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Register a new userThe excluded area of two-dimensional hard particles
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Added by
Daniel de las Heras
Publication date
2019
fields
Physics
and research's language is
English
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The excluded area between a pair of two-dimensional hard particles with given relative orientation is the region in which one particle cannot be located due to the presence of the other particle. The magnitude of the excluded area as a function of the relative particle orientation plays a major role in the determination of the bulk phase behaviour of hard particles. We use principal component analysis to identify the different types of excluded area corresponding to randomly generated two-dimensional hard particles modeled as non-self-intersecting polygons and star lines (line segments radiating from a common origin). Only three principal components are required to have an excellent representation of the value of the excluded area as a function of the relative particle orientation. Independently of the particle shape, the minimum value of the excluded area is always achieved when the particles are antiparallel to each other. The property that affects the value of the excluded area most strongly is the elongation of the particle shape. Principal component analysis identifies four limiting cases of excluded areas with one to four global minima at equispaced relative orientations. We study selected particle shapes using Monte Carlo simulations.
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Experiments of the recrystallization processes in two-dimensional complex plasmas are analyzed in order to rigorously test a recently developed scale-free phase transition theory. The Fractal-Domain-Structure (FDS) theory is based on the kinetic theory of Frenkel. It assumes the formation of homogeneous domains, separated by defect lines, during crystallization and a fractal relationship between domain area and boundary length. For the defect number fraction and system energy a scale free power-law relation is predicted. The long range scaling behavior of the bond order correlation function shows clearly that the complex plasma phase transitions are not of KTHNY type. Previous preliminary results obtained by counting the number of dislocations and applying a bond order metric for structural analysis are reproduced. These findings are supplemented by extending the use of the bond order metric to measure the defect number fraction and furthermore applying state-of-the-art analysis methods, allowing a systematic testing of the FDS theory with unprecedented scrutiny: A morphological analysis of lattice structure is performed via Minkowski tensor methods. Minkowski tensors form a complete family of additive, motion covariant and continuous morphological measures that are sensitive to non-linear properties. The FDS theory is rigorously confirmed and predictions of the theory are reproduced extremely well. The predicted scale-free power law relation between defect fraction number and system energy is verified for one more order of magnitude at high energies compared to the inherently discontinuous bond order metric. Minkowski Tensor analysis turns out to be a powerful tool for investigations of crystallization processes. It is capable to reveal non-linear local topological properties, however, still provides easily interpretable results founded on a solid mathematical framework.
It is known that line optical tweezers (LOT) can measure potential of mean force (PMF) between colloidal particles in the bulk. However, PMF obtained with LOT is empirically modified before showing the result of the final form in order to correct the potential rise at long distances. In the present letter, we derive theoretical correction methods for acquisition of PMF by using statistical mechanics. Using the new methods, PMF can be obtained without the empirical fitting equation. Through the new methods, external potential acting on the trapped two colloidal particles induced by LOT can also be obtained. As an additional study, we explain two methods for obtaining PMF between colloidal particles on a substrate surface, in which a normal single optical tweezers with a fixed focal point is used, and for obtaining PMF between colloidal particles trapped by dual-beam optical tweezers in the bulk. These methods can also obtain the external potential acting on the trapped two colloidal particles.
The orientational dynamics of inertialess anisotropic particles transported by two-dimensional convective turbulent flows display a coexistence of regular and chaotic features. We numerically demonstrate that very elongated particles (rods) align preferentially with the direction of the fluid flow, i.e., horizontally close to the isothermal walls and dominantly vertically in the bulk. This behaviour is due to the the presence of a persistent large scale circulation flow structure, which induces strong shear at wall boundaries and in up/down-welling regions. The near-wall horizontal alignment of rods persists at increasing the Rayleigh number, while the vertical orientation in the bulk is progressively weakened by the corresponding increase of turbulence intensity. Furthermore, we show that very elongated particles are nearly orthogonal to the orientation of the temperature gradient, an alignment independent of the system dimensionality and which becomes exact only in the limit of infinite Prandtl number. Tumbling rates are extremely vigorous adjacent to the walls, where particles roughly perform Jeffery orbits. This implies that the root-mean-square near-wall tumbling rates for spheres are much stronger than for rods, up to $mathcal{O}(10)$ times at $Rasimeq 10^9$. In the turbulent bulk the situation reverses and rods tumble slightly faster than isotropic particles, in agreement with earlier observations in two-dimensional turbulence.
We use numerical simulations to study the crystallization of monodisperse systems of hard aspherical particles. We find that particle shape and crystallizability can be easily related to each other when particles are characterized in terms of two simple and experimentally accessible order parameters: one based on the particle surface-to-volume ratio, and the other on the angular distribution of the perturbations away from the ideal spherical shape. We present a phase diagram obtained by exploring the crystallizability of 487 different particle shapes across the two-order-parameter spectrum. Finally, we consider the physical properties of the crystalline structures accessible to aspherical particles, and discuss limits and relevance of our results.
We perform numerical simulations of purely repulsive soft colloidal particles interacting via a generalized elastic potential and constrained to a two-dimensional plane and to the surface of a spherical shell. For the planar case, we compute the phase diagram in terms of the systems rescaled density and temperature. We find that a large number of ordered phases becomes accessible at low temperatures as the density of the system increases, and we study systematically how structural variety depends on the functional shape of the pair potential. For the spherical case, we revisit the generalized Thomson problem for small numbers of particles N <= 12 and identify, enumerate and compare the minimal energy polyhedra established by the location of the particles to those of the corresponding electrostatic system.
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