arXiv subjects

Hideyuki Mizuno

Publications and source records attributed to Hideyuki Mizuno.

At least 55 records · Page 3Linked to original sources

arXiv2020

Mechanical and Vibrational Properties of Three-Dimensional Dimer Packings Near the Jamming Transition

We comprehensively study mechanical and vibrational properties of dimer packings in three-dimensional space with particular attention on critical scaling behaviors near the jamming transition. First, we confirm the dependence of the packing fraction at the transition on the aspect ratio, the isostatic contact number at the transition, and the scaling dependence of the excess contact number on the excess density. Second, we study the elastic moduli, bulk and shear moduli, and establish power-law scaling of them. Finally, we study the vibrational density of states and its characteristic frequency. The vibrational density of states shows two plateaus in the lower- and higher-frequency regions, which are characterized by rotational and translational vibrational modes, respectively. The onset frequency of the lower-frequency plateau scales linearly to the square root of excess density. The scaling laws in the mechanical and vibrational properties are consistent between two- and three-dimensional dimers, and they are identical to those in spheres.

cond-mat.soft↗

arXiv2019

Anharmonic properties of vibrational excitations in amorphous solids

Understanding the vibrational and thermal properties of amorphous solids is one of the most discussed and long-standing issues in condensed matter physics. Recent works have made significant steps towards understanding harmonic vibrational states. In particular, it has been established that quasi-localized vibrational modes emerge in addition to phonon-like vibrational modes. In this work, we study the anharmonic properties of these vibrational modes. We find that vibrational modes exhibit anharmonicities that induce particle rearrangements and cause transitions to different states. These anharmonicities are distinct from those in crystals, where particle rearrangements never occur. Remarkably, for both the phonon modes and quasi-localized modes, the vibrational modes exhibit strong anharmonicities, and the induced particle rearrangements are always localized in space and are composed of 1 to 1000 particles. Our findings contribute to the understanding of low-temperature thermal properties, for which anharmonic vibrations are crucial.

cond-mat.soft↗

arXiv2019

Low-frequency vibrations of jammed packings in large spatial dimensions

Amorphous packings prepared in the vicinity of the jamming transition play a central role in theoretical studies of the vibrational spectrum of glasses. Two mean-field theories predict that the vibrational density of states $g(ω)$ obeys a characteristic power law, $g(ω)\simω^2$, called the non-Debye scaling in the low-frequency region. Numerical studies have however reported that this scaling breaks down at low frequencies, due to finite dimensional effects. In this study, we prepare amorphous packings of up to $128000$ particles in spatial dimensions from $d=3$ to $d=9$ to characterise the range of validity of the non-Debye scaling. Our numerical results suggest that the non-Debye scaling is obeyed down to a frequency that gradually decreases as $d$ increases, and possibly vanishes for large $d$, in agreement with mean-field predictions. We also show that the prestress is an efficient control parameter to quantitatively compare packings across different spatial dimensions.

cond-mat.soft↗

arXiv2019

Detection of boson peak and fractal dynamics of disordered system using terahertz spectroscopy

Disordered systems exhibit universal excitation, referred to as the boson peak, in the terahertz region. Meanwhile, the so-called fracton is expected to appear in the nanoscale region owing to the self-similar structure of monomers in polymeric glasses. We demonstrate that such excitations can be detected using terahertz spectroscopy. For the interaction between terahertz light and the vibrational density of states of the fractal structure, we formulate an infrared light-vibration coupling coefficient for the fracton region. Accordingly, we show that information concerning fractal and fracton dimensions appears in the exponent of the absorption coefficient. Finally, using terahertz time-domain spectroscopy and low-frequency Raman scattering, we experimentally observe these universal excitations in a protein lysozyme system that has an intrinsically disordered and self-similar nature in a single supramolecule. These findings are applicable to disordered and polymeric glasses in general and will be key to understanding universal dynamics of disordered systems by terahertz light.

cond-mat.mtrl-sci↗

arXiv2019

Boson peak, elasticity, and glass transition temperature in polymer glasses: Effects of the rigidity of chain bending

The excess low-frequency vibrational spectrum, called boson peak, and non-affine elastic response are the most important particularities of glasses. Herein, the vibrational and mechanical properties of polymeric glasses are examined by using coarse-grained molecular dynamics simulations, with particular attention to the effects of the bending rigidity of the polymer chains. As the rigidity increases, the system undergoes a glass transition at a higher temperature (under a constant pressure), which decreases the density of the glass phase. The elastic moduli, which are controlled by the decrease of the density and the increase of the rigidity, show a non-monotonic dependence on the rigidity of the polymer chain that arises from the non-affine component. Moreover, a clear boson peak is observed in the vibrational density of states, which depends on the macroscopic shear modulus $G$. In particular, the boson peak frequency is scaled as $ω_\mathrm{BP} \propto \sqrt{G}$. These results provide a positive correlation between the boson peak, shear elasticity, and the glass transition temperature.

cond-mat.soft↗

arXiv2019

Vibrational spectrum derived from the local mechanical response in disordered solids

The low-frequency vibrations of glasses are markedly different from those of crystals. These vibrations have recently been categorized into two types: spatially extended vibrations, whose vibrational density of states (vDOS) follows a non-Debye quadratic law, and quasilocalized vibrations (QLVs), whose vDOS follows a quartic law. The former are explained by elasticity theory with quenched disorder and microscopic replica theory as being a consequence of elastic instability, but the origin of the latter is still debated. Here, we show that the latter can also be directly derived from elasticity theory with quenched disorder. We find another elastic instability that the theory encompasses but that has been overlooked so far, namely, the instability of the system against a local dipolar force. This instability gives rise to an additional contribution to the vDOS, and the spatial structure and energetics of the mode originating from this instability are consistent with those of the QLVs. Finally, we construct a model in which the additional contribution to the vDOS follows a quartic law.

cond-mat.soft↗

arXiv2019

Vibrational properties of two-dimensional dimer packings near the jamming transition

Jammed particulate systems composed of various shapes of particles undergo the jamming transition as they are compressed or decompressed. To date, sphere packings have been extensively studied in many previous works, where isostaticity at the transition and scaling laws with the pressure of various quantities, including the contact number and the vibrational density of states, have been established. Additionally, much attention has been paid to nonspherical packings, and particularly recent work has made progress in understanding ellipsoidal packings. In the present work, we study the dimer packings in two dimensions, which have been much less understood than systems of spheres and ellipsoids. We first study the contact number of dimers near the jamming transition. It turns out that packings of dimers have "rotational rattlers", each of which still has a free rotational motion. After correcting this effect, we show that dimers become isostatic at the jamming, and the excess contact number obeys the same critical law and finite size scaling law as those of spheres. We next study the vibrational properties of dimers near the transition. We find that the vibrational density of states of dimers exhibits two characteristic plateaus that are separated by a peak. The high-frequency plateau is dominated by the translational degree of freedom, while the low-frequency plateau is dominated by the rotational degree of freedom. We establish the critical scaling laws of the characteristic frequencies of the plateaus and the peak near the transition. In addition, we present detailed characterizations of the real space displacement fields of vibrational modes in the translational and rotational plateaus.

cond-mat.soft↗

arXiv2019

Glassy dynamics of a model of bacterial cytoplasm with metabolic activities

Recent experiments have revealed that cytoplasms become glassy when their metabolism is suppressed, while they maintain fluidity in a living state. The mechanism of this active fluidization is not clear, especially for bacterial cytoplasms, since they lack traditional motor proteins, which can cause directed motions. We introduce a model of bacterial cytoplasm focusing on the impact of conformational change in proteins due to metabolism. In the model, proteins are treated as particles under thermal agitation, and conformation changes are treated as changes in particle volume. Simulations revealed that a small change in volume fluidizes the glassy state, accompanied by a change in fragility, as observed experimentally.

cond-mat.soft↗

arXiv2018

Phonon transport and vibrational excitations in amorphous solids

One of the long-standing issues concerning the thermal properties of amorphous solids is the complex pattern of phonon transport. Recent advances in experiments and computer simulations have indicated a crossover from Rayleigh scattering to viscous damping. A number of theories have been proposed, yet critical tests are missing and the validity of these theories is unclear. In particular, the precise location of the crossover frequency remains controversial, and more critically, even the validity of the Rayleigh scattering itself has been seriously questioned. The present work settles these issues by using information on the underlying vibrational eigenmodes. Vibrational eigenmodes were recently clarified over a wide frequency regime: a mixture of phonon modes and soft localized modes in the continuum limit and disordered and extended modes in the boson peak regime. Here, we demonstrate that Rayleigh scattering occurs in the continuum limit and viscous damping occurs in the boson peak regime, and these behaviors are therefore linked to the underlying eigenmodes in the corresponding frequency regimes. Our results unambiguously determine the crossover frequency. Furthermore, we establish characteristic scaling laws of phonon transport, which are consistent with the prediction of the mean-field theory at higher frequencies but inconsistent in the low-frequency, Rayleigh scattering regime. Our results therefore reveal crucial issues to be solved with regard to the current theory.

cond-mat.soft↗

arXiv2018

Technical Note: Reconstruction of physical and biological dose distributions of carbon-ion beam through deconvolution of longitudinal dosimeter responses

Purpose: This is a theoretical simulation study for proof of concept of radiochromic film dosimetry to measure physical and biological doses without plan-based quenching correction for patient-specific quality assurance of carbon-ion radiotherapy. Methods: We took a layer-stacking carbon-ion beam comprised of range-shifted beamlets. The dosimeter response was simulated according to an experimental quenching model. The beam model followed a treatment planning system. The beam was decomposed into finely arranged beamlets with weights estimated by deconvolution of longitudinal dosimeter responses. The distributions of physical and biological doses were reconstructed from the estimated weights, and were compared with the plan. We also evaluated the sensitivity to measurement errors and to erratic delivery with an undelivered beamlet. Results: The reconstructed physical and biological doses accurately reproduced the simulated delivery with errors approximately corresponding to the measurement errors. The erratic beam delivery was easily detectable by comparison of biological dose distribution to the plan. Conclusions: We have developed a method to measure physical and biological doses by longitudinal dosimetry of quenched response without using plan data. The method only involves a general optimization algorithm, a radiobiology model, and experimental beamlet data, and requires no extra corrections. Theoretically, this approach is applicable to various dosimeters and to proton and ion beams of any delivery method, regardless of quenching or biological effectiveness.

physics.med-ph↗

arXiv2018

Spatial structure of quasi-localized vibrations in nearly jammed amorphous solids

The low-temperature properties of amorphous solids are widely believed to be controlled by low-frequency quasi-localized modes. What governs their spatial structure and density is however debated. We study these questions numerically in very large systems as the jamming transition is approached and the pressure p vanishes. We find that these modes consist of an unstable core in which particles undergo the buckling motions and decrease the energy, and a stable far-field component which increases the energy and prevents the buckling of the core. The size of the core diverges as $p^{-1/4}$ and its characteristic volume as $p^{-1/2}$ These features are precisely those of the anomalous modes known to cause the Boson peak in the vibrational spectrum of weakly-coordinated materials. From this correspondence we deduce that the density of quasi-localized modes must go as $g_{\mathrm{loc}}(ω) \sim ω^4/p^2$ , in agreement with previous observations. Our analysis thus unravels the nature of quasi-localized modes in a class of amorphous materials.

cond-mat.dis-nn↗

arXiv2017

Anomalous vibrational properties in the continuum limit of glasses

The low-temperature thermal properties of glasses are anomalous with respect to those of crystals. These thermal anomalies indicate that the low-frequency vibrational properties of glasses differ from those of crystals. Recent studies revealed that, in the simplest model of glasses, i.e., the harmonic potential system, phonon modes coexist with soft localized modes in the low-frequency (continuum) limit. However, the nature of low-frequency vibrational modes of more realistic models is still controversial. In the present work, we study the Lennard-Jones (LJ) system using large-scale molecular-dynamics (MD) simulation and establish that the vibrational property of the LJ glass converges to coexistence of the phonon modes and the soft localized modes in the continuum limit as in the case of the harmonic potential system. Importantly, we find that the low-frequency vibrations are rather sensitive to the numerical scheme of potential truncation which is usually implemented in the MD simulation, and this is the reason why contradictory arguments have been reported by previous works. We also discuss the physical origin of this sensitiveness by means of a linear stability analysis.

cond-mat.soft↗

arXiv2017

Continuum limit of the vibrational properties of amorphous solids

The low-frequency vibrational and low-temperature thermal properties of amorphous solids are markedly different from those of crystalline solids. This situation is counter-intuitive because any solid material is expected to behave as a homogeneous elastic body in the continuum limit, in which vibrational modes are phonons following the Debye law. A number of phenomenological explanations have been proposed, which assume elastic heterogeneities, soft localized vibrations, and so on. Recently, the microscopic mean-field theories have been developed to predict the universal non-Debye scaling law. Considering these theoretical arguments, it is absolutely necessary to directly observe the nature of the low-frequency vibrations of amorphous solids and determine the laws that such vibrations obey. Here, we perform an extremely large-scale vibrational mode analysis of a model amorphous solid. We find that the scaling law predicted by the mean-field theory is violated at low frequency, and in the continuum limit, the vibrational modes converge to a mixture of phonon modes following the Debye law and soft localized modes following another universal non-Debye scaling law.

cond-mat.soft↗

arXiv2016

Relation of vibrational excitations and thermal conductivity to elastic heterogeneities in disordered solids

In crystals, molecules thermally vibrate around the periodic lattice sites. Vibrational motions are well understood in terms of phonons, which carry heat and control heat transport. The situation is notably different in disordered solids, where vibrational excitations are not phonons and can be even localized. Recent numerical work has established the concept of elastic heterogeneity: disordered solids show inhomogeneous local mechanical response. Clearly, the heterogeneous nature of elastic properties strongly influences vibrational and thermal properties, and it is expected to be the origin of anomalous features, including boson peak, vibrational localization, and temperature dependence of thermal conductivity. These are all crucial long-standing problems in materials physics, which we address in the present work. We have considered a toy model able to stabilize different states of matter, by introducing an increasing amount of size disorder. The phase diagram generated by molecular dynamics simulations encompasses the perfect crystalline state with a spatially homogeneous elastic moduli distribution, multiple defective phases with increasing moduli heterogeneities, and eventually a series of amorphous states. We have established clear correlations among the heterogeneous local mechanical response, vibrational states, and thermal conductivity. We provide evidence that elastic heterogeneity controls both vibrational and thermal properties, and is a key concept to understand the anomalous puzzling features of disordered solids.

cond-mat.soft↗

arXiv2016

Elastic Moduli and Vibrational Modes in Jammed Particulate Packings

When we elastically impose a homogeneous, affine deformation on amorphous solids, they also undergo an inhomogeneous, non-affine deformation, which can have a crucial impact on the overall elastic response. To correctly understand the elastic modulus $M$, it is therefore necessary to take into account not only the affine modulus $M_A$, but also the non-affine modulus $M_N$ that arises from the non-affine deformation. In the present work, we study the bulk ($M=K$) and shear ($M=G$) moduli in static jammed particulate packings over a range of packing fractions $φ$. One novelty of this work is to elucidate the contribution of each vibrational mode to the non-affine $M_N$ through a modal decomposition of the displacement and force fields. In the vicinity of the (un)jamming transition, $φ_{c}$, the vibrational density of states, $g(ω)$, shows a plateau in the intermediate frequency regime above a characteristic frequency $ω^\ast$. We illustrate that this unusual feature apparent in $g(ω)$ is reflected in the behavior of $M_N$: As $φ\rightarrow φ_c$, where $ω^\ast \rightarrow 0$, those modes for $ω< ω^\ast$ contribute less and less, while contributions from those for $ω> ω^\ast$ approach a constant value which results in $M_N$ to approach a critical value $M_{Nc}$, as $M_N-M_{Nc} \sim ω^\ast$. At $φ_c$ itself, the bulk modulus attains a finite value $K_c=K_{Ac}-K_{Nc} > 0$, such that $K_{Nc}$ has a value that remains below $K_{Ac}$. In contrast, for the critical shear modulus $G_c$, $G_{Nc}$ and $G_{Ac}$ approach the same value so that the total value becomes exactly zero, $G_c = G_{Ac}-G_{Nc} =0$. We explore what features of the configurational and vibrational properties cause such the distinction between $K$ and $G$, allowing us to validate analytical expressions for their critical values.

cond-mat.soft↗

arXiv2016

Cut-off nonlinearities in the low-temperature vibrations of glasses and crystals

We present a computer simulation study of glassy and crystalline states using the standard Lennard-Jones interaction potential that is truncated at a finite cut-off distance, as is typical of many computer simulations. We demonstrate that the discontinuity at the cut-off distance in the first derivative of the potential (corresponding to the interparticle force) leads to the appearance of cut-off nonlinearities. These cut-off nonlinearities persist into the very-low-temperature regime thereby affecting low-temperature thermal vibrations, which leads to a breakdown of the harmonic approximation for many eigen modes, particularly for low-frequency vibrational modes. Furthermore, while expansion nonlinearities which are due to higher order terms in the Taylor expansion of the interaction potential are usually ignored at low temperatures and show up as the temperature increases, cut-off nonlinearities can become most significant at the lowest temperatures. Anharmonic effects readily show up in the elastic moduli which not only depend on the eigen frequencies, but are crucially sensitive to the eigen vectors of the normal modes. Whereas, those observables that rely mainly on static structural information or just the eigen frequencies, such as the vibrational density of states, total potential energy, and specific heat, show negligible dependence on the presence of the cut-off. Similar aspects of nonlinear behavior have recently been reported in model granular materials, where the constituent particles interact through finite-range, purely-repulsive potentials. These nonlinearities have been ascribed to the nature of the sudden cut-off at contact in the force-law, thus we demonstrate that cut-off nonlinearities emerge as a general feature of ordered and disordered solid state systems interacting through truncated potentials.

cond-mat.soft↗

arXiv2016

Spatial Distributions of Local Elastic Moduli Near the Jamming Transition

Recent progress on studies of the nanoscale mechanical responses in disordered systems has highlighted a strong degree of heterogeneity in the elastic moduli. In this contribution, using computer simulations, we study the elastic heterogeneities in athermal amorphous solids, composed of isotropic, static, sphere packings, near the jamming transition. We employ techniques, based on linear response methods, that are amenable to experimentation. We find that the local elastic moduli are randomly distributed in space and are described by Gaussian probability distributions, thereby lacking any significant spatial correlations, that persists all the way down to the transition point. However, the shear modulus fluctuations grow as the jamming threshold is approached, which is characterized by a new power-law scaling. Through this diverging behavior we are able to identify a characteristic length scale, associated with shear modulus heterogeneities, that distinguishes between bulk and local elastic responses.

cond-mat.soft↗

arXiv2015

Beating the amorphous limit in thermal conductivity by superlattices design

The value measured in the amorphous structure with the same chemical composition is often considered as a lower bound for the thermal conductivity of any material: the heat carriers are strongly scattered by disorder, and their lifetimes reach the minimum time scale of thermal vibrations. An appropriate design at the nano-scale, however, may allow one to reduce the thermal conductivity even below the amorphous limit. In the present contribution, using molecular-dynamics simulation and the Green-Kubo formulation, we study systematically the thermal conductivity of layered phononic materials (superlattices), by tuning different parameters that can characterize such structures. We discover that the key to reach a lower-than-amorphous thermal conductivity is to block almost completely the propagation of the heat carriers, the superlattice phonons. We demonstrate that a large mass difference in the two intercalated layers, or weakened interactions across the interface between layers result in materials with very low thermal conductivity, below the values of the corresponding amorphous counterparts.

cond-mat.mtrl-sci↗