Plastic flow in polycrystal states in a binary mixture

Using molecular dynamics simulation we examine dynamics in sheared polycrystal states in a binary mixture containing 10% larger particles in two dimensions. We find large stress fluctuations arising from sliding motions of the particles at the grain boundaries, which occur cooperatively to release the elastic energy stored. These dynamic processes are visualized with the aid of a sixfold angle $\alpha_j(t)$ representing the local crystal orientation and a disorder variable $D_j(t)$ representing a deviation from the hexagonal order for particle $j$.Comment: 3 pages, 3 figure

Self-organization in He4 near the superfluid transition in heat flow and gravity

We investigate the nonlinear dynamics of He4 slightly below the superffluid transition by integrating model F equations in three dimensions. When heated from above under gravity, a vortex tangle and a sheetlike phase slip are generated near the bottom plate. Then a self-organized superfluid containing high-density vortices and phase slips grows upward into an ordinary superfluid. The thermal resistance due to these defects produces a constant temperature gradient equal to the gradient of the pressure-dependent transition temperature $T_{\lambda}(p)$. In this self-organized region, the temperature deviation $T-T_{\lambda}(p)$ consists of a negative constant independent of the height and time-dependent fluctuations. Its time-average is calculated in good agreement with the experimental value (W.A. Moeur {\it et al.}, Phys. Rev. Lett. 78, 2421 (1997)).Comment: 8 pages, 7 figure

Quantifying Nonequilibrium Behavior with Varying Cooling Rates

We investigate nonequilibrium behavior in (1+1)-dimensional stochastic field theories in the context of Ginzburg-Landau models at varying cooling rates. We argue that a reliable measure of the departure from thermal equilibrium can be obtained from the absolute value of the rate of change of the momentum-integrated structure function, $\Delta S_{\rm{tot}}$. We show that the peak of $\Delta S_{\rm{tot}}$ scales with the cooling, or quench, time-scale, $\tau_q$, in agreement with the prediction by Laguna and Zurek for the scaling of freeze-out time in both over and under-damped regimes. Furthermore, we show that the amplitude of the peak scales as $\tau_q^{-6/5}$ independent of the viscosity.Comment: 4 pages, 4 figures, submitted to Phys. Rev. Let

Ion-induced nucleation in polar one-component fluids

We present a Ginzburg-Landau theory of ion-induced nucleation in a gas phase of polar one-component fluids, where a liquid droplet grows with an ion at its center. By calculating the density profile around an ion, we show that the solvation free energy is larger in gas than in liquid at the same temperature on the coexistence curve. This difference much reduces the nucleation barrier in a metastable gas.Comment: 9 pagers, 9 figures, to be published in J. Chem. Phy

Dynamics of Binary Mixtures with Ions: Dynamic Structure Factor and Mesophase Formation

Dynamic equations are presented for polar binary mixtures containing ions in the presence of the preferential solvation. In one-phase states, we calculate the dynamic structure factor of the composition accounting for the ion motions. Microphase separation can take place for sufficiently large solvation asymmetry of the cations and the anions. We show two-dimensional simulation results of the mesophase formation with an antagonistic salt, where the cations are hydrophilic and the anions are hydrophobic. The structure factor S(q) in the resultant mesophase has a sharp peak at an intermediate wave number on the order of the Debye-Huckel wave number. As the quench depth is increased, the surface tension nearly vanishes in mesophases due to an electric double layer.Comment: 24 pages, 10 figures, to appear in Journal of Physics: Condensed Matte

Thermoacoustic effects in supercritical fluids near the critical point: Resonance, piston effect, and acoustic emission and reflection

We present a general theory of thermoacoustic phenomena in supercritical fluids near the critical point in a one-dimensional cell. We take into account the effects of the heat conduction in the boundary walls and the bulk viscosity near the critical point. We introduce a coefficient $Z(\omega)$ characterizing reflection of sound with frequency $\omega$ at the boundary. As applications, we examine the acoustic eigenmodes in the cell, the response to time-dependent perturbations, sound emission and reflection at the boundary. Resonance and rapid adiabatic changes are noteworthy. In these processes, the role of the thermal diffusion layers is enhanced near the critical point because of the strong critical divergence of the thermal expansion.Comment: 15 pages, 7 figure

Plastic deformations in crystal, polycrystal, and glass in binary mixtures under shear: Collective yielding

Using molecular dynamics simulation, we examine the dynamics of crystal, polycrystal, and glass in a Lennard-Jones binary mixture composed of small and large particles in two dimensions. The crossovers occur among these states as the composition c is varied at fixed size ratio. Shear is applied to a system of 9000 particles in contact with moving boundary layers composed of 1800 particles. The particle configurations are visualized with a sixfold orientation angle alpha_j(t) and a disorder variable D_j(t) defined for particle j, where the latter represents the deviation from hexagonal order. Fundamental plastic elements are classified into dislocation gliding and grain boundary sliding. At any c, large-scale yielding events occur on the acoustic time scale. Moreover, they multiply occur in narrow fragile areas, forming shear bands. The dynamics of plastic flow is highly hierarchical with a wide range of time scales for slow shearing. We also clarify the relationship between the shear stress averaged in the bulk region and the wall stress applied at the boundaries.Comment: 17 pages, 15 figures, to appear in Physical Review

Molecular Dynamics Simulation of Heat-Conducting Near-Critical Fluids

Using molecular dynamics simulations, we study supercritical fluids near the gas-liquid critical point under heat flow in two dimensions. We calculate the steady-state temperature and density profiles. The resultant thermal conductivity exhibits critical singularity in agreement with the mode-coupling theory in two dimensions. We also calculate distributions of the momentum and heat fluxes at fixed density. They indicate that liquid-like (entropy-poor) clusters move toward the warmer boundary and gas-like (entropy-rich) regions move toward the cooler boundary in a temperature gradient. This counterflow results in critical enhancement of the thermal conductivity

Surface tension of electrolytes: Hydrophilic and hydrophobic ions near an interface

We calculate the ion distributions around an interface in fluid mixtures of highly polar and less polar fluids (water and oil) for two and three ion species. We take into account the solvation and image interactions between ions and solvent. We show that hydrophilic and hydrophobic ions tend to undergo a microphase separation at an interface, giving rise to an enlarged electric double layer. We also derive a general expression for the surface tension of electrolyte systems, which contains a negative electrostatic contribution proportional to the square root of the bulk salt density. The amplitude of this square-root term is small for hydrophilic ion pairs, but is much increased for hydrophilic and hydrophobic ion pairs. For three ion species including hydrophilic and hydrophobic ions, we calculate the ion distributions to explain those obtained by x-ray reflectivity measurements.Comment: 8 figure

Intermediate states at structural phase transition: Model with a one-component order parameter coupled to strains

We study a Ginzburg-Landau model of structural phase transition in two dimensions, in which a single order parameter is coupled to the tetragonal and dilational strains. Such elastic coupling terms in the free energy much affect the phase transition behavior particularly near the tricriticality. A characteristic feature is appearance of intermediate states, where the ordered and disordered regions coexist on mesoscopic scales in nearly steady states in a temperature window. The window width increases with increasing the strength of the dilational coupling. It arises from freezing of phase ordering in inhomogeneous strains. No impurity mechanism is involved. We present a simple theory of the intermediate states to produce phase diagrams consistent with simulation results.Comment: 16 pages, 14 figure