Related papers: Stacking Entropy of Hard Sphere Crystals
We show that hard spheres confined between two parallel hard plates pack denser with periodic adaptive prismatic structures which are composed of alternating prisms of spheres. The internal structure of the prisms adapts to the slit height…
A novel kind of crystal order in high-density nanoconfined bilayer ice is proposed from molecular dynamics and density-functional theory simulations. A first-order transition is observed between a low-temperature proton-ordered solid and a…
There exists a variety of theories of the glass transition and many more numerical models. But because the models need built-in complexity to prevent crystallization, comparisons with theory can be difficult. We study the dynamics of a…
We consider a system of spherical particles interacting by means of a pair potential equal to a finite constant for interparticle distances smaller than the sphere diameter and zero outside. The model may be a prototype for the interaction…
Hard-sphere fluids confined between parallel plates a distance $D$ apart are studied for a wide range of packing fractions, including also the onset of crystallization, applying Monte Carlo simulation techniques and density functional…
We show that the optimal packing of hard spheres in an infinitely long cylinder yields structures characterised by a screw symmetry. Each packing can be assembled by stacking a basic unit cell ad infinitum along the length of the cylinder…
Colloidal crystal structures with complexity and diversity rivaling atomic and molecular crystals have been predicted and obtained for hard particles by entropy maximization. However, so far homochiral colloidal crystals, which are…
Liquids relax extremely slowly upon approaching the glass state. One explanation is that an entropy crisis, due to the rarefaction of available states, makes it increasingly arduous to reach equilibrium in that regime. Validating this…
Molecular dynamics simulations are performed to study the [100] and [111] orientations of the crystal-melt interface between an ordered two-component hard sphere with a NaCl structure and its coexisting binary hard-sphere fluid. The…
In quantum spin chains at criticality, two types of scaling for the entanglement entropy exist: one comes from conformal field theory (CFT), and the other is for entanglement support of matrix product state (MPS) approximation. They…
We use discontinuous molecular dynamics and grand-canonical transition-matrix Monte Carlo simulations to explore how confinement between parallel hard walls modifies the relationships between packing fraction, self-diffusivity, partial…
We numerically calculate the configurational entropy S_conf of a binary mixture of hard spheres, by using a perturbed Hamiltonian method trapping the system inside a given state, which requires less assumptions than the previous methods…
Using molecular dynamics simulations, we investigate the crystallization pathways of two exemplary systems that form the same complex crystal structure but differ fundamentally in the nature of their particle interactions. One system is…
Hard spheres with an attraction of range a tenth to a hundredth of the sphere diameter are constrained to remain fluid even at densities when monodisperse particles at equilibrium would have crystallised, in order to compare with…
We perform extensive Monte Carlo simulations of binary hard-sphere mixtures (with diameter ratios of 5 and 10), to determine the entropic force between (1) a macrosphere and a hard wall, and (2) a pair of macrospheres. The microsphere…
The average distance of the equal hard spheres is introduced to evaluate the density of a given arrangement. The absolute smallest value is two radii because the spheres can not be closer to each other than their diameter. The absolute…
When phospholipids crystallize within the otherwise fluid membranes of giant unilamellar vesicles, the resulting molecularly-thin "2D" solids exhibit great variety in their morphology evolution. For instance within membranes containing…
We propose a physical mechanism to explain the crystal symmetries found in macromolecular and supramolecular micellar materials. We argue that the packing entropy of the hard micellar cores is frustrated by the entropic interaction of their…
Colloids are rarely perfectly uniform but follow a distribution of sizes, shapes, and charges. This dispersity can be inherent (static) or develop and change over time (dynamic). Despite a long history of research, the conditions under…
Particle systems interacting with a soft repulsion, at thermal equilibrium and under some circumstances, are known to form cluster crystals, i.e. periodic arrangements of particle aggregates. We study here how these states are modified by…