Related papers: Evolution of Local Structures in Alkali-Borate Gla…
Two series of Sm-, Gd-codoped aluminoborosilicate glasses with different total rare earth content have been studied in order to examine the codoping effect on the structural modifications of beta-irradiated glasses. The data obtained by…
The increase of the viscosity, which is observed in attractive colloidal systems by varying the temperature or the volume fraction, can be related to the formation of structures due to particle aggregation. In particular we have studied the…
Using a modified Lennard-Jones model for elliptic particles and spherical impurities, we present results of molecular dynamics simulation in two dimensions. In one-component systems of elliptic particles, we find an orientation phase…
Temperature dependent crystal structures of the quasi-one-dimensional ladder material BaFe2Se3 are examined. Combining the optical second harmonic generation (SHG) experiments and neutron diffraction measurements, we elucidate the crystal…
Local structural distortions in Na0.5Bi0.5TiO3-based solid solutions have been proved to play a crucial role in understanding and tuning their enhanced piezoelectric properties near the morphotropic phase boundary. In this work all local…
We develop a model free energy from an expansion that basically includes graphs without loops. From this calculation, we derive the temperature dependence of the density (or specific volume), the typical time scale of the…
We study the influence of composition changes on the glass transition of binary hard disc and hard sphere mixtures in the framework of mode coupling theory. We derive a general expression for the slope of a glass transition line. Applied to…
The recent observation of an electronic cluster glass state composed of random domains with unidirectional modulation of charge density and/or spin density on Bi_{2}Sr_{2}CaCu_{2}O_{8+\delta} reinvigorates the debate of existence of…
We study concentrated binary colloidal suspensions, a model system which has a glass transition as the volume fraction $\phi$ of particles is increased. We use confocal microscopy to directly observe particle motion within dense samples…
Series of molecular dynamics simulations for 2-propanol-water mixtures, as a function of temperature (between freezing and room temperature) and composition (xip= 0, 0.5, 0.1 and 0.2) have been performed for temperatures reported in the…
The mixed-alkali effect on the cation dynamics in silicate glasses is analyzed via molecular dynamics simulations. Observations suggest a description of the dynamics in terms of stable sites mostly specific to one ionic species. As main…
The synergetic approach proposed here is based on characteristic instability of chemical bonding in the form of the bond wave considered as the spatiotemporal correlation between the elementary acts of bond exchange. In frames of the model,…
We use large-scale molecular dynamics simulations to study the kinetics of the liquid-gas phase separation if the temperature is lowered across the glass transition of the dense phase. We observe a gradual change from phase separated…
Using molecular simulations, we shed light on the mechanism underlying crystal nucleation in metal alloys and unravel the interplay between crystal nucleation and glass transition, as the conditions of crystallization lie close to this…
We present computer simulations of concentrated solutions of unknotted nonconcatenated semiflexible ring polymers. Unlike in their flexible counterparts, shrinking involves a strong energetic penalty, favoring interpenetration and…
The glass-forming ability (GFA) of alloys, colloidal dispersions, and other particulate materials, as measured by the critical cooling rate $R_c$, can span more than ten orders of magnitude. Even after numerous previous studies, the…
We report on the synthesis and magnetic properties of frustrated Na0.22MnO2*0.39H2O and K0.6MnO2*0.48H2O with the birnessite structure. The structure, static and dynamic magnetic properties of the compounds are investigated in detail. A…
Using positional data from video-microscopy of a two-dimensional colloidal system and from simulations of hard discs we determine the wave-vector-dependent normal mode spring constants in the supercooled fluid and glassy state,…
We control the anisotropic molecular packing of vapor-deposited glasses of ABH113, a deuterated anthracene derivative with promise for future OLED materials, by changing the deposition rate and substrate temperature at which they are…
Chemical design of SiO2-based glasses with high elastic moduli and low weight is of great interest. However, it is difficult to find a universal expression to predict the elastic moduli according to the glass composition before synthesis…