We study excitations of atomic vibrations in the reciprocal space for amorphous solids. There are two kinds of excitations we obtained, collective excitation and local excitation. The collective excitation is the collective vibration of atoms in the amorphous solids while the local excitation is stimulated locally by a single atom vibrating in the solids. We introduce a continuous wave vector for the study and transform the equations of atomic vibrations from the real space to the reciprocal space. We take the amorphous silicon as an example and calculate the structures of the excitations in the reciprocal space. Results show that an excitation is a wave packet composed of a collection of plane waves. We also find a periodical structure in the reciprocal space for the collective excitation with longitudinal vibrations, which is originated from the local order of the structure in the real space of the amorphous solid.
We show that harmonic vibrations in amorphous silicon can be decomposed to transverse and longitudinal components in all frequency range even in the absence of the well defined wave vector ${\bf q}$. For this purpose we define the transverse component of the eigenvector with given $ω$ as a component, which does not change the volumes of Voronoi cells around atoms. The longitudinal component is the remaining orthogonal component. We have found the longitudinal and transverse components of the vibrational density of states for numerical model of amorphous silicon. The vibrations are mostly trans…
We show that viscoelastic effects play a crucial role in the damping of vibrational modes in harmonic amorphous solids. The relaxation of a given plane wave is described by a memory function of a semi-infinite one-dimensions mass-spring chain. The initial vibrational energy spreads from the first site of the chain to infinity. In the beginning of the chain, there is a barrier, which significantly reduces the decay of vibrational energy below the Ioffe-Regel frequency. To obtain the parameters of the chain, we present a numerically stable method, based on the Chebyshev expansion of the local vi…
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 it…
Amorphous solids at low temperature display unusual features which have been escaped a clear and unified comprehension. In recent years a mean field theory of amorphous solids constructed in the limit of infinite spatial dimensions has been proposed. I will briefly review what is the outcome of this theory focusing the low temperature phase and discuss some perspectives to go beyond the mean field limit.
We present a random matrix approach to study general vibrational properties of stable amorphous solids with translational invariance using the correlated Wishart ensemble. Within this approach, both analytical and numerical methods can be applied. Using the random matrix theory, we found the analytical form of the vibrational density of states and the dynamical structure factor. We demonstrate the presence of the Ioffe-Regel crossover between low-frequency propagating phonons and diffusons at higher frequencies. The reduced vibrational density of states shows the boson peak, which frequency is…
Quantum effects on the atom delocalization in amorphous silicon have been studied by path-integral Monte Carlo simulations from 30 to 800 K. The quantum delocalization is appreciable vs. topological disorder, as seen from structural observables such as the radial distribution function (RDF). At low temperatures, the width of the first peak in the RDF increases by a factor of 1.5 due to quantum effects. The overall anharmonicity of the solid vibrations at finite temperatures in amorphous silicon is clearly larger than in the crystalline material. Low-energy vibrational modes are mainly located …
Thermal atomic vibrations in amorphous solids can be distinguished by whether they propagate as elastic waves or do not propagate due to lack of atomic periodicity. In a-Si, prior works concluded that non-propagating waves are the dominant contributors to heat transport, while propagating waves are restricted to frequencies less than a few THz and are scattered by anharmonicity. Here, we present a lattice and molecular dynamics analysis of vibrations in a-Si that supports a qualitatively different picture in which propagating elastic waves dominate the thermal conduction and are scattered by e…
Amorphous solids increase their stress as a function of an applied strain until a mechanical yield point whereupon the stress cannot increase anymore, afterwards exhibiting a steady state with a constant mean stress. In stress controlled experiments the system simply breaks when pushed beyond this mean stress. The ubiquity of this phenomenon over a huge variety of amorphous solids calls for a generic theory that is free of microscopic details. Here we offer such a theory: the mechanical yield is a thermodynamic phase transition, where yield occurs as a spinodal phenomenon. At the spinodal poin…
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.…
Numerical studies of amorphous silicon show that the lowest 4% of vibrational modes are plane-wave like ("propagons") and the highest 3% of modes are localized ("locons"). The rest are neither plane-wave like nor localized. We call them "diffusons." Since diffusons are by far the most numerous, we try to characterize them by calculating such properties as wavevector and polarization (which seem not to be useful), "phase quotient" (a measure of the change of vibrational phase on between first neighbor atoms), spatial polarization memory, and diffusivity. Localized states are characterized by fi…
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 anha…
Tunneling two-level systems (TLSs), generic to amorphous solids, dictate the low-temperature properties of amorphous solids and dominate noise and decoherence in quantum nano-devices. The properties of the TLSs are generally described by the phenomenological standard tunneling model. Yet, significant deviations from the predictions of this model found experimentally suggest the need for a more precise model in describing TLSs. Here we show that the temperature dependence of the sound velocity, dielectric constant, specific heat, and thermal conductivity, can be explained using an energy-depend…
We present a tight-binding calculation that, for the first time, accurately describes the structural, vibrational and elastic properties of amorphous silicon. We compute the interatomic force constants and find an unphysical feature of the Stillinger-Weber empirical potential that correlates with a much noted error in the radial distribution function associated with that potential. We also find that the intrinsic first peak of the radial distribution function is asymmetric, contrary to usual assumptions made in the analysis of diffraction data. We use our results for the normal mode frequencie…
A random matrix approach is used to analyze the vibrational properties of amorphous solids. We investigated a dynamical matrix M=AA^T with non-negative eigenvalues. The matrix A is an arbitrary real NxN sparse random matrix with n independent non-zero elements in each row. The average values <A_{ij}>=0 and dispersion <A_{ij}^2>=V^2 for all non-zero elements. The density of vibrational states g(w) of the matrix M for N,n >> 1 is given by the Wigner quarter circle law with radius independent of N. We argue that for n^2 << N this model can be used to describe the interaction of atoms in amorphous…
The article describes an experimental method that allows to estimate the inhomogeneous and homogeneous linewidths of the photoluminescence band of a point defect in an amorphous solid. We performed low temperature time-resolved luminescence measurements on two defects chosen as model systems for our analysis: extrinsic Oxygen Deficient Centers (ODC(II)) in amorphous silica and F+ 3 centers in crystalline Lithium Fluoride. Measurements evidence that only defects embedded in the amorphous matrix feature a dependence of the radiative decay lifetime on the emission energy and a time dependence of …
Low-temperature properties of crystalline solids can be understood using harmonic perturbations around a perfect lattice, as in Debye's theory. Low-temperature properties of amorphous solids, however, strongly depart from such descriptions, displaying enhanced transport, activated slow dynamics across energy barriers, excess vibrational modes with respect to Debye's theory (i.e., a Boson Peak), and complex irreversible responses to small mechanical deformations. These experimental observations indirectly suggest that the dynamics of amorphous solids becomes anomalous at low temperatures. Here,…
Glasses have a large excess of low-frequency vibrational modes in comparison with crystalline solids. We show that such a feature is a necessary consequence of the geometry generic to weakly connected solids. In particular, we analyze the density of states of a recently simulated system, comprised of weakly compressed spheres at zero temperature. We account for the observed a) constancy of the density of modes with frequency, b) appearance of a low-frequency cutoff, and c) power-law increase of this cutoff with compression. We predict a length scale below which vibrations are very different fr…
Force-constant and positional disorder have been introduced into diamond lattice models in an attempt to mimic the vibrational properties of a realistic amorphous silicon model. Neither type of disorder is sufficient on its own to mimic the realistic model. By comparing the spectral densities of these models, it is shown that a combination of both disorders is a better representation, but still not completely satisfactory. Topological disorder in these models was investigated by renumbering the atoms and examining the dynamical matrix graphically. The dynamical matrix of the realistic model is…
Numerical studies of amorphous silicon in harmonic approximation show that the highest 3.5% of vibrational normal modes are localized. As vibrational frequency increases through the boundary separating localized from delocalized modes, near omega_c=70meV, (the "mobility edge") there is a localization-delocalization (LD) transition, similar to a second-order thermodynamic phase transition. By a numerical study on a system with 4096 atoms, we are able to see exponential decay lengths of exact vibrational eigenstates, and test whether or not these diverge at omega_c. Results are consistent with a…
We use empirical molecular dynamics technique to study the low-energy vibrations in a large 4096 atom model for pure amorphous silicon and a set of models with voids of different size based on it. Numerical vibrational eigenvalues and eigenvectors for our models are obtained by exact diagonalization of their dynamical matrices. Our calculations show that localized low-energy vibrational excitations of rather complex structure are present in amorphous silicon models with voids. According to their spatial localization patterns we make an attempt to classify these excitations as modes associated …
Highly acurate numerical simulations are employed to highlight the subtle but important differences in the mechanical stability of perfect crystalline solids versus amorphous solids. We stress the difference between strain values at which the shear modulus vanishes and strain values at which a plastic instability insues. The temperature dependence of the yield strain is computed for the two types of solids, showing different scaling laws: $γ_{_{Y}}\simeq γ_{_{Y}}^{0}-C_1 T^{1/3}$ for crystals versus $γ_{_{Y}}\simeq γ_{_{Y}}^{0}- C_2 T^{2/3}$ for amorphous solids.
The question of the local stability of the (replica-symmetric) amorphous solid state is addressed for a class of systems undergoing a continuous liquid to amorphous-solid phase transition driven by the effect of random constraints. The Hessian matrix, associated with infinitesimal fluctuations around the stationary point corresponding to the amorphous solid state, is obtained. The eigenvalues of this Hessian matrix are all shown to be strictly positive near the transition, except for one--the zero mode associated with the spontaneously broken continuous translational symmetry of the system. Th…
The distribution of local residual stresses (threshold to instability) that controls the statistical properties of plastic flow in athermal amorphous solids is examined with an atomistic simulation technique. For quiescent configurations, the distribution has a pseudogap (power-law) form with an exponent that agrees well with global yielding statistics. As soon as deformation sets in, the pseudogap region gives way to a system size dependent plateau at small residual stresses that can be understood from the statistics of local residual stress {\em differences} between plastic events. Results f…
Recent theoretical studies of amorphous silicon [Y. Pan et al. Phys. Rev. Lett. 100 206403 (2008)] have revealed subtle but significant structural correlations in network topology: the tendency for short (long) bonds to be spatially correlated with other short (long) bonds). These structures were linked to the electronic band tails in the optical gap. In this paper, we further examine these issues for amorphous silicon, and demonstrate that analogous correlations exist in amorphous SiO2, and in the organic molecule, b-carotene. We conclude with a discussion of the origin of the effects and its…
We identify the possibility of realizing higher order topological (HOT) phases in noncrystalline or amorphous materials. Starting from two and three dimensional crystalline HOT insulators, accommodating topological corner states, we gradually enhance structural randomness in the system. Within a parameter regime, as long as amorphousness is confined by outer crystalline boundary, the system continues to host corner states, yielding amorphous HOT insulators. However, as structural disorder percolates to the edges, corner states start to dissolve into amorphous bulk, and ultimately the system be…
What characterises a solid is its way to respond to external stresses. Ordered solids, such crystals, display an elastic regime followed by a plastic one, both well understood microscopically in terms of lattice distortion and dislocations. For amorphous solids the situation is instead less clear, and the microscopic understanding of the response to deformation and stress is a very active research topic. Several studies have revealed that even in the elastic regime the response is very jerky at low temperature, resembling very much the one of disordered magnetic materials. Here we show that in…
The phonon spectra of solids, described through the measurable vibrational density of states (VDOS), provide a wealth of information about the underlying atomic structure and bonding, and they determine fundamental macroscopic properties such as specific heat, thermal conductivity and superconductivity. In amorphous solids, structural disorder generates a number of poorly understood phenomena that are absent in crystals. Starting from an effective field theory description which accounts for disorder in terms of momentum diffusion, we provide a unified theoretical description of the VDOS of amo…
Amorphous solids display numerous universal features in their mechanics, structure, and response. Current models assume heterogeneity in mesoscale elastic properties, but require fine-tuning in order to quantitatively explain vibrational properties. A complete model should derive the magnitude and character of elastic heterogeneity from an initially structureless medium, through a model of the quenching process during which the temperature is rapidly lowered and the solid is formed. Here we propose a field-theoretic model of a quench, and compute structural, mechanical, and vibrational observa…
The first two successful predictions for amorphous solid experiments by tunneling-two-level-system (TTLS) was phonon echo and saturation phenomena. In this paper by generalizing TTLS to infinite-level-system model with certain randomness and nonlinearity, we prove that phonon echo is a stimulated emission process. The classical infinite-level-system (taking $\hbar\to 0$ limit) cannot find saturation effect, while quantum infinite-level-system can find it with certain nonlinearity assumed. We also prove that without randomness or nonlinearity neither phonon echo nor saturation exists in arbitra…
Goldstone modes in the amorphous solid state, resulting from the spontaneous breaking of translational symmetry due to random localisation of particles, are discussed. Starting from a microscopic model with quenched disorder, the broken symmetry is identified to be that of relative translations of the replicas. Goldstone excitations, corresponding to pure shear deformations, are constructed from long wavelength distortions of the order parameter. The elastic free energy is computed, and it is shown that Goldstone fluctuations destroy localisation in two spatial dimensions, yielding a two-dimen…
We derive a phase diagram for amorphous solids and liquid supercooled water and explain why the amorphous solids of water exist in several different forms. Application of large-deviation theory allows us to prepare such phases in computer simulations. Along with nonequilibrium transitions between the ergodic liquid and two distinct amorphous solids, we establish coexistence between these two amorphous solids. The phase diagram we predict includes a nonequilibrium triple point where two amorphous phases and the liquid coexist. While the amorphous solids are long-lived and slowly-aging glasses, …
We study energy minimized configurations of amorphous solids with a simple shear degree of freedom. We show that the low-frequency regime of the vibrational density of states of structural glass formers is crucially sensitive to the stress-ensemble from which the configurations are sampled. In both two and three dimensions, a shear-stabilized ensemble displays a $D(ω_{\min}) \sim ω^{5}_{\min}$ regime, as opposed to the $ω^{4}_{\min}$ regime observed under unstrained conditions. We also study an ensemble of two dimensional, strained amorphous solids near a plastic event. We show that the minimu…
The vibrational spectra of solids, both ordered and amorphous, in the low-energy regime, control the thermal and transport properties of materials, from heat capacity to heat conduction, electron-phonon couplings, conventional superconductivity etc. The old Debye model of vibrational spectra at low energy gives the vibrational density of states (VDOS) as proportional to the frequency squared, but in many materials the spectrum departs from this law which results in a peak upon normalizing the VDOS by frequency squared, which is known as the "boson peak". A description of the VDOS of solids (bo…
We derive expressions for the shear modulus of deeply-quenched, glassy solids, in terms of a Cauchy-Born free energy expansion around a rigid (quenched) reference state, following the approach due to Alexander [Alexander, Phys. Rep. 296, 1998]. Continuum-limit explicit expressions of the shear modulus are derived starting from the microscopic Hamiltonians of central and bond-bending interactions. The applicability of the expressions to dense covalent glasses as well as colloidal glasses with strongly attractive and adhesive bonds is discussed.
The understanding of dynamic failure in amorphous materials via the propagation of free boundaries like cracks and voids must go beyond elasticity theory, since plasticity intervenes in a crucial and poorly understood manner near the moving free boundary. In this Letter we focus on failure via a cavitation instability in a radially-symmetric stressed material, set up the free boundary dynamics taking both elasticity and visco-plasticity into account, using the recently proposed athermal Shear Transformation Zone theory. We demonstrate the existence (in amorphous systems) of fast cavitation mod…
We investigate the linear elastic response of amorphous solids to a shear strain at zero temperature. We find that the response is characterized by at least two distinct shear moduli. The first one, $μ_{\rm ZFC}$, is associated with the linear response of a single energy minimum. The second, $μ_{\rm FC}$, is related to sampling, through plastic events, an ensemble of distinct energy minima. We provide examples of protocols that allow one to measure both shear moduli. In agreement with a theoretical prediction based on the exact solution in infinite spatial dimensions, the ratio $μ_{\rm FC}/μ_{…
In sufficiently high spatial dimensions, the formation of the amorphous (i.e. random) solid state of matter, e.g., upon sufficent crosslinking of a macromolecular fluid, involves particle localization and, concommitantly, the spontaneous breakdown of the (global, continuous) symmetry of translations. Correspondingly, the state supports Goldstone-type low energy, long wave-length fluctuations, the structure and implications of which are identified and explored from the perspective of an appropriate replica field theory. In terms of this replica perspective, the lost symmetry is that of relative…
Prestress in amorphous solids bears the memory of their formation, and plays a profound role in their mechanical properties, from stiffening or softening elastic moduli to shifting frequencies of vibrational modes, as well as directing yielding and solidification in the nonlinear regime. Here we develop a set of mathematical tools to investigate elasticity of prestressed discrete networks, which disentangles the effects from disorder in configuration and disorder in prestress. Applying these methods to prestressed triangular lattices and a computational model of amorphous solids, we demonstrat…
Plasticity in amorphous solids is mediated by localized quadrupolar instabilities, but the mechanism by which an amorphous solid eventually fails or melts is debated. In this work we argue that these phenomena can be investigated in the model problem of an elastic continuum with quadrupolar defects, at finite temperature. This problem is posed and the collective behavior of the defects is analytically investigated. Using both renormalization group and field-theoretic techniques, it is found that the model has a yielding/melting transition of spinodal type.
The high frequency dynamics of low- (LDA) and high-density amorphous-ice (HDA) and of cubic ice (I_c) has been measured by inelastic X-ray Scattering (IXS) in the 1-15 nm^{-1} momentum transfer (Q) range. Sharp phonon-like excitations are observed, and the longitudinal acoustic branch is identified up to Q = 8nm^{-1} in LDA and I_c and up to 5nm^{-1} in HDA. The narrow width of these excitations is in sharp contrast with the broad features observed in all amorphous systems studied so far. The "crystal-like" behavior of amorphous ices, therefore, implies a considerable reduction in the number o…
We have studied the statistics of plastic rearrangement events in a simulated amorphous solid at T=0. Events are characterized by the energy release and the ``slip volume'', the product of plastic strain and system volume. Their distributions for a given system size $L$ appear to be exponential, but a characteristic event size cannot be inferred, because the mean values of these quantities increase as $L^α$ with $α\sim 3/2$. In contrast to results obtained in 2D models, we do not see simply connected avalanches. The exponent suggests a fractal shape of the avalanches, which is also evidenced b…
Under sufficient permanent random covalent bonding, a fluid of atoms or small molecules is transformed into an amorphous solid network. Being amorphous, local structural properties in such networks vary across the sample. A natural order parameter, resulting from a statistical-mechanical approach, captures information concerning this heterogeneity via a certain joint probability distribution. This joint probability distribution describes the variations in the positional and orientational localization of the particles, reflecting the random environments experienced by them, as well as further i…
We discuss the strain dependence of the acoustic properties of amorphous metals in both normal and superconducting states, in the temperature range 0.1 mK $ \le T \le 1 $K. A crossover is found when the strain energy is of the order of the effective interaction energy between tunneling systems at the corresponding temperature. Our results provide clear evidence for the interaction between tunneling systems, whose energy is in quantitative agreement with theoretical expectations, and reveal that without the knowledge of the corresponding strain dependences, the measured temperature dependences …
The mechanical response of naturally abundant amorphous solids such as gels, jammed grains, and biological tissues are not described by the conventional paradigm of broken symmetry that defines crystalline elasticity. In contrast, the response of such athermal solids are governed by local conditions of mechanical equilibrium, i.e., force and torque balance of its constituents. Here we show that these constraints have the mathematical structure of a generalized electromagnetism, where the electrostatic limit successfully captures the anisotropic elasticity of amorphous solids. The emergence of …
Recently, progress has been made in the understanding of anomalous vibrational excitations in amorphous solids. In the lowest-frequency region, the vibrational spectrum follows a non-Debye quartic law, which persists up to zero frequency without any frequency gap. This gapless vibrational density of states (vDOS) suggests that glasses are on the verge of instability. This feature of marginal stability is now highlighted as a key concept in the theories of glasses. In particular, the elasticity theory based on marginal stability predicts the gapless vDOS. However, this theory yields a quadratic…
We propose a simple route to evaluate the static structure, in terms of average coordination, of completely disordered solids with spherical constituents, from ca. 55% volume fraction up to random close packing, in the absence of structural heterogeneities. Based on the current understanding, according to which the structure-determining interaction in amorphous solids is the hard-core repulsion while weaker, longer-range interactions are mere perturbations, the model yields the average coordination in the solid as a result of a hyperquenching process where the instantaneous structure of the pr…
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 is…
Rapidly cooling a liquid may result in a glass transition, creating an amorphous solid whose shear and bulk moduli are finite. Even when done with constant density, these resulting moduli depend strongly on the rate of cooling. Understanding this phenomenon calls for analyzing separately the "Born term" that exists also in perfectly ordered materials and the contributions of the "excess modes" that result from glassy disorder. We show that the Born term is very insensitive to the cooling rate, and all the variation in the shear modulus is due to the excess modes. We argue that this approach pr…
A theory of vibrational excitations based on power-law spatial correlations in the elastic constants (or equivalently in the internal stress) is derived, in order to determine the vibrational density of states $D(ω)$ of disordered solids. The results provide the first prediction of a boson peak in amorphous materials where spatial correlations in the internal stresses (or elastic constants) are of power-law form, as is often the case in experimental systems, leading to logarithmic enhancement of (Rayleigh) phonon attenuation. A logarithmic correction of the form $\sim -ω^{2}\lnω$ is predicted …
We perform an extensive numerical study of avalanche behavior in a 2D LJ glass at T=0, sheared at finite strain rates $\dotγ$. From the finite size analysis of stress fluctuations and of transverse diffusion we show that flip-flip correlations remain relevant at all realistic strain rates. We predict that the avalanche size scales as $\dotγ^{-1/d}$, with $d$ the space dimension.
