arXiv subjects

Hideyuki Mizuno

Publications and source records attributed to Hideyuki Mizuno.

64 records · Page 4Linked to original sources

arXiv2015

Elastic consequences of a single plastic event: towards a realistic account of structural disorder and shear wave propagation in models of flowing amorphous solids

Shear transformations (i.e., localised rearrangements of particles resulting in the shear deformation of a small region of the sample) are the building blocks of mesoscale models for the flow of disordered solids. In order to compute the time-dependent response of the solid material to such a shear transformation, with a proper account of elastic heterogeneity and shear wave propagation, we propose and implement a very simple Finite-Element (FE) -based method. Molecular Dynamics (MD) simulations of a binary Lennard-Jones glass are used as a benchmark for comparison, and information about the microscopic viscosity and the local elastic constants is directly extracted from the MD system and used as input in FE. We find very good agreement between FE and MD regarding the temporal evolution of the disorder-averaged displacement field induced by a shear transformation, which turns out to coincide with the response of a uniform elastic medium. However, fluctuations are relatively large, and their magnitude is satisfactorily captured by the FE simulations of an elastically heterogeneous system. Besides, accounting for elastic anisotropy on the mesoscale is not crucial in this respect. The proposed method thus paves the way for models of the rheology of amorphous solids which are both computationally efficient and realistic, in that structural disorder and inertial effects are accounted for.

cond-mat.soft↗

arXiv2014

Generic transport coefficients of a confined electrolyte solution

Physical parameters characterising electrokinetic transport in a confined electrolyte solution are reconstructed from the generic transport coefficients obtained within the classical non-equilibrium statistical thermodynamic framework. The electro-osmotic flow, the diffusio-osmotic flow, the osmotic current, as well as the pressure-driven Poiseuille-type flow, the electric conduction, and the ion diffusion, are described by this set of transport coefficients. The reconstruction is demonstrated for an aqueous NaCl solution between two parallel charged surfaces with a nanoscale gap, by using the molecular dynamic (MD) simulations. A Green-Kubo approach is employed to evaluate the transport coefficients in the linear-response regime, and the fluxes induced by the pressure, electric, and chemical potential fields are compared with the results of non-equilibrium MD simulations. Using this numerical scheme, the influence of the salt concentration on the transport coefficients is investigated. Anomalous reversal of diffusio-osmotic current, as well as that of electro-osmotic flow, is observed at high surface charge densities and high added-salt concentrations.

cond-mat.soft↗

arXiv2014

Molecular dynamics simulation of electrokinetic flow of an aqueous electrolyte solution in nanochannels

Electrokinetic flows of an aqueous NaCl solution in nanochannels with negatively charged surfaces are studied using molecular dynamics (MD) simulations. The four transport coefficients that characterise the response to weak electric and pressure fields, namely the coefficients for the electrical current in response to the electric field ($M^{jj}$) and the pressure field ($M^{jm}$), and those for the mass flow in response to the same fields ($M^{mj}$ and $M^{mm}$), are obtained in the linear regime using a Green--Kubo approach. Nonequilibrium simulations with explicit external fields are also carried out, and the current and mass flows are directly obtained. The two methods exhibit good agreement even for large external field strengths, and Onsager's reciprocal relation ($M^{jm} = M^{mj}$) is numerically confirmed in both approaches. The influence of the surface charge density on the flow is also considered. The values of the transport coefficients are found to be smaller for larger surface charge density, because the counter-ions strongly bound near the channel surface interfere with the charge and mass flows. A reversal of the streaming current and of the reciprocal electro-osmotic flow, with a change of sign of $M^{mj}$ due to the excess co-ions, takes places for very high surface charge density.

physics.chem-ph↗

arXiv2014

Acoustic excitations and elastic heterogeneities in disordered solids

In the recent years, much attention has been devoted to the inhomogeneous nature of the mechanical response at the nano-scale in disordered solids. Clearly, the elastic heterogeneities that have been characterized in this context are expected to strongly impact the nature of the sound waves which, in contrast to the case of perfect crystals, cannot be completely rationalized in terms of phonons. Building on previous work on a toy model showing an amorphisation transition [Mizuno H, Mossa S, Barrat JL (2013) EPL {\bf 104}:56001], we investigate the relationship between sound waves and elastic heterogeneities in a unified framework, by continuously interpolating from the perfect crystal, through increasingly defective phases, to fully developed glasses. We provide strong evidence of a direct correlation between sound waves features and the extent of the heterogeneous mechanical response at the nano-scale.

cond-mat.dis-nn↗

arXiv2014

Elastic heterogeneity, vibrational states, and thermal conductivity across an amorphisation transition

Disordered solids exhibit unusual properties of their vibrational states and thermal conductivities. Recent progresses have well established the concept of "elastic heterogeneity", i.e., disordered materials show spatially inhomogeneous elastic moduli. In this study, by using molecular-dynamics simulations, we gradually introduce "disorder" into a numerical system to control its modulus heterogeneity. The system starts from a perfect crystalline state, progressively transforms into an increasingly disordered crystalline state, and finally undergoes structural amorphisation. We monitor independently the elastic heterogeneity, the vibrational states, and the thermal conductivity across this transition, and show that the heterogeneity in elastic moduli is well correlated to vibrational and thermal anomalies of the disordered system.

cond-mat.dis-nn↗

arXiv2013

Measuring Spatial Distribution of Local Elastic Modulus in Glasses

Glasses exhibit spatially inhomogeneous elastic properties, which can be investigated by measuring their elastic moduli at a local scale. Various methods to evaluate the local elastic modulus have been proposed in the literature. A first possibility is to measure the local stress-local strain curve and to obtain the local elastic modulus from the slope of the curve, or equivalently to use a local fluctuation formula. Another possible route is to assume an affine strain and to use the applied global strain instead of the local strain for the calculation of the local modulus. Most recently a third technique has been introduced, which is easy to be implemented and has the advantage of low computational cost. In this contribution, we compare these three approaches by using the same model glass and reveal the differences among them caused by the non-affine deformations.

cond-mat.soft↗

arXiv2012

Acoustic wave propagation through a supercooled liquid: A normal mode analysis

The mechanism of acoustic wave propagation in supercooled liquids is not yet fully understood since the vibrational dynamics of supercooled liquids are strongly affected by their amorphous inherent structures. In this paper, the acoustic wave propagation in a supercooled model liquid is studied by using normal mode analysis. Due to the highly disordered inherent structure, a single acoustic wave is decomposed into many normal modes in broad frequency range. This causes the rapid decay of the acoustic wave and results in anomalous wavenumber dependency of the dispersion relation and the rate of attenuation.

cond-mat.dis-nn↗

arXiv2012

Mechanical Responses and Stress Fluctuations of a Supercooled Liquid in a Sheared Non-Equilibrium State

A steady shear flow can drive supercooled liquids into a non-equilibrium state. Using molecular dynamics simulations under steady shear flow superimposed with oscillatory shear strain for a probe, non-equilibrium mechanical responses are studied for a model supercooled liquid composed of binary soft spheres. We found that even in the strongly sheared situation, the supercooled liquid exhibits surprisingly isotropic responses to oscillating shear strains applied in three different components of the strain tensor. Based on this isotropic feature, we successfully constructed a simple two-mode Maxwell model that can capture the key features of the storage and loss moduli, even for highly non-equilibrium state. Furthermore, we examined the correlation functions of the shear stress fluctuations, which also exhibit isotropic relaxation behaviors in the sheared non-equilibrium situation. In contrast to the isotropic features, the supercooled liquid additionally demonstrates anisotropies in both its responses and its correlations to the shear stress fluctuations. Using the constitutive equation (a two-mode Maxwell model), we demonstrated that the anisotropic responses are caused by the coupling between the oscillating strain and the driving shear flow. We measured the magnitude of this violation in terms of the effective temperature. It was demonstrated that the effective temperature is notably different between different components, which indicates that a simple scalar mapping, such as the concept of an effective temperature, oversimplifies the true nature of supercooled liquids under shear flow. An understanding of the mechanism of isotropies and anisotropies in the responses and fluctuations will lead to a better appreciation of these violations of the FDT, as well as certain consequent modifications to the concept of an effective temperature.

cond-mat.soft↗

arXiv2011

Dynamical heterogeneity in a highly supercooled liquid: Consistent calculations of correlation length, intensity, and lifetime

We have investigated dynamical heterogeneity in a highly supercooled liquid using molecular-dynamics simulations in three dimensions. Dynamical heterogeneity can be characterized by three quantities: correlation length $ξ_4$, intensity $χ_4$, and lifetime $τ_{\text{hetero}}$. We evaluated all three quantities consistently from a single order parameter. In a previous study (H. Mizuno and R. Yamamoto, Phys. Rev. E {\bf 82}, 030501(R) (2010)), we examined the lifetime $τ_{\text{hetero}}(t)$ in two time intervals $t=τ_α$ and $τ_{\text{ngp}}$, where $τ_α$ is the $α$-relaxation time and $τ_{\text{ngp}}$ is the time at which the non-Gaussian parameter of the Van Hove self-correlation function is maximized. In the present study, in addition to the lifetime $τ_{\text{hetero}}(t)$, we evaluated the correlation length $ξ_4(t)$ and the intensity $χ_4(t)$ from the same order parameter used for the lifetime $τ_{\text{hetero}}(t)$. We found that as the temperature decreases, the lifetime $τ_{\text{hetero}}(t)$ grows dramatically, whereas the correlation length $ξ_4(t)$ and the intensity $χ_4(t)$ increase slowly compared to $τ_{\text{hetero}}(t)$ or plateaus. Furthermore, we investigated the lifetime $τ_{\text{hetero}}(t)$ in more detail. We examined the time-interval dependence of the lifetime $τ_{\text{hetero}}(t)$ and found that as the time interval $t$ increases, $τ_{\text{hetero}}(t)$ monotonically becomes longer and plateaus at the relaxation time of the two-point density correlation function. At the large time intervals for which $τ_{\text{hetero}}(t)$ plateaus, the heterogeneous dynamics migrate in space with a diffusion mechanism, such as the particle density.

cond-mat.soft↗

arXiv2010

Lifetime of dynamical heterogeneity in a highly supercooled liquid

We numerically examine dynamical heterogeneity in a highly supercooled three-dimensional liquid via molecular-dynamics simulations. To define the local dynamics, we consider two time intervals, $τ_α$ and $τ_{\text{ngp}}$. $τ_α$ is the $α$ relaxation time, and $τ_{\text{ngp}}$ is the time at which non-Gaussian parameter of the van Hove self-correlation function is maximized. We determine the lifetimes of the heterogeneous dynamics in these two different time intervals, $τ_{\text{hetero}}(τ_α)$ and $τ_{\text{hetero}}(τ_{\text{ngp}})$, by calculating the time correlation function of the particle dynamics, i.e., the four-point correlation function. We find that the difference between $τ_{\text{hetero}}(τ_α)$ and $τ_{\text{hetero}}(τ_{\text{ngp}})$ increases with decreasing temperature. At low temperatures, $τ_{\text{hetero}}(τ_α)$ is considerably larger than $τ_α$, while $τ_{\text{hetero}}(τ_{\text{ngp}})$ remains comparable to $τ_α$. Thus, the lifetime of the heterogeneous dynamics depends strongly on the time interval.

cond-mat.soft↗