Related papers: Topological characterization of crystalline ice st…
Observations have long associated ice streams with the presence of meltwater at the bed. More recently, theoretical models have been able to reproduce ice-stream behaviour as a consequence of the coupled dynamics of ice and subglacial…
Water exhibits rich polymorphism, where more than 20 crystalline phases have been experimentally reported. Five of them are metastable and form at low temperatures by either heating amorphous ice or degassing clathrate hydrates. However,…
Phases with distinct thermodynamic properties must differ in their underlying distributions of microscopic structures. While ordered phases are readily distinguished by unit cells and space groups, the local structural basis differentiating…
We investigate the large-scale structure and temporal evolution of cyclonic and anticyclonic systems in the North Atlantic using persistent homology applied to daily sea-level pressure anomalies from the ERA5 reanalysis (1950-2022). By…
Convective flows coupled with solidification or melting in water bodies play a major role in shaping geophysical landscapes. Particularly in relation to the global climate warming scenario, it is essential to be able to accurately quantify…
We propose a simple cluster-based method with application to calculations of Compton profile anisotropies of ice. The convergence of the method is checked with respect to Crystal95 results. Increasing both basis-set quality and cluster…
Starless molecular cores are natural laboratories for interstellar molecular chemistry research. The chemistry of ices in such objects was investigated with a three-phase (gas, surface, and mantle) model. We considered the center part of…
The rich variety of crystalline symmetries in solids leads to a plethora of topological crystalline insulators (TCIs) featuring distinct physical properties, which are conventionally understood in terms of bulk invariants specialized to the…
The interplay of topology and symmetry in a material's band structure may result in various patterns of topological states of different dimensionality on the boundary of a crystal. The protection of these "higher-order" boundary states…
We study the topology of the network of ionized and neutral regions that characterized the intergalactic medium during the Epoch of Reionization. Our analysis uses the formalism of persistent homology, which offers a highly intuitive and…
All liquids are topologically disordered materials; however, the degree of disorder can vary as a result of internal fluctuations in structure and topology. These fluctuations depend on both the composition and temperature of the system.…
Topological crystalline insulators (TCIs) are nontrivial quantum phases of matter protected by crystalline (and other) symmetries. They are originally predicted by band theories, so an important question is their stability under…
We use molecular dynamics to study the ordering of a nematic liquid crystal around a spherical particle or droplet. Homeotropic boundary conditions and strong anchoring create a hedgehog director configuration on the particle surface and in…
We conduct numerical experiments to investigate the spatial clustering of particles and bubbles in simulations of homogeneous and isotropic turbulence. Varying the Stokes parameter and the densities, striking differences in the clustering…
Carbon dioxide is abundant in ice mantles of dust grains; some is found in the pure crystalline form as inferred from the double peak splitting of the bending profile at about 650 cm$^{-1}$. To study how CO$_2$ segregates into the pure form…
We consider homogeneous crystallisation rates in confocal microscopy experiments on colloidal nearly hard spheres at the single particle level. These we compare with Brownian dynamics simuations by carefully modelling the softness in the…
With numerical simulations of the mW model of water, we investigate the energetic stability of crystalline clusters for both Ice I (cubic and hexagonal ice) and for the metastable Ice 0 phase as a function of the cluster size. Under a large…
It has been implicitly assumed that ices on grains in molecular clouds and proto planetary disks are formed by homogeneous layers regardless of their composition or crystallinity. To verify this assumption, we observed the H2O deposition…
The recent discovery of topological insulators has revived interest in the topological properties of insulating band structures. In this work, we extend the topological classification of insulating band structures to include certain point…
Topological metals are special conducting materials with gapless band structures and nontrivial edge-localized resonances, whose discovery has proved elusive because the traditional topological classification methods do not apply in this…