Related papers: Spheroid Model for Molecular Packing in Crystallin…
Multi-technique high resolution X-ray mapping enhanced by the recent advent of 4th generation synchrotron facilities can produce colossal datasets, challenging traditional analysis methods. Such difficulty is clearly materialized when…
We develop a simple coarse-grained bead-spring polymer model exhibiting competing crystallization and glass transitions. For quench rates slower than the critical nucleation rate $|\dot{T}|_{crit}$, systems exhibit a first-order…
Elastic properties and internal states of isotropic sphere packings are studied by numerical simulations. Several numerical protocols to assemble dense configurations are compared. One, which imitates experiments with lubricated contacts,…
A study of the shape transition from spherical to axially deformed nuclei in the even Ce isotopes using the nucleon-pair approximation of the shell model is reported. As long as the structure of the dominant collective pairs is determined…
Inhomogeneous cosmological models are able to fit cosmological observations without dark energy under the assumption that we live close to the "center" of a very large-scale under-dense region. Most studies fitting observations by means of…
Macroscopic models of nucleation provide powerful tools for understanding activated phase transition processes. These models do not provide atomistic insights and can thus sometime lack material-specific descriptions. Here we provide a…
Anisotropic decompositions using representation systems based on parabolic scaling such as curvelets or shearlets have recently attracted significantly increased attention due to the fact that they were shown to provide optimally sparse…
We revisit the densest binary sphere packings (DBSP) under the periodic boundary conditions and present an updated phase diagram, including newly found 12 putative densest structures over the $x - \alpha$ plane, where $x$ is the relative…
Various substances in the liquid state tend to form droplets. In this paper the shape of such droplets is investigated within the spherical model of a lattice gas. We show that in this case the droplet boundary is always diffusive, as…
Many structural materials (metal alloys, polymers, minerals, etc.) are formed by quenching liquids into crystalline solids. This highly non-equilibrium process often leads to polycrystalline growth patterns that are broadly termed…
Spherically-symmetric atom-centered descriptors of atomic environments have been widely used for constructing potential or free energy surfaces of atomistic and colloidal systems and to characterize local structures using machine learning…
We have performed particle-resolved direct numerical simulations of many heavy non-spherical particles settling under gravity in the dilute regime. The particles are oblate spheroids of aspect ratio 1.5 and density ratio 1.5. Two Galileo…
All hard, convex shapes are conjectured by Ulam to pack more densely than spheres, which have a maximum packing fraction of {\phi} = {\pi}/\sqrt18 ~ 0.7405. For many shapes, simple lattice packings easily surpass this packing fraction. For…
The polarization matrix ($2\times2$) obtained from two component eigen-spinors of spherical harmonics help us to evaluate the differential matrix $N$ of the anisotropic optical medium. The geometric phase is realized through {\it helicity}…
We develop a model for the reflection and transmission of plane waves by an isotropic layer sandwiched between two uniaxial crystals of arbitrary orientation. In the laboratory frame, reflection and transmission coefficients corresponding…
In this work we examine thermodynamics of fluid with "molecules" represented by two fused hard spheres, decorated by the attractive square-well sites. Interactions between these sites are of short-range and cause association between the…
An increasing variety of crystal structures has been observed in soft condensed matter over the past two decades, surpassing most expectations for the diversity of arrangements accessible through classical driving forces. Here, we survey…
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…
The study of protein mass transport via atomistic simulation requires time and length scales beyond the computational capabilities of modern computer systems. The raspberry model for colloidal particles in combination with the mesoscopic…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…