12,649 research outputs found
Minkowski Tensors of Anisotropic Spatial Structure
This article describes the theoretical foundation of and explicit algorithms
for a novel approach to morphology and anisotropy analysis of complex spatial
structure using tensor-valued Minkowski functionals, the so-called Minkowski
tensors. Minkowski tensors are generalisations of the well-known scalar
Minkowski functionals and are explicitly sensitive to anisotropic aspects of
morphology, relevant for example for elastic moduli or permeability of
microstructured materials. Here we derive explicit linear-time algorithms to
compute these tensorial measures for three-dimensional shapes. These apply to
representations of any object that can be represented by a triangulation of its
bounding surface; their application is illustrated for the polyhedral Voronoi
cellular complexes of jammed sphere configurations, and for triangulations of a
biopolymer fibre network obtained by confocal microscopy. The article further
bridges the substantial notational and conceptual gap between the different but
equivalent approaches to scalar or tensorial Minkowski functionals in
mathematics and in physics, hence making the mathematical measure theoretic
method more readily accessible for future application in the physical sciences
Morphological Thermodynamics of Fluids: Shape Dependence of Free Energies
We examine the dependence of a thermodynamic potential of a fluid on the
geometry of its container. If motion invariance, continuity, and additivity of
the potential are fulfilled, only four morphometric measures are needed to
describe fully the influence of an arbitrarily shaped container on the fluid.
These three constraints can be understood as a more precise definition for the
conventional term "extensive" and have as a consequence that the surface
tension and other thermodynamic quantities contain, beside a constant term,
only contributions linear in the mean and Gaussian curvature of the container
and not an infinite number of curvatures as generally assumed before. We verify
this numerically in the entropic system of hard spheres bounded by a curved
wall.Comment: 4 pages, 3 figures, accepted for publication in PR
Local Anisotropy of Fluids using Minkowski Tensors
Statistics of the free volume available to individual particles have
previously been studied for simple and complex fluids, granular matter,
amorphous solids, and structural glasses. Minkowski tensors provide a set of
shape measures that are based on strong mathematical theorems and easily
computed for polygonal and polyhedral bodies such as free volume cells (Voronoi
cells). They characterize the local structure beyond the two-point correlation
function and are suitable to define indices of
local anisotropy. Here, we analyze the statistics of Minkowski tensors for
configurations of simple liquid models, including the ideal gas (Poisson point
process), the hard disks and hard spheres ensemble, and the Lennard-Jones
fluid. We show that Minkowski tensors provide a robust characterization of
local anisotropy, which ranges from for vapor
phases to for ordered solids. We find that for fluids,
local anisotropy decreases monotonously with increasing free volume and
randomness of particle positions. Furthermore, the local anisotropy indices
are sensitive to structural transitions in these simple
fluids, as has been previously shown in granular systems for the transition
from loose to jammed bead packs
Virus shapes and buckling transitions in spherical shells
We show that the icosahedral packings of protein capsomeres proposed by
Caspar and Klug for spherical viruses become unstable to faceting for
sufficiently large virus size, in analogy with the buckling instability of
disclinations in two-dimensional crystals. Our model, based on the nonlinear
physics of thin elastic shells, produces excellent one parameter fits in real
space to the full three-dimensional shape of large spherical viruses. The
faceted shape depends only on the dimensionless Foppl-von Karman number
\gamma=YR^2/\kappa, where Y is the two-dimensional Young's modulus of the
protein shell, \kappa is its bending rigidity and R is the mean virus radius.
The shape can be parameterized more quantitatively in terms of a spherical
harmonic expansion. We also investigate elastic shell theory for extremely
large \gamma, 10^3 < \gamma < 10^8, and find results applicable to icosahedral
shapes of large vesicles studied with freeze fracture and electron microscopy.Comment: 11 pages, 12 figure
Supramolecular modification of ABC triblock terpolymers in confinement assembly
The self-assembly of AB diblock copolymers in three-dimensional (3D) soft confinement of nanoemulsions has recently become an attractive bottom up route to prepare colloids with controlled inner morphologies. In that regard, ABC triblock terpolymers show a more complex morphological behavior and could thus give access to extensive libraries of multicompartment microparticles. However, knowledge about their self-assembly in confinement is very limited thus far. Here, we investigated the confinement assembly of polystyrene-block-poly(4-vinylpyridine)-block-poly(tert-butyl methacrylate) (PS-b-P4VP-b-PT or SVT) triblock terpolymers in nanoemulsion droplets. Depending on the block weight fractions, we found spherical microparticles with concentric lamella–sphere (ls) morphology, i.e., PS/PT lamella intercalated with P4VP spheres, or unusual conic microparticles with concentric lamella–cylinder (lc) morphology. We further described how these morphologies can be modified through supramolecular additives, such as hydrogen bond (HB) and halogen bond (XB) donors. We bound donors to the 4VP units and analyzed changes in the morphology depending on the binding strength and the length of the alkyl tail. The interaction with the weaker donors resulted in an increase in volume of the P4VP domains, which depends upon the molar fraction of the added donor. For donors with a high tendency of intermolecular packing, a visible change in the morphology was observed. This ultimately caused a shape change in the microparticle. Knowledge about how to control inner morphologies of multicompartment microparticles could lead to novel carbon supports for catalysis, nanoparticles with unprecedented topologies, and potentially, reversible shape changes by light actuation
Compaction of Quasi One-Dimensional Elastoplastic Materials
Insight in the crumpling or compaction of one-dimensional objects is of great
importance for understanding biopolymer packaging and designing innovative
technological devices. By compacting various types of wires in rigid
confinements and characterizing the morphology of the resulting crumpled
structures, here we report how friction, plasticity, and torsion enhance
disorder, leading to a transition from coiled to folded morphologies. In the
latter case, where folding dominates the crumpling process, we find that
reducing the relative wire thickness counter-intuitively causes the maximum
packing density to decrease. The segment-size distribution gradually becomes
more asymmetric during compaction, reflecting an increase of spatial
correlations. We introduce a self-avoiding random walk model and verify that
the cumulative injected wire length follows a universal dependence on segment
size, allowing for the prediction of the efficiency of compaction as a function
of material properties, container size, and injection force.Comment: 7 pages, 6 figure
Finite Element Simulation of Dense Wire Packings
A finite element program is presented to simulate the process of packing and
coiling elastic wires in two- and three-dimensional confining cavities. The
wire is represented by third order beam elements and embedded into a
corotational formulation to capture the geometric nonlinearity resulting from
large rotations and deformations. The hyperbolic equations of motion are
integrated in time using two different integration methods from the Newmark
family: an implicit iterative Newton-Raphson line search solver, and an
explicit predictor-corrector scheme, both with adaptive time stepping. These
two approaches reveal fundamentally different suitability for the problem of
strongly self-interacting bodies found in densely packed cavities. Generalizing
the spherical confinement symmetry investigated in recent studies, the packing
of a wire in hard ellipsoidal cavities is simulated in the frictionless elastic
limit. Evidence is given that packings in oblate spheroids and scalene
ellipsoids are energetically preferred to spheres.Comment: 17 pages, 7 figures, 1 tabl
Orientation and symmetry control of inverse sphere magnetic nanoarrays by guided self-assembly
Inverse sphere shaped Ni arrays were fabricated by electrodeposition on Si through the guided self-assembly of polystyrene latex spheres in Si/SiO2 patterns. It is shown that the size commensurability of the etched tracks is critical for the long range ordering of the spheres. Moreover, noncommensurate guiding results in the reproducible periodic triangular distortion of the close packed self-assembly. Magnetoresistance measurements on the Ni arrays were performed showing room temperature anisotropic magnetoresistance of 0.85%. These results are promising for self-assembled patterned storage media and magnetoresistance devices
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