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Nucleation and cavitation of spherical, cylindrical, and slablike droplets and bubbles in small systems
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10.1063/1.2218845
/content/aip/journal/jcp/125/3/10.1063/1.2218845
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/3/10.1063/1.2218845

Figures

Image of FIG. 1.
FIG. 1.

Pressure vs chemical potential isotherms for systems of different sizes at . The chemical potential and pressure are expressed as and , where and is the chemical potential employed during the grand canonical simulations. Full line, ; dashed line, , and dot-dashed line, . The arrow points in the direction of increasing system size.

Image of FIG. 2.
FIG. 2.

Chemical potential vs density isotherms for systems of different sizes at . The chemical potential is measured relative to the coexistence chemical potential. The full lines are simulation results, the dashed lines are results from the many-state model, and the dot-dashed line is the mean-field parametric equation of state. The inset shows the inverse susceptibility for the two smallest system sizes. Units are arbitrary and results have been shifted vertically for clarity. The system sizes studied are , , , and . The arrows point in the direction of increasing system size.

Image of FIG. 3.
FIG. 3.

A series of snapshots at and , corresponding to states of increasing density.

Image of FIG. 4.
FIG. 4.

Chemical potential vs density isotherms for systems of different sizes at . The chemical potential is measured relative to the coexistence chemical potential. The full lines are simulation results, the dashed lines are results from the two-state model, and the dot-dashed line is the mean-field parametric equation of state. The system sizes studied are , , , and . The arrows point in the direction of decreasing system size. The inset shows the size of those domains that are stable at the given density in the system. , , and denote the radii and the width of spherical (full lines), cylindrical (dashed lines), and tetragonal (dot-dashed lines) domains, respectively.

Image of FIG. 5.
FIG. 5.

Chemical potential vs density isotherms for systems of different sizes at . The chemical potential is measured relative to the coexistence chemical potential. The full lines are simulation results, the dashed lines are results from the many-state model, and the dot-dashed line is the mean-field parametric equation of state. The system sizes studied are , , and . The arrows point in the direction of decreasing system size.

Image of FIG. 6.
FIG. 6.

Temperature dependence of some relevant volume dimensions. The empty symbols refer to the characteristic volume of spherical domain formation, (left ordinate axis). The full symbols refer to “spinodal” volumes, , as explained in the text. The circles refer to the condensation transition and the squares to the cavitation transition. is calculated using MBWR equation of state data, together with interpolated surface tensions as obtained from simulation. is calculated using Eq. (15), with coexistence and spinodal points as determined from the MBWR equation of state.

Image of FIG. 7.
FIG. 7.

A series of isotherms obtained for system size and different temperatures. The density is shifted by an amount and then normalized by . The chemical potential is expressed relative to the coexistence chemical potential and then normalized by , with , the (vapor) mean-field spinodal point as determined by the MBWR equation of state. The arrows point in the direction of increasing temperature.

Image of FIG. 8.
FIG. 8.

Chemical potential vs density isotherms for large system sizes as predicted by the MSCD model. The isotherms were calculated for and several system sizes up to . Because of numerical reasons, the calculations for the liquid side and large system sizes become difficult. For this reason, we have calculated the isotherms on the vapor side only. The full loop was obtained assuming the antisymmetric property of the chemical potential. The arrows point in the direction of decreasing system size.

Tables

Generic image for table
Table I.

Table showing the different possible stable states that can be found as a function of system size (hom, homogeneous state; sph, spherical bubble state; cyl, cylindrical bubble state; slb, slablike state). The first column indicates the range of volumes where each sequence of transitions may be observed, and the third column illustrates the actual sequence observed in that range. Assuming bubble formation, the arrows indicate decreasing system density. Note that the crossover from one regime to the other occurs for volumes actually several orders of magnitude larger than , as explicitly indicated in the second column.

Generic image for table
Table II.

Coexistence chemical potentials as obtained from the equal area rule and the pressure-chemical potential intercept for the different system sizes and temperatures considered in this work. First column: system size; second column: temperature; third column: coexistence chemical potential from equal area rule; fourth column: coexistence chemical potential from pressure-chemical potential intercept.

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/content/aip/journal/jcp/125/3/10.1063/1.2218845
2006-07-19
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Nucleation and cavitation of spherical, cylindrical, and slablike droplets and bubbles in small systems
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/3/10.1063/1.2218845
10.1063/1.2218845
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