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- Gernot J. Pauschenwein, Gerhard Kahl
- The Journal of chemical physics
- 2008

Particles that interact via a square-shoulder potential, consisting of an impenetrable hard core with an adjacent, repulsive, steplike corona, are able to self-organize in a surprisingly rich variety of rather unconventional ordered, three-dimensional structures. Using optimization strategies that are based on ideas of genetic algorithms, we encounter, as… (More)

We give evidence that particles interacting via the simple, radially symmetric square-shoulder potential can self-organise in highly complex, low-symmetry lattices, thereby forming clusters, columns, or lamellae; only at high pressure are compact, high-symmetry structures observed. Our search for these ordered equilibrium structures is based on ideas of… (More)

- Gernot J. Pauschenwein, Jean-Michel Caillol, Dominique Lévesque, Jean-Jacques Weis, Elisabeth Schöll-Paschinger, Gerhard Kahl
- The Journal of chemical physics
- 2007

We have considered a system where the interaction, v(r)=v(IS)(r)+xi(2)v(MF)(r), is given as a linear combination of two potentials, each of which being characterized with a well-defined critical behavior: for v(IS)(r) we have chosen the potential of the restricted primitive model which is known to belong to the three-dimensional Ising universality class,… (More)

- Gernot J. Pauschenwein, Gerhard Kahl
- Journal of physics. Condensed matter : an…
- 2009

The hard core Yukawa system, consisting of particles with an impenetrable core and interacting via a repulsive Yukawa pair potential, is known to solidify either in a bcc or fcc crystal. Using optimization strategies based on genetic algorithms we give evidence that at zero temperature an additional centred tetragonal phase structure in the range of high… (More)

A general parametrization for all three-dimensional crystal lattices is presented in this paper which guarantees that the three primitive vectors constructed by the parametrization are the three shortest possible, linearly independent lattice vectors existing in the whole lattice. The parameter space of this so-called minimum distance parametrization (MDP)… (More)

Depending on the pair interactions of the constitutive system particles, colloidal dispersions display a rich phase behaviour. An important class of colloidal systems is characterised by pair potentials that contain a hard core in addition to versatile potential tails. This class of systems are investigated in the present thesis, focussing on two different… (More)

- Andrej Košmrlj, Gernot J. Pauschenwein, Gerhard Kahl, Primož Ziherl
- The journal of physical chemistry. B
- 2011

We introduce a continuum description of the thermodynamics of colloids with a core-corona architecture. In the case of thick coronas, their overlap can be treated approximately by replacing the exact one-particle density distribution by a suitably shaped step profile, which provides a convenient way of modeling the spherical, columnar, lamellar, and… (More)

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