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The effect of attractions on the local structure of liquids and colloidal fluids
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10.1063/1.3516210
/content/aip/journal/jcp/133/24/10.1063/1.3516210
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/24/10.1063/1.3516210

Figures

Image of FIG. 1.
FIG. 1.

Clusters found in bulk systems using the topological cluster classification. For m ⩽ 7, where m is the number of particles in a cluster, all studied ranges of the Morse potential Eq. (3) form clusters of identical topology. In the case of larger m the cluster topology depends on the interaction range. Here we follow the nomenclature of Doye et al. (Ref. 14) where A corresponds to long-ranged potentials and B… to minimum energy clusters of shorter-ranged potentials.

Image of FIG. 2.
FIG. 2.

Interaction potentials used. (a) Long-ranged potentials: Morse (dark green) and truncated Morse (bright green) with range parameter . (b) Lennard-Jones (red) and WCA (pink). (c) Short-ranged potentials: Morse (blue) and truncated Morse (turquoise) with range parameter . Dashed cyan line in (c) denotes the hard sphere interaction. denotes the effective hard sphere diameter as defined in Eq. (7) and listed in Table I.

Image of FIG. 3.
FIG. 3.

Pair-correlation functions. (a) Long-ranged potentials: Morse with (dark green, dashed) and without (bright green) attractions. Here . (b) Lennard-Jones (red, dashed) and WCA (pink) for a well depth of (the triple point).

Image of FIG. 4.
FIG. 4.

Population of particles in a given cluster. is the number of particles in a given cluster, N the total number of particles sampled. Here we consider only ground state clusters for each system. (a) Morse () (dark green) and truncated Morse (bright green). (b) Lennard-Jones at the triple point (red) and corresponding WCA (pink). Note the semilog scale.

Image of FIG. 5.
FIG. 5.

Ratio of cluster populations in systems mapped to the Lennard-Jones triple point. (a) Morse and truncated Morse (). (b) Lennard-Jones and WCA. These plot the same data as Fig. 4 expressed to emphasize the difference between the systems.

Image of FIG. 6.
FIG. 6.

Population of particles in a given cluster at parameters mapped to the Lennard-Jones triple point. is the number of particles in a given cluster, N the total number of particles sampled. Here we consider ground state clusters for all ranges of the Morse potential (Ref. 14). Colors are Lennard-Jones (red), corresponding WCA (pink), Morse () (bright green) and truncated Morse (dark green). Those clusters which are ground states are labeled as ‘both’ when both potentials share the same ground state, and ‘LJ’ and ‘M’ corresponding to the Lennard-Jones and Morse cases accordingly. Note the semilog scale.

Image of FIG. 7.
FIG. 7.

Pair-correlation functions. (a) Long-ranged potentials: Lennard-Jones (red) and WCA (pink) for a well depth of . (b) Short-ranged potentials: Morse (blue) and repulsive Morse (turquoise) according to Eq. (4). Here the well depth . Cyan denotes the Hard Sphere interaction.

Image of FIG. 8.
FIG. 8.

Population of particles in a given ground state cluster. is the number of particles in a given cluster, N the total number of particles sampled. (a) Lennard-Jones with (red) and corresponding WCA (pink). (b) Morse () (turquoise) truncated Morse (light blue) and hard sphere (dark blue). Note the semilog scale.

Image of FIG. 9.
FIG. 9.

Ratio of cluster populations in high temperature systems. (a) Lennard-Jones and WCA. (b) Truncated Morse and Morse. This plot has the same data as in Fig. 8 expressed to emphasize the difference between the two systems. Note that in (b) we invert the ratio to consider the truncated Morse divided by the attractive Morse potential and plot on a different scale.

Image of FIG. 10.
FIG. 10.

Population of particles in a given cluster, at parameters mapped to the Morse potential (, ). is the number of particles in a given cluster, N the total number of particles sampled. Here we consider ground state clusters for all ranges of the Morse potential (Ref. 14). Colors are Lennard-Jones (red), corresponding WCA (pink), Morse () (turquoise) truncated Morse (light blue) and hard sphere (dark blue). Those clusters which are ground states are labeled as ‘both’ when both potentials share the same ground state, and ‘LJ’ and ‘M’ corresponding to the Lennard-Jones and Morse cases respectively. Note the semilog scale.

Tables

Generic image for table
Table I.

State points studied. LJ high temp. and triple correspond to the two temperatures at which Lennard-Jones and WCA simulations were carried out. Trunc. Morse denotes the truncated Morse interaction [Eq. (4)].

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/content/aip/journal/jcp/133/24/10.1063/1.3516210
2010-12-28
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The effect of attractions on the local structure of liquids and colloidal fluids
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/24/10.1063/1.3516210
10.1063/1.3516210
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