Related papers: Competing crystallization pathways and cold crysta…
Sequential deprotonation of the Cr3+ hexahydrate in an alkaline environment up to the stage of a charge-neutral active hydroxide was studied via density functional theory. The deprotonation could be characterized as autocatalytic since upon…
Comprehensive x-ray scattering studies have characterized the smectic ordering of octylcyanobiphenyl (8CB) confined in the hydrogen-bonded silica gels formed by aerosil dispersions. For all densities of aerosil and all measurement…
The low-temperature thermal and transport properties of an unusual kind of crystal exhibiting minimal molecular positional and tilting disorder have been measured. The material, namely, low-dimensional, highly anisotropic…
The high-pressure optical floating-zone method enables single crystal growth of the Pmnb high-temperature phase of Li2FeSiO4. The influence of growth conditions on crystal quality, phase homogeneity, and impurity formation in Li2FeSiO4 is…
We first present a comparative analysis of temperature evolution of the excess thermodynamic potentials (state functions), the enthalpy $\Delta H$, entropy $\Delta S$ and Gibbs free energy $\Delta \Phi$, determined for \textit{i})…
When a liquid is cooled below its melting temperature, if crystallization is avoided, it forms a glass. This phenomenon, called glass transition, is characterized by a marked increase of viscosity, about 14 orders of magnitude, in a narrow…
We study the equilibrium arrangements of polarization vortices in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices by means of second-principles simulations. We find that, at low temperatures, polarization vortices organize in a regular…
When liquids are cooled sufficiently rapidly below their melting temperature, they may bypass crystalization and, instead, enter a long-lived metastable supercooled state that has long been the focus of intense research. Although they…
We investigate crystalline thermodynamic stable lithium silicides phases (LixSiy) with density functional theory (DFT) and a force-field method based on modified embedded atoms (MEAM) and compare our results with experimental data. This…
Photoactive liquid crystal elastomers are polymer networks of liquid crystal mesogens embedded with chromophores like azobenzene. They undergo large deformation when illuminated by light of a certain wavelength through photochemical…
We investigate structural order in glassy water by performing classical molecular dynamics simulations using the extended simple point charge (SPC/E) model of water. We perform isochoric cooling simulations across the glass transition…
The glass transition GT is usually thought of as a structural arrest that occurs during the cooling of a liquid, or sometimes a plastic crystal, trapping a metastable state of the system before it can recrystallize to stabler forms1. This…
Thermodynamic multi-component solution solidification approach to liquid-to-glass transition is proposed and actual mechanisms underlying vitrification, other than viscous slowdown, are identified. Due to polydisperse aggregation in liquid…
Interface energy and kinetic coefficient of crystal growth strongly depend on the face of the crystalline lattice. To investigate the kinetic anisotropy and velocity of different crystallographic faces we use the hyperbolic (modified) phase…
Current and future experiments observing the cosmic microwave background require a detailed understanding of optical performance at cryogenic temperatures. Pre-deployment analysis of optics can be performed in custom-engineered cryogenic…
Non-equilibrium charge dynamics, such as cooling-rate-dependent charge vitrification and physical aging, have been demonstrated for a charge-cluster glass in $\theta$-(BEDT-TTF)$_2$CsZn(SCN)$_4$ using electron transport measurements. The…
Starting from Cs2CuCl4 and Cs2CuBr4 our project focuses on the growth of the Cs2CuCl4-xBrx mixed crystals from aqueous solution and the investigation of the occurring structural variations. The well known orthorhombic structure (space group…
The influence of cyclic loading and glass stability on structural relaxation and yielding transition in amorphous alloys was investigated using molecular dynamics simulations. We considered a binary mixture cooled deep into the glass phase…
We study the hydrodynamics of quantum 4He crystal oscillations in a superfluid liquid with involving the dynamics of atomically rough surfaces. It is shown that, due to enhancement of the kinetic growth coefficient as the temperature…
The dynamics of active smectic liquid crystals confined on a spherical surface is explored through an active phase field crystal model. Starting from an initially randomly perturbed isotropic phase, several types of topological defects are…