Surface nucleation in the freezing of gold nanoparticles.

@article{MendezVilluendas2007SurfaceNI,
  title={Surface nucleation in the freezing of gold nanoparticles.},
  author={Eduardo Mendez-Villuendas and Richard K Bowles},
  journal={Physical review letters},
  year={2007},
  volume={98 18},
  pages={
          185503
        }
}
We use molecular simulation to calculate the nucleation free energy barrier for the freezing of a 456 atom gold cluster over a range of temperatures. The results show that the embryo of the solid cluster grows at the vapor-surface interface for all temperatures studied and that the usual classical nucleation model, with the embryo growing in the core of the cluster, is unable to predict the shape of the free energy barrier. We use a simple partial wetting model that treats the crystal as a lens… Expand

Figures and Topics from this paper

A numerical study of the growth process of Au nanometre-sized particles in liquid phases.
  • F. Delogu
  • Materials Science, Medicine
  • Nanotechnology
  • 2008
Molecular dynamics simulations have been employed to study the growth of faceted and spherical gold (Au) nanometre-sized particles in undercooled Au melts and supersaturated Kr-, Xe- and Rn-basedExpand
A numerical study of the freezing behavior of an unsupported nanometer-sized Au droplet
Molecular dynamics calculations have been employed to simulate the freezing transition of an unsupported nanometer-sized Au droplet with a radius of about 3 nm. The freezing point was initiallyExpand
A limit of stability in supercooled liquid clusters.
TLDR
The metastable liquid phase of a supercooled gold nanocluster is examined by studying the free energy landscape using the largest solidlike embryo as an order parameter and it is suggested that this supports the idea that freezing becomes a barrierless process at low temperatures. Expand
Molecular dynamics simulations of crystallization of Lennard-Jones nanoparticles
Crystallization of Lennard-Jones nanoparticles has been studied by molecular dynamics (MD) simulations. Spherical models with free surface are cooled from the melt to crystalline state. In theExpand
Molecular Dynamics Simulations of Competitive Freezing in Gold Nanoclusters
Molecular dynamics simulations are used to study the competitive freezing of icosahedral, decahedral, polydecahedral, and face-centered cubic structures in gold nanoclusters for a range of clusterExpand
Atomistic Mechanisms Underlying the Freezing Behavior of Metal Nanodroplets
The freezing behavior of nanometer-sized particles of metallic systems is still an open issue, with considerable relevance to a wide spectrum of industrial applications. Understanding the fundamentalExpand
Crystallization of Lennard-Jones nanodroplets: From near melting to deeply supercooled.
TLDR
It is found that crystallization begins with hcp-fcc stacked precritical nuclei and differentiation to various end structures occurs when these embryos become critical, and the bulk melting temperature controls the rate, even though the solid-liquid coexistence temperature for the droplet is significantly lower. Expand
Nucleation at the contact line observed on nanotextured surfaces.
TLDR
It is found that nanoscale texture causes a shift in the nucleation of ice in supercooled water to the three-phase contact line, while microscale texture does not. Expand
Low energy cluster deposition of nanoalloys
Low energy deposition of metal alloy nanoclusters is studied by molecular dynamics simulations. In a previous study, two mechanisms were introduced for epitaxial alignment of elemental clusters: TheExpand
Mechanism of two-step vapour–crystal nucleation in a pore
We present a numerical study of the effect of hemispherical pores on the nucleation of Lennard–Jones crystals from the vapour phase. As predicted by Page and Sear, there is a narrow range of poreExpand
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 32 REFERENCES
MASTER’S THESIS
Web mediated communications revolutionized traditional social interactions. It is designed to facilitate information exchange between individuals and to enable people to connect with friends, family,Expand
Chem
  • B, 105 11605,
  • 2001
Phys
  • 120, 3015
  • 2004
J. Chem. Phys
  • J. Chem. Phys
  • 2006
Phys
  • 124, 204511
  • 2006
Phys
  • Rev. E, 74 021605
  • 2006
Phys. Rev. E
  • Phys. Rev. E
  • 2006
J. Chem. Phys
  • J. Chem. Phys
  • 2005
...
1
2
3
4
...