相关论文: Exploring the cocrystallization potential of urea …

Cohesion mechanism of cubic approximant crystals of newly discovered binary quasicrystals, Cd$_6$M (M=Yb and Ca), are studied theoretically. It is found that stabilization due to alloying is obtained if M is an element with low-lying…

Despite being the most abundant (by space density) of interacting binary stars, W Ursae Majoris (W UMa) stars are not understood structurally. Their stellar components are in physical contact, and share a common convective envelope.…

Ba2CoWO6 (BCoW) has been synthesized in polycrystalline form by solid state reaction at 1200C. Structural characterization of the compound was done through X-ray diffraction (XRD) followed by Rietveld analysis of the XRD pattern. The…

Layered bismuthides of the family ATM2Bi2 are showing very interesting structural and physical properties. Here, we report crystal growth and characterization of new ternary layered bismuthides: RbCd2Bi2, RbZn2Bi2 and KZn2Bi2. Single…

Standard X-ray crystallography methods use free-atom models to calculate mean unit cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models. To address this limitation, a…

Understanding the molecular mechanism by which denaturants modulate protein structure remains a central challenge in protein biophysics. In this work, molecular dynamics simulations were employed to investigate the effects of urea on the…

The crossover from weak coupling Bardeen-Cooper-Schrieffer (BCS) pairing to a Bose-Einstein condensate (BEC) of tightly bound pairs, as a function of the attractive interaction in Fermi systems, has long been of interest to theoretical…

In this work 2-(bis(cyanomethyl)amino)-2-oxoethyl methacrylate (CMA2OEM) molecule has been characterized theoretically. First, the potential energy surface has been calculated to find the lowest energy state of the molecule. After the most…

Multi-component liquid mixtures can be both complex and fascinating, with some systems being amenable to simple experimentation at home, giving valuable insight into fundamental aspects of bulk and interfacial phase behaviour. One…

In this article, we demonstrate a method for inducing reversible crystal-to-crystal transitions in binary mixtures of soft colloidal particles. Through a controlled decrease of salinity and increasingly dominating electrostatic…

We consider collisional properties of polyatomic aromatic hydrocarbon molecules immersed into ultracold atomic gases and investigate intermolecular interactions of exemplary benzene, naphthalene, and azulene with alkali-metal (Li, Na, K,…

The statistical thermodynamics of binary mixtures of polyatomic species was developed on a generalization in the spirit of the lattice-gas model and the quasi-chemical approximation (QCA). The new theoretical framework is obtained by…

We consider a system consisting of Rydberg dressed atoms interacting with BEC condensate of diatomic molecules. Using random phase approximation (RPA) we calculate the effective interactions between Rydberg atoms accounting for their Wan…

Molecular dynamics simulations of the interface structure in binary AgCu eutectic were performed by using the realistic EAM potential. In simulations, we examined such quantities as the time dependence of the total energy in the process of…

When interactions between particles are strong, at low temperature, these particles can form self-organized quantum crystals, and when the particles interact weakly, periodic structures can be imposed by external fields, e.g. by optical…

Recent experiments have revitalized the interest in a Fermi gas of ultracold atoms with strong repulsive interactions. In spite of its seeming simplicity, this system exhibits a complex behavior, resulting from the competing action of two…

The behavior of identical particles interacting through the harmonic-repulsive pair potential has been studied in 3D using molecular dynamics simulations at a number of different densities. We found that at many densities, as the…

Neutrinos emitted in the coalescence of two neutron stars affect the dynamics of the outflow ejecta and the nucleosynthesis of heavy elements. In this work, we analyze the neutrino emission properties and the conditions leading to the…

The possibility of recording fragmentation events of relativistic nuclei in a nuclear emulsion, discovered back in the pioneering era of cosmic ray physics, opens up the prospect of using this method to study extremely cold ensembles of H…

Using full 3+1 dimensional general-relativistic hydrodynamic simulations of equal- and unequal-mass neutron-star binaries with properties that are consistent with those inferred from the inspiral of GW170817, we perform a detailed study of…