Locally preferred structure in simple atomic liquids

We propose a method to determine the locally preferred structure of model liquids. This latter is obtained numerically as the global minimum of the effective energy surface of clusters formed by small numbers of particles embedded in a liquid-like environment. The effective energy is the sum of the intra-cluster interaction potential and of an external field that describes the influence of the embedding bulk liquid at a mean-field level. Doing so we minimize the surface effects present in isolated clusters without introducing the full blown geometrical frustration present in bulk condensed phases. We find that the locally preferred structure of the Lennard-Jones liquid is an icosahedron, and that the liquid-like environment only slightly reduces the relative stability of the icosahedral cluster. The influence of the boundary conditions on the nature of the ground-state configuration of Lennard-Jones clusters is also discussed.Comment: RevTeX 4, 17 pages, 6 eps figure

Asymmetric isolated skyrmions in polar magnets with easy-plane anisotropy

We introduce a new class of isolated magnetic skyrmions emerging within tilted ferromagnetic phases of polar magnets with easy-plane anisotropy. The asymmetric magnetic structure of these skyrmions is associated with an intricate pattern of the energy density, which exhibits positive and negative asymptotics with respect to the surrounding state with a ferromagnetic moment tilted away from the polar axis. Correspondingly, the skyrmion-skyrmion interaction has an anisotropic character and can be either attractive or repulsive depending on the relative orientation of the skyrmion pair. We investigate the stability of these novel asymmetric skyrmions against the elliptical cone state and follow their transformation into axisymmetric skyrmions, when the tilted ferromagnetic moment of the host phase is reduced. Our theory gives clear directions for experimental studies of isolated asymmetric skyrmions and their clusters embedded in tilted ferromagnetic phases

On the Plateau-Douglas problem for the Willmore energy of surfaces with planar boundary curves

For a smooth closed embedded planar curve $\Gamma$, we consider the minimization problem of the Willmore energy among immersed surfaces of a given genus $\mathfrak{g}\geq1$ having the curve $\Gamma$ as boundary, without any prescription on the conormal. By general lower bound estimates, in case $\Gamma$ is a circle we prove that such problem is equivalent if restricted to embedded surfaces, we prove that do not exist minimizers, and the infimum equals $\beta_\mathfrak{g}-4\pi$, where $\beta_\mathfrak{g}$ is the energy of the closed minimizing surface of genus $\mathfrak{g}$. We also prove that the same result also holds if $\Gamma$ is a straight line for the suitable analogously defined minimization problem on asymptotically flat surfaces.\\ Then we study the case in which $\Gamma$ is compact, $\mathfrak{g}=1$ and the competitors are restricted to a suitable class $\mathcal{C}$ of varifolds including embedded surfaces. We prove that under suitable assumptions minimizers exists in this class of generalized surfaces

Coarse-graining microscopic strains in a harmonic, two-dimensional solid and its implications for elasticity: non-local susceptibilities and non-affine noise

In soft matter systems the local displacement field can be accessed directly by video microscopy enabling one to compute local strain fields and hence the elastic moduli using a coarse-graining procedure. We study this process for a simple triangular lattice of particles connected by harmonic springs in two-dimensions. Coarse-graining local strains obtained from particle configurations in a Monte Carlo simulation generates non-trivial, non-local strain correlations (susceptibilities), which may be understood within a generalized, Landau type elastic Hamiltonian containing up to quartic terms in strain gradients (K. Franzrahe et al., Phys. Rev. E 78, 026106 (2008)). In order to demonstrate the versatility of the analysis of these correlations and to make our calculations directly relevant for experiments on colloidal solids, we systematically study various parameters such as the choice of statistical ensemble, presence of external pressure and boundary conditions. We show that special care needs to be taken for an accurate application of our results to actual experiments, where the analyzed area is embedded within a larger system, to which it is mechanically coupled. Apart from the smooth, affine strain fields, the coarse-graining procedure also gives rise to a noise field made up of non-affine displacements. Several properties of this noise field may be rationalized for the harmonic solid using a simple "cell model" calculation. Furthermore the scaling behavior of the probability distribution of the noise field is studied and a master curve is obtained.Comment: 16 pages, 12 figure

Easy plane baby skyrmions

The baby Skyrme model is studied with a novel choice of potential, $V=1/2 \phi_3^2$. This "easy plane" potential vanishes at the equator of the target two-sphere. Hence, in contrast to previously studied cases, the boundary value of the field breaks the residual SO(2) internal symmetry of the model. Consequently, even the unit charge skyrmion has only discrete symmetry and consists of a bound state of two half lumps. A model of long-range inter-skyrmion forces is developed wherein a unit skyrmion is pictured as a single scalar dipole inducing a massless scalar field tangential to the vacuum manifold. This model has the interesting feature that the two-skyrmion interaction energy depends only on the average orientation of the dipoles relative to the line joining them. Its qualitative predictions are confirmed by numerical simulations. Global energy minimizers of charges B=1,...,14,18,32 are found numerically. Up to charge B=6, the minimizers have 2B half lumps positioned at the vertices of a regular 2B-gon. For charges B >= 7, rectangular or distorted rectangular arrays of 2B half lumps are preferred, as close to square as possible.Comment: v3: replaced with journal version, one new reference, one deleted reference; 8 pages, 5 figures v2: fixed some typos and clarified the relationship with condensed matter systems 8 pages, 5 figure

Minimum energy configurations of the 2-dimensional HP-model of proteins by self-organizing networks

We use self-organizing maps (SOM) as an efficient tool to find the minimum energy configurations of the 2-dimensional HP-models of proteins. The usage of the SOM for the protein folding problem is similar to that for the Traveling Salesman Problem. The lattice nodes represent the cities whereas the neurons in the network represent the amino acids moving towards the closest cities, subject to the HH interactions. The valid path that maximizes the HH contacts corresponds to the minimum energy configuration of the protein. We report promising results for the cases when the protein completely fills a lattice and discuss the current problems and possible extensions. In all the test sequences up to 36 amino acids, the algorithm was able to find the global minimum and its degeneracies