Thermodynamic signatures and cluster properties of self-assembly in systems with competing interactions

Santos, Andrew Pablo; Pȩkalski, J.; Panagiotopoulos, Athanassios Z.

doi:10.1039/c7sm01721a

Cited by 38 publications

(47 citation statements)

References 64 publications

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“…In systems with competing interactions the formation of clusters plays an important role in general [26,32,33] as well as in adsorption phenomena as it was demonstrated for a 3D off-lattice system [27]. Thus, the analysis of possible clusters and their distribution in the near wall region can give an additional insight into characterization of the adsorption in our 2D lattice system.…”

Section: Cluster Formationmentioning

confidence: 64%

Adsorption anomalies in a two-dimensional model of cluster-forming systems

et al. 2020

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Adsorption on a boundary line confining a monolayer of particles self-assembling into clusters is studied by MC simulations. We focus on a system of particles interacting via competing interaction potential in which effectively short-range attraction is followed by long-range repulsion, mimicking the so called SALR system. For the chemical potential values below the order-disorder phase transition the adsorption isotherms were shown to undergo non-standard behavior, i. e. the adsorption exhibits a maximum upon structural transition between structureless and disordered cluster fluid. In particular, we have found that the adsorption decreases for increasing chemical potential when (i) clusters dominate over monomers in the bulk, (ii) the density profile in the direction perpendicular to the confining line exhibits an oscillatory decay, (iii) the correlation function in the layer near the adsorption wall exhibits an oscillatory decay in the direction parallel to this wall. Our report indicates striking differences between simple and complex fluid adsorption processes.

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Section: Cluster Formationmentioning

confidence: 64%

Adsorption anomalies in a two-dimensional model of cluster-forming systems

et al. 2020

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“…The main result of this work is the "user-friendly" expression for the grand-potential [5,19,20,36], and in the cartoon in Fig.2b. Thus, in the most probable microstates the distribution of the particles is significantly different from the position-independent average volume fraction.…”

Section: Discussion and Summarymentioning

confidence: 98%

Combined density functional and Brazovskii theories for systems with spontaneous inhomogeneities

Ciach

2018

Soft Matter

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The low-T part of the phase diagram in self-assembling systems is correctly predicted by known versions of density functional theory (DFT). The high-T part obtained in DFT, however, does not agree with simulations even on the qualitative level. In this work, a new version of DFT for systems with spontaneous inhomogeneities on a mesoscopic length scale is developed. The contribution to the grand thermodynamic potential associated with mesoscopic fluctuations is explicitly taken into account. The expression for this contribution is obtained by methods known from the Brazovskii field theory. Apart from developing the approximate expression for the grand thermodynamic potential that contains the fluctuation contribution and is ready for numerical minimization, we develop a simplified version of the theory valid for weakly ordered phases, i.e. for the high-T part of the phase diagram. The simplified theory is verified by comparison with the results of simulations for a particular version of the short-range attraction long-range repulsion (SALR) interaction potential. Except for the fact that in our theory the ordered phases are stable at lower T than in simulations, a good agreement for the high-T part of the phase diagram is obtained for the range of density that was considered in simulations. In addition, the equation of state and compressibility isotherms are presented. Finally, the physical interpretation of the fluctuation-contribution to the grand potential is discussed in detail.

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“…The same form of the SALR potential was previously studied in Refs. [54][55][56][57][58]. The potential has a local minimum for r = 1.141σ, then it crosses zero at r0 = 1.412σ and it has a local maximum for r = 1.886σ.…”

Section: A Modelmentioning

confidence: 99%

Orientational ordering of lamellar structures on closed surfaces

Pȩkalski

Ciach

2018

The Journal of Chemical Physics

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Self-assembly of particles with short-range attraction and long-range repulsion interactions on a flat and on a spherical surface is compared. Molecular dynamics simulations are performed for the two systems having the same area and the density optimal for formation of stripes of particles. Structural characteristics, e.g., a cluster size distribution, a number of defects, and an orientational order parameter (OP), as well as the specific heat, are obtained for a range of temperatures. In both cases, the cluster size distribution becomes bimodal and elongated clusters appear at the temperature corresponding to the maximum of the specific heat. When the temperature decreases, orientational ordering of the stripes takes place and the number of particles per cluster or stripe increases in both cases. However, only on the flat surface, the specific heat has another maximum at the temperature corresponding to a rapid change of the OP. On the sphere, the crossover between the isotropic and anisotropic structures occur in a much broader temperature interval; the orientational order is weaker and occurs at significantly lower temperature. At low temperature, the stripes on the sphere form spirals and the defects resemble defects in the nematic phase of rods adsorbed at a sphere.

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Thermodynamic signatures and cluster properties of self-assembly in systems with competing interactions

Cited by 38 publications

References 64 publications

Adsorption anomalies in a two-dimensional model of cluster-forming systems

Adsorption anomalies in a two-dimensional model of cluster-forming systems

Combined density functional and Brazovskii theories for systems with spontaneous inhomogeneities

Orientational ordering of lamellar structures on closed surfaces

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