Related papers: Comparing different coarse-grained potentials for …
The path probability method (PPM) in the tetrahedron-cactus approximation is applied to the Slater-Takagi model with dipole-dipole interaction for KH2PO4-type hydrogen-bonded ferroelectric crystals in order to derive a small dip structure…
The complexity of physico-chemical models of star formation is increasing, with models that take into account new processes and more realistic setups. These models allow astrochemists to compute the evolution of chemical species throughout…
The physical behavior of glass-forming liquids presents complex features of both dynamic and thermodynamic nature. Some studies indicate the presence of thermodynamic anomalies and of crossovers in the dynamic properties, but their origin…
A theory of flow stress (FS), reviewing and developing our research,e.g. arxiv:1803.08247;1908.09338, is proposed,including yield strength (YS) of PC materials for quasi-static plastic loading for grain of average size d in range…
A micro-hydromechanical model for granular materials is presented. It combines the discrete element method (DEM) for the modeling of the solid phase and a pore-scale finite volume (PFV) formulation for the flow of an incompressible pore…
We present a study of the nucleation mechanism that allows the decay of the metastable phase (trans-cisoid) to the stable phase (cis-transoid) in quasi one-dimensional non-degenerate polymers within the continuum electron-phonon model. The…
Context. The surface structures and dynamics of cool stars are characterized by the presence of convective motions and turbulent flows which shape the emergent spectrum. Aims. We used realistic three-dimensional radiative hydrodynamical…
The transition density $n_t$ and pressure $P_t$ at the inner edge between the liquid core and the solid crust of a neutron star are analyzed using the thermodynamical method and the framework of relativistic nuclear energy density…
The photospheres of the coolest helium-atmosphere white dwarfs are characterized by fluid-like densities. Under those conditions, standard approximations used in model atmosphere codes are no longer appropriate. Unfortunately, the majority…
Using Kohn-Sham density functional theory (KS-DFT), we have studied the interaction between various polyaromatic hydrocarbon molecules. The systems range from mono-cyclic benzene up to hexabenzocoronene (hbc). For several conventional…
Microgels are often discussed as well-suited model system for soft colloids. In contrast to rigid spheres, the microgel volume and, coupled to this, the volume fraction in dispersion can be manipulated by external stimuli. This behavior is…
A microscopic description is given for the behavior of the fluid system in an immediate vicinity of its critical point, where theoretical and experimental researches are difficult to carry out. For the temperatures $T<T_c$, the regions of…
We present a Bethe approximation to study lattice models of linear polymers. The approach is variational in nature and based on the cluster variation method (CVM). We focus on a model with $(i)$ a nearest neighbor attractive energy…
High-resolution, high-signal-to-noise (<S/N> = 85) spectra have been obtained for five stars -- CD-24:17504, CD-38:245, CS 22172-002, CS 22885-096, and CS 22949-037 -- having [Fe/H] < -3.5 according to previous lower S/N material. LTE…
We consider star polymers, consisting of two different polymer species, in a solvent subject to quenched correlated structural obstacles. We assume that the disorder is correlated with a power-law decay of the pair correlation function…
High transition temperature (high-Tc) superconductivity is associated with layered crystal structures. This work considers superconductivity in ultra-thin crystals (of thickness equal to the transverse structural periodicity distance d for…
Three-dimensional (3D) radiative hydrodynamic model atmospheres of metal-poor late-type stars are characterized by cooler upper photospheric layers than their 1D counterparts. This property of 3D models can dramatically affect elemental…
It is well known that some liquids can demonstrate anomalous behavior. Interestingly, this be- havior can be qualitatively reproduced with simple core-softened isotropic pair-potential systems. Although anomalous properties of liquids…
A physics-based analytical model describing the phase transition from crystalline to conformationally disordered (condis) crystalline phase is developed. In the model, the free energy is written as a function of temperature and the lattice…
An analytical description of polymer melts and their mixtures as liquids of interacting soft colloidal particles is obtained from liquid-state theory. The derived center-of-mass pair correlation functions with no adjustable parameters…