Related papers: Exploring the cocrystallization potential of urea …
The oxidation of potassium ferrocyanide, K_4Fe(CN)_6, in aqueous solution under fully supported conditions is carried out at interdigitated band and ring electrode arrays, and compared to theoretical models developed to simulate the…
We connect the observed under-abundances of Li and Be in dwarfs, with recent results on nuclear cross sections at low energies: for collisions of protons with atomic or molecular targets, the measured cross sections seem too high with…
A computational strategy for the evaluation of the crystal lattice constants and cohesive energy of the weakly bound molecular solids is proposed. The strategy is based on the high level ab initio coupled-cluster determination of the…
Urea titration of RNA by urea is an effective approach to investigate the forces stabilizing this biologically important molecule. We used all atom molecular dynamics simulations using two urea force fields and two RNA constructs to…
We report a numerical study of the rate of crystal nucleation in a binary suspension of oppositely charged colloids. Two different crystal structures compete in the thermodynamic conditions under study. We find that the crystal phase that…
Bose-Einstein condensate (BEC) is considered under conditions of Feshbach resonance in two-atom collisions due to a coupling of atomic pair and resonant molecular states. The association of condensate atoms can form a molecular BEC, and the…
Isomerization, i.e. the rearrangement between distinct molecular configurations, is a fundamental process in chemistry. Here we demonstrate that two-dimensional Coulomb crystals can emulate molecular isomerization and be used to…
Spontaneous onset of a low temperature topologically ordered phase in a 2-dimensional (2D) lattice model of uniaxial liquid crystal (LC) was debated extensively pointing to a suspected underlying mechanism affecting the RG flow near the…
We investigate theoretically the fluid-crystal coexistence of solutions of globular charged nanoparticles like proteins and inorganic colloids. The thermodynamic properties of the fluid phase are computed via the optimized Baxter model.…
Tautomers are ubiquitous throughout chemistry, and typically considered inseparable in solution. Yet (bio)chemical activity is highly tautomer specific, with common examples being the amino and nucleic acids. While tautomers exist in an…
The equation of state, structural behavior and phase stability of {\alpha}-uranium have been investigated up to 1.3 TPa using density functional theory, adopting a simple description of electronic structure that neglects the spin-orbit…
Recent experiments have realized a twisted bilayer-like optical potential for ultra-cold atoms, which in contrast to solid-state set ups may allow for an arbitrary ratio between the inter- and intra-layer couplings. For commensurate Moir\'e…
Binary star systems are assumed to be co-natal and coeval, thus to have identical chemical composition. In this work we aim to test the hypothesis that there is a connection between observed element abundance patterns and the formation of…
Crucial to gaining control over crystallisation in multicomponent materials or accurately modelling rheological behaviour of magma flows is to understand the mechanisms by which crystal nuclei form. The microscopic nature of such nuclei,…
We present a new method for modeling disordered solid solutions, based on the virtual crystal approximation (VCA). The VCA is a tractable way of studying configurationally disordered systems; traditionally, the potentials which represent…
The interfacial free energy is a central quantity in crystallization from the meta-stable melt. In suspensions of charged colloidal spheres, nucleation and growth kinetics can be accurately measured from optical experiments. In previous…
Experiments and simulations are used to study the kinetics of crystal growth in a mixture of magnetic and nonmagnetic particles suspended in ferrofluid. The growth process is quantified using both a bond order parameter and a mean domain…
In these lectures we discuss condensates which are formed in quark matter when it is squeezed and in a gas of fermionic atoms when it is cooled. The behavior of these two seemingly very different systems reveals striking similarities. In…
Using a strategy that may be applied in theory or in experiments, we identify the regime in which a model binary soft matter mixture forms quasicrystals. The system is described using classical density functional theory combined with…
Quasicrystals exhibit long-range order but lack translational symmetry. When grown as single crystals, they possess distinctive and unusual properties owing to the absence of grain boundaries. Unfortunately, conventional methods such as…