Related papers: Modelling the atomic structure of very high-densit…
Despite relevance to disparate areas such as cloud microphysics and tribology, major gaps in the understanding of the structures and phase transitions of low-dimensional water ice remain. Here we report a first principles study of confined…
We investigate bulk thermodynamic and microscopic structural properties of amorphous solids in the framework of the phase-field crystal (PFC) model. These are metastable states with a non-uniform density distribution having no long-range…
Phase-contrast transmission electron microscopy (TEM) of hexagonal ice (Ih) along [0001] sometimes shows a honeycomb-like pattern, often interpreted as individual oxygen columns in single crystals. Here, we show that this pattern commonly…
The results of experiments on the formation of molecular hydrogen on low density and high density amorphous ice surfaces are analyzed using a rate equation model. The activation energy barriers for the relevant diffusion and desorption…
Recent theoretical research has developed a general framework to understand director deformations and modulated phases in nematic liquid crystals. In this framework, there are four fundamental director deformation modes: twist, bend, splay,…
Proton ordering in water ice is a paradigmatic order-disorder transition in a locally constrained system. The ice rules require exactly two hydrogens close to each oxygen, restricting the disorder to an exponentially large yet strongly…
I examine a variety of snow crystal growth measurements taken at a temperature of -5 C, as a function of supersaturation, background gas pressure, and crystal morphology. Both plate-like and columnar prismatic forms are observed under…
We report the structure of transient fluctuations in the liquid phase of a two-dimensional system that exhibits several ordered phases with different symmetries. The density-temperature phase diagram of the system studied, composed of…
We study numerically a model of non-aligning self-propelled particles interacting through steric repulsion, which was recently shown to exhibit active phase separation in two dimensions in the absence of any attractive interaction or…
Prominences show a surprising amount of fine structure and it is widely believed that their threads, as seen in H$\alpha$ observations, provide indirect information concerning magnetic field topology. We investigate the spontaneous…
We have studied solid hydrogen up to pressures of 300 GPa and temperatures of 350 K using density functional theory methods and have found "mixed structures" that are more stable than those predicted earlier. Mixed structures consist of…
Using numerical simulations that mimic recent experiments on hexagonal colloidal ice, we show that colloidal hexagonal artificial spin ice exhibits an inner phase within its ice state that has not been observed previously. Under increasing…
While topological phases have been extensively studied in amorphous systems in recent years, it remains unclear whether the random nature of amorphous materials can give rise to higher-order topological phases that have no crystalline…
We use high-throughput first-principles sampling to investigate competitive factors that determine the crystal structure of high-entropy alloys (HEAs) and the energetics dependence of the stable phase on the atomic configuration of fully…
There is ample experimental evidence on the existence of several crystalline phases of C4F8, although they still have been not clearly identified. In this paper we perform a series of molecular dynamics (MD) simulations using a partially…
Despite many attempts, ordered equilibrium microphases have yet to be obtained in experimental colloidal suspensions. The recent computation of the equilibrium phase diagram of a microscopic, particle-based microphase former [Zhuang et al.,…
The process of formation for an ice crystal with elaborate, symmetrical patterns from the water vapor is usually complicated and the corresponding mechanism is still not clear. Here, we experimentally constructed the 3D tubular ice crystals…
One of water's unsolved puzzles is the question of what determines the lowest temperature to which it can be cooled before freezing to ice. The supercooled liquid has been probed experimentally to near the homogeneous nucleation temperature…
We investigate the phase behavior of a single-component system in 3 dimensions with spherically-symmetric, pairwise-additive, soft-core interactions with an attractive well at a long distance, a repulsive soft-core shoulder at an…
A mechanically-based structural optimization method is utilized to explore the phenomena of jamming for assemblies of frictionless Platonic solids. Systems of these regular convex polyhedra exhibit mechanically stable phases with density…