing@
  dct_title: Classical nucleation theory predicts the shape of the nucleus in homogeneous
    solidification@
  fabio_hasPubmedId: '32007057'
...