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Analysis of the electron density distribution in clusters composed of hydrogen fluoride, water, and ammonia molecules, especially within the hydrogen-bond domains, reveals the existence of both \sigma- and \pi-binding between molecules. The…
Ion distributions in dilute polyelectrolyte solutions are studied by means of Langevin dynamics simulations. We show that the distributions depend on the conformation of a chain while the conformation is determined by the chain stiffness…
Whereas knowledge of a crystalline material's unit cell is fundamental to understanding the material's properties and behavior, there are not obvious analogues to unit cells for disordered materials despite the frequent existence of…
We use energy discrimination of keV ions transmitted through a thin, single-crystalline silicon membrane to correlate specific angular distribution patterns formed in channelling geometry with trajectory-dependent electronic energy loss.…
X-ray crystallography rarely captures chemical bonding between atoms of a structure in question. Most of the time distance-based heuristics are applied to establish the pairs of bonded atoms. One class of such heuristics depends on a set of…
Until recently, all known ordered II-IV-N2 materials crystallised in the $\beta$-NaFeO$_2$-type in space group Pna2$_1$. BeGeN$_2$, however, crystallises in space group Pmc2$_1$, with a different cation ordering motif long anticipated for…
The channel size distribution in hard sphere systems, based on the local neighbor correlation of four particle positions, is investigated for all volume fractions up to jamming. For each particle, all three particle combinations of…
The properties of crystals consisting of several components can be widely tuned. Often solid solutions are produced, where substitutional or interstitional disorder determines the crystal thermodynamic and mechanical properties. The…
We study the propagation and distribution of quantum correlations through two chains of atoms inside cavities joined by optical fibers. We consider an effective Hamiltonian for the system and cavity losses, in the dressed atom picture,…
Two-point correlation functions of systems with baryon number $B \in \{1,2,3,4\}$ are investigated using lattice Quantum Chromodynamics (QCD). In particular, the empirical distributions of importance-sampling Monte-Carlo samples of these…
Metals are found in all baryonic phases and environments, and our knowledge of their distribution `in and around galaxies' has significantly improved over the past few years. Theoretical work has shown that the fraction of metals in…
The distributions of a galaxy's gas and stars in chemical space encodes a tremendous amount of information about that galaxy's physical properties and assembly history. However, present methods for extracting information from chemical…
Observations of galaxy clusters (GC's) are a powerful tool to probe the evolution of the Universe at $z<2$. However, the determination of their real shape and structure is not completely understood and the assumption of asphericity is often…
Our curiosity-driven desire to "see" chemical bonds dates back at least one-hundred years, perhaps to antiquity. Sweeping improvements in the accuracy of measured and predicted electron charge densities, alongside our largely bondcentric…
Despite its importance, the understanding of ionic cloud distribution close to a charged macroion under physiological salt conditions has remained very limited especially for strongly coupled systems with, for instance, multivalent…
We demonstrate light-induced localization of Coulomb-interacting particles in multi-dimensional structures. Subwavelength localization of ions within small multi-dimensional Coulomb crystals by an intracavity optical standing wave field is…
From the theory of topological defect formation proposed for the early universe, the so called Kibble mechanism, it follows that the density correlation functions of defects and anti-defects in a given system should be completely determined…
A definition of structural diversity, adapted from the biodiversity literature, is introduced to provide a general characterization of structures of condensed matter. Using the Favored Local Structure (FLS) lattice model as a testbed, the…
This article provides some characterizations of extended COM-Poisson distribution: conditional distribution given the sum, functional operator characterization (Stein identity). We also give some conditions such that the extended…
The quaternion Bingham distribution has been used to model preferred crystallographic orientation, or crystallographic texture, in polycrystalline materials in the materials science and geological communities. A primary difficulty in…