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Homogeneous nucleation with magic numbers: Aluminum
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10.1063/1.3239469
/content/aip/journal/jcp/131/13/10.1063/1.3239469
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/13/10.1063/1.3239469
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Standard Gibbs free energy of multary association of Al clusters at 2000 K. Symbols show results based on calculations in Li et al. (Ref. 23). Solid line shows self-consistent classical model, Eq. (13), at , corresponding to .

Image of FIG. 2.
FIG. 2.

Gibbs free energy of multary association of Al clusters relative to vapor at 2000 K and a saturation ratio of 1, based on either Li et al. (Ref. 23) or CNT.

Image of FIG. 3.
FIG. 3.

Gibbs free energy of multary association of Al clusters relative to vapor at 2000 K and a saturation ratio of 20, based on Li et al. (Ref. 23) up to cluster size 60, and extrapolated beyond using the CNT expression for the free energy of stepwise addition, Eq. (20).

Image of FIG. 4.
FIG. 4.

Forward rate constants of (R1) at 2000 K, calculated either by classical molecular dynamics trajectory simulations of Li and Truhlar (Ref. 35) or by CNT.

Image of FIG. 5.
FIG. 5.

Steady-state nucleation rate versus saturation ratio at 2000 K, using either self-consistent CNT, Eq. (15), or Eq. (12) using thermodynamic data of Li et al. (Ref. 23) and kinetic data of Li and Truhlar (Ref. 35).

Image of FIG. 6.
FIG. 6.

Critical cluster size, i.e., size at which is a maximum, at 2000 K, based either on Li et al. (Ref. 23) or on CNT.

Image of FIG. 7.
FIG. 7.

Free energy of multary association of Al clusters relative to vapor, based on Li et al. (Ref. 23), at 2000 K and at saturation ratios of 10, 20, and 30.

Image of FIG. 8.
FIG. 8.

Temporal evolution of cluster number densities at 2000 K and a saturation ratio of 20 based on CNT.

Image of FIG. 9.
FIG. 9.

Temporal evolution of nucleation currents at 2000 K and a saturation ratio of 20 based on CNT. Line labeled “” is the steady-state nucleation rate given by Eqs. (15) and (16).

Image of FIG. 10.
FIG. 10.

Temporal evolution of cluster number densities at 2000 K and a saturation ratio of 20, based on thermodynamic data of Li et al. (Ref. 23) and kinetic data of Li and Truhlar (Ref. 35).

Image of FIG. 11.
FIG. 11.

Temporal evolution of nucleation currents at 2000 K and a saturation ratio of 20, based on thermodynamic data of Li et al. (Ref. 23) and kinetic data of Li and Truhlar (Ref. 35). Line labeled “” is the steady-state nucleation rate given by Eq. (12).

Image of FIG. 12.
FIG. 12.

Temporal evolution of nucleation currents for all cluster sizes 2 through 21, at 2000 K and a saturation ratio of 20. Solid bold lines are curves for magic numbers.

Image of FIG. 13.
FIG. 13.

Temporal evolution of nucleation currents for all cluster sizes 36–55, at 2000 K and a saturation ratio of 20. Solid bold lines are curves for magic numbers. Size 55, the critical size, is an antimagic number.

Image of FIG. 14.
FIG. 14.

Hypothetical linear curve of that has the same critical size, 55, and the same value of as obtained from the Li et al. (Ref. 23) data at 2000 K and . Curve is extrapolated beyond size 55 using the CNT expression for the free energy of stepwise addition, Eq. (20).

Image of FIG. 15.
FIG. 15.

Temporal evolution of nucleation currents based on the hypothetical linear curve of in Fig. 14, together with the condensation rate constants of Li and Truhlar (Ref. 29).

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/content/aip/journal/jcp/131/13/10.1063/1.3239469
2009-10-05
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Homogeneous nucleation with magic numbers: Aluminum
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/13/10.1063/1.3239469
10.1063/1.3239469
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