Related papers: Divining the Shape of Nascent Polymer Crystal Nucl…
We point out an inconsistency in the theoretical treatment of Bosetti and collaborators (Crystal Growth & Design, 2021, 22.1: 87-97), and then proceed to prove that for monomers interacting by two-body potentials, the presence of an…
Structures of light unstable nuclei, Li, Be, B, and C isotopes are systematically studied with a microscopic method of antisymmetrized molecular dynamics. The theoretical method is found to be very useful to study ground and excited states…
Molecular packing, crystallinity, and texture of semiconducting polymers are often critical to performance. Although frame-works exist to quantify the ordering, interpretations are often just qualitative, resulting in imprecise and liberal…
According to classical nucleation theory, a crystal grows from a small nucleus that already bears the symmetry of its end phase - but experiments with colloids now reveal that, from an amorphous precursor, crystallites with different…
Most substances can crystallise into two or more different crystal lattices, called polymorphs. Despite this, there are no systems in which we can quantitatively predict the probability of one competing polymorph forming, instead of the…
We use machine learning algorithms to detect the crystalline phase in undercooled melts in molecular dynamics simulations. Our classification method is based on local conformation and environmental fingerprints of individual monomers. In…
Because final properties of nanoscale polymeric structures are largely determined by the solid-state microstructure of the confined polymer, it is imperative not only to understand how the microstructure of polymers develops under nanoscale…
We study the phase behaviour of a quasi-two dimensional cholesteric liquid crystal shell. We characterise the topological phases arising close to the isotropic-cholesteric transition, and show that they differ in a fundamental way from…
Exact symmetry and symmetry-breaking phenomena play a key role in providing a better understanding of the physics of many-particle systems, from quarks and atomic nuclei, to molecules and galaxies. In atomic nuclei, exact and dominant…
Symmetries are so involved in crystallographic detail that it is indispensable when crystal cell or lattice is mentioned. For nanocrystals, however, many are 'systemic symmetries', meaning that the whole structures of nanocrystal particles…
The statistical theory of polymers tethered around the inner surface of a cylindrical channel has traditionally employed the assumption that the equilibrium density of the polymers is independent of the azimuthal coordinate. However,…
Entropy alone can self-assemble hard particles into colloidal crystals of remarkable complexity whose structures are the same as atomic and molecular crystals, but with larger lattice spacings. Although particle-based molecular simulation…
Quasicrystals are frequently encountered in condensed matter. They are important candidates for equilibrium phases from the atomic scale to the nanoscale. Here, we investigate the computational self-assembly of four quasicrystals in a…
Liquid crystals are synthetic and biological viscoelastic anisotropic soft matter materials that combine liquid fluidity with crystal anisotropy and find use in optical devices, sensor/actuators, lubrication, super-fibers. Frequently…
Packing problems have been a source of fascination for millenia and their study has produced a rich literature that spans numerous disciplines. Investigations of hard-particle packing models have provided basic insights into the structure…
Neutron stars are the densest objects in the Universe. In this paper we consider so-called inner crust - the layer, where neutron-excess nuclei are immersed into degenerate gas of electrons and sea of quasi-free neutrons. It was generally…
Quantum states naturally represent symmetry groups, though often in a projective sense. Intriguingly, the projective nature of crystalline symmetries has remained underexplored until very recently. A series of groundbreaking theoretical and…
Growth and structures of crystals in the model of Al obtained in results of isothermal annealing after quick cooling to certain temperatures are studied by the method of molecular dynamics applying the known potential of EAM type. The…
The effects of a (non co-crystallizing) nucleating agent on secondary nucleation rate and final lamellar thickness in isothermally melt-crystallizing polyethylene oxide are considered. SAXS reveals that lamellae formed in nucleated samples…
Dislocation nucleation in homogeneous crystals initially unfolds as a linear symmetry-breaking elastic instability. In the absence of explicit nucleation centers, such instability develops simultaneously all over the crystal and due to the…