The thermodynamics and cooperative dynamics of heterophase liquid states is considered taking into account frustration and volumetric interaction of the solid-like fluctuons. It is found that the glass transition temperature range is scaled by difference of the frustration parameter and mean energy of the volumetric interaction. A model of the cooperative relaxation with finite cooperatively rearranging domains is considered. The fictitious Kauzmann and Vogel-Fulcher temperatures are determined. It is found that they are close to a proper accuracy. Correlation of the temperatures of glass transition, Vogel-Fulcher and "ideal" glass transition (as it is determined in the mode coupling model) is considered too.
Molecular dynamic simulations of structure, thermodynamic and kinetic properties of model metallic Ag-Cu alloy are performed to elucidate its behavior at glass transition. In spite of small variations of inherent structure of the alloy the relaxation kinetics undergo dramatic changes at the glass transition. The time dependences of the mean square displacements and the non-Gaussianity parameter show the signs of anomalous diffusion in an intermediate time region. The analysis of time evolution of van Hove correlation function indicates the existence of both jump displacements and short-range cooperative atomic rearrangements. Below T g these cooperative rearrangements do not contribute to a long-range diffusion but they still dominate the relaxation at short time.
The liquid-to-glass transition is a process of supercooled liquid solidification. Rather large density fluctuations are revealed experimentally in many of the glass-forming liquids above the glass transition temperature while no phase transitions are identified [1,2]. In [3][4][5], the inhomogeneities are treated as heterophase fluctuations (HPF). The process of glass formation gets there a natural description as a continuous phase transformation. The theory of strong HPF was developed in a mean field approximation which ignores the mesoscopic structure of the inhomogeneities which is an issue of extensive experimental investigations and discussions [1,2,5]. In the present communication the HPF are considered in the model of interpercolating heterophase states and in Ginzburg-Landau (GL) approach. It is shown that the GL approach results in the random field Ising model (RFIM) for HPF. It permits to get a description of the medium range and long-range correlations of the HPF. RFIM is very useful in studying the spin systems with a frozen-in disorder. Therefore the theory developed makes it possible to compare the phase states with frozen-in (spin systems) and self-consistent (heterophase liquids) disorders. In particular, it turns out that the heterophase liquids are similar (but not identical) to Griffiths phase of disordered spin systems. It is seen that the developed model bridges the theories of disordered spin systems and glass-forming liquids.
The dimensionless value of critical compressibility factor in the van der Waals theory of gas-liquid critical point is a universal constant, Z c = 0.375. Experimentally measured values of this quantity for simple fluids are considerably smaller than the theory prediction. Van der Waals once assumed that this discrepancy can be removed by taking account of the impact of the molecular pseudo-associations on the fluid criticality but he did not complete a proper modification of his theory following up on this idea. The communication is devoted to the filling of this gap.
New phenomenological models are proposed to describe the effect of an ordered lattice structure of crystalline targets on the as-implanted doping profiles of low-energy heavy ions. The models account for the channeling kinetics and clarify the effect of bi-directional transitions of ions between random-like and channeled modes of motion on the target depth dependencies of dopant concentration. They also incorporate a simple model of the target radiation damaging effect on doping profiles. The presented results of model validation against the experimental and Monte Carlo computer simulation data and the comparative analysis of the capabilities of the proposed and the existing models show that the application of a more physically grounded approach allows us to improve the quality of doping profile description. The theoretical models developed are useful for obtaining physical parameters of low-energy ion channeling kinetics from the experimental data.
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