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The jamming transition of frictionless athermal particles is a paradigm to understand the mechanics of amorphous materials at the atomic scale. Concepts related to the jamming transition and the mechanical response of jammed packings have cross-fertilized into other areas such as atomistic descriptions of the elasticity and plasticity of glasses. In this perspective article, the microscopic mathematical theory of the jamming transition is reviewed from first-principles. The starting point of the derivation is a microscopically-reversible particle-bath Hamiltonian from which the governing equation of motion for the grains under an external deformation is derived. From this equation of motion, microscopic expressions are obtained for both the shear modulus and the viscosity as a function of the distance from the jamming transition (respectively, above and below the transition). Regarding the vanishing of the shear modulus at the unjamming transition, this theory, as originally demonstrated in [Zaccone \& Scossa-Romano, Phys. Rev. B 83, 184205 (2011)], is currently the only quantitative microscopic theory in parameter-free agreement with numerical simulations of [O'Hern et al. Phys. Rev. E 68, 011306 (2003)] for jammed packings. The divergence of the viscosity upon approaching the jamming transition from below is derived here, for the first time, from the same microscopic Hamiltonian. The quantitative microscopic prediction of the diverging viscosity is shown to be in fair agreement with numerical results of sheared 2D soft disks from [Olsson \& Teitel, Phys. Rev. Lett. 99, 178001 (2007)]., Comment: Invited Perspective

The notion of defects in crystalline phases of matter has been extremely powerful for understanding crystal growth, deformation and melting. These discontinuities in the periodic order of crystals are mathematically described by the Burgers vector, derived from the particle displacements, which encapsulates the direction and magnitude of slip relative to the undeformed state. Since the reference structure of the crystal is known a priori, the Burgers vector can be determined experimentally using both imaging and diffraction methods to measure the lattice distortion, and thus infer the particle displacements. Glasses have structures that lack the periodicity of crystals, and thus a well-defined reference state. Yet, measurable structural parameters can still be obtained from diffraction from a glass. Here we examine the usefulness of these parameters to probe deformation in glasses. We find that coordinated transformations in the centrosymmetry of local particle arrangements are a strong marker of plastic events. Moreover, we investigate two geometric indicators that can be derived from distortions in local diffraction patterns, namely the continuous Burgers vector and the quadrupolar strain. We find that the Burgers vector again emerges as a robust and sensitive metric for understanding local structural transformations due to mechanical deformation, even in structural glasses., Comment: 13 pages 5 figures

Heat transport in bulk materials is well described using the Debye theory of 3D vibrational modes (phonons) and the acoustic match model. However, in cryogenic nanodevices, phonon wavelengths exceed device dimensions, leading to confinement effects that standard models fail to address. With the growing application of low-temperature devices in communication, sensing, and quantum technologies, there is an urgent need for models that accurately describe heat transport under confinement. We introduce a computational approach to obtain phonon heat capacity and heat transport rates between solids in various confined geometries, that can be easily integrated into, e.g., the standard two-temperature model. Confinement significantly reduces heat capacity and may slow down heat transport. We have validated our model in experiments on strongly disordered NbTiN superconducting nanostructures, widely used in highly efficient single-photon detectors, and we argue that confinement is due to their polycrystalline granular structure. These findings point to potential advances in cryogenic device performance through tailored material and microstructure engineering., Comment: arXiv admin note: text overlap with arXiv:2308.12090

The miniaturization of electronic devices has led to the prominence, in technological applications, of semiconductor thin films that are only a few nanomenters thick. In spite of intense research, the thickness-dependent resistivity or conductivity of semiconductor thin films is not understood at a fundamental physical level. We develop a theory based on quantum confinement which yields the dependence of the concentration of intrinsic carriers on the film thickness. The theory predicts that the resistivity $\rho$, in the 1-10 nm thickness range, increases exponentially as $\rho \sim \exp(const/L^{1/2})$ upon decreasing the film thickness $L$. This law is able to reproduce the remarkable increase in resistivity observed experimentally in Si thin films, whereas the effect of surface scattering (Fuchs-Sondheimer theory) alone cannot explain the data when the film thickness is lower than 10 nm.

Describing the dynamics and thermodynamics of amorphous materials near the glass transition is a major challenge in soft-matter physics and polymer engineering. The relaxation time changes many orders of magnitude as the temperature approaches the glass transition, Tg. The glass transition, in turn, depends on the cooling rate (in DSC or dilatometry experiments) and the pressure. While there are several empirical rules relating the thermal expansion, density, relaxation time, temperature, and pressure (Boyer-Spencer, Simha-Boyer, and the Casalini-Roland thermodynamical scaling), there has been no unified theoretical model linking them together. Here, we apply the principle of corresponding states within the dynamic Sanchez-Lacombe two-state, two-(time)scale (SL-TS2) theory to derive a universal polymer equation of state (EoS). The proposed EoS describes the alpha-relaxation time (dynamic EoS) and specific volume of amorphous polymers (volume EoS) using five material parameters - dynamic fragility (m), glass transition temperature, elementary relaxation time, bulk modulus, and specific volume at the glass transition point. The model is compared to experimental data for nine amorphous polymers with varying values of Tg and m, and a good qualitative and quantitative agreement is found. The new EoS could serve as a bridge to connect experimental data (measured at low cooling rates) with computer simulations (done at very high cooling rates)., Comment: 42 pages manuscript and 18 pages of SI included at the end of the file; 21 figures and 5 tables

In a binary fluid mixture, the concentration gradient of a heavier molecular solute leads to a diffusive flux of solvent and solute to achieve thermodynamic equilibrium. If the solute concentration decreases with height, the system is always in a condition of stable mechanical equilibrium against gravity. We show experimentally that this mechanical equilibrium becomes unstable in case colloidal particles are dispersed uniformly within the mixture, and that the resulting colloidal suspension undergoes a transient convective instability with the onset of convection patterns. By means of a numerical analysis, we clarify the microscopic mechanism from which the observed destabilisation process originates. The solute concentration gradient drives an upward diffusiophoretic migration of colloids, in turn causing the development of a mechanically unstable layer within the sample, where the density of the suspension increases with height. Convective motions arise to minimize this localized rise in gravitational potential energy.

The underlying structural disorder renders the concept of topological defects in amorphous solids difficult to apply and hinders a first-principle identification of the microscopic carriers of plasticity and of the regions more prone to structural rearrangements ("soft spots"). Recently, it has been proposed that well-defined topological defects can still be identified in glasses, and correlated to local and global plasticity, by looking at the eigenvector field or the particle displacement field. Nevertheless, all the existing proposals and analyses are only valid in two spatial dimensions. In this work, we propose the idea of using hedgehog topological defects to characterize the plasticity of 3D glasses and to geometrically predict the location of their soft spots. We corroborate our proposal by simulating a Kremer-Grest 3D polymer glass, and by using both the normal mode eigenvector field and the displacement field around large plastic events. Our results confirm that a topological characterization of plasticity in glasses is feasible, and provide a concrete realization of this program in 3D amorphous systems., Comment: v1: comments welcome

Plastic deformation in metallic glasses at room temperature leads to the development of shear bands due to shear localization. In many experiments, shear bands have shown local density variations along their path, with a distinct imbalance in magnitude between local densification and dilation. However, a comprehensive mechanistic understanding or theory to explain this asymmetry has been lacking until now. Here, we introduce a new model that consists of a sequential arrangement of alternating topological 'charges', generating a dipolar field. The resulting microscopic displacement field, when integrated into the deformation gradient tensor, provides an accurate analytical solution for the observed imbalances in the density variations. The implications of this method are discussed, highlighting the potential to elucidate a broader range of observations in shear bands., Comment: Accepted for publication in Phys. Rev. B

The shear viscosity is a fundamental transport property of matter. Here we derive a general theory of the viscosity of gases based on the relativistic Langevin equation (deduced from a relativistic Lagrangian) and nonaffine linear response theory. The proposed relativistic theory is able to recover the viscosity of non-relativistic classical gases, with all its key dependencies on mass, temperature, particle diameter and Boltzmann constant, in the limit of Lorentz factor $\gamma=1$. It also unveils the relativistic enhancement mechanism of viscosity. In the limit of ultrarelativistic fluids, the theory provides a new analytical formula which reproduces the cubic increase of viscosity with temperature in agreement with various estimates for hot dense matter and the QGP-type fluid.

It is common knowledge that noble metals are excellent conductors but do not exhibit superconductivity. On the other hand, quantum confinement in thin films has been consistently shown to induce a significant enhancement of the superconducting critical temperature in several superconductors. It is therefore an important fundamental question whether ultra-thin film confinement may induce observable superconductivity in non-superconducting metals. We present a generalization, in the Eliashberg framework, of a BCS theory of superconductivity in good metals under thin-film confinement. By numerically solving these new Eliashberg-type equations, we find the dependence of the superconducting critical temperature on the film thickness $L$. This parameter-free theory predicts a maximum increase in the critical temperature for a specific value of the film thickness, which is a function of the number of free carriers in the material. Exploiting this fact, we predict that ultra-thin films of gold, silver and copper of suitable thickness could be superconductors at low but experimentally accessible temperatures. We demonstrate that this is a fine-tuning problem where the thickness must assume a very precise value, close to half a nanometer.

Developing a deep understanding of macroscopic mechanical properties of amorphous systems which lack structural periodicity, has posed a key challenge, not only at the level of theory but also in molecular simulations. Despite significant advancements in computational resources, there is a vast timescale disparity, more than 6 orders of magnitude, between mechanical properties probed in simulations compared to experiments. Using the theoretical framework of non-affine lattice dynamics (NALD), based on the instantaneous normal modes analysis determined through the dynamical matrix of the system, we study the viscoelastic response of a cross-linked epoxy system of diglycidyl ether of bisphenol A (DGEBA) and poly(oxypropylene) diamine, over many orders of magnitude in deformation frequency, below the glass transition temperature. Predictions of the elastic modulus are satisfactorily validated against the non-equilibrium molecular dynamics simulations in the high-frequency regime, and against experimental data from dynamic mechanical analysis at frequencies $ \sim 1 {\rm Hz}$, hence successfully bridging the timescale gap. The comparison shows that non-affine displacements at the atomic level account for nearly two orders of magnitude reduction in the low-frequency elastic modulus of the polymer glass, compared to affine elasticity estimates. The analysis also reveals the role of internal stresses (as reflected in the instantaneous normal modes), which act as to strengthen the mechanical response.

Mesh-based scene representation offers a promising direction for simplifying large-scale hierarchical visual localization pipelines, combining a visual place recognition step based on global features (retrieval) and a visual localization step based on local features. While existing work demonstrates the viability of meshes for visual localization, the impact of using synthetic databases rendered from them in visual place recognition remains largely unexplored. In this work we investigate using dense 3D textured meshes for large-scale Visual Place Recognition (VPR). We identify a significant performance drop when using synthetic mesh-based image databases compared to real-world images for retrieval. To address this, we propose MeshVPR, a novel VPR pipeline that utilizes a lightweight features alignment framework to bridge the gap between real-world and synthetic domains. MeshVPR leverages pre-trained VPR models and is efficient and scalable for city-wide deployments. We introduce novel datasets with freely available 3D meshes and manually collected queries from Berlin, Paris, and Melbourne. Extensive evaluations demonstrate that MeshVPR achieves competitive performance with standard VPR pipelines, paving the way for mesh-based localization systems. Data, code, and interactive visualizations are available at https://meshvpr.github.io/, Comment: Website: https://mesh-vpr.github.io/

A theory and mechanistic understanding of the thermal properties of solids under nanoscale confinement are currently missing. We develop a theoretical quantum confinement description of thin films which predicts a new physical law for the heat capacity. In particular, due to the suppression of vibrational modes caused by the thin film confinement, the vibrational density of states (VDOS) deviates from the Debye quadratic law in frequency and is, instead, cubic in frequency. This leads to a temperature dependence of the heat capacity which is $\sim T^4$ instead of Debye's $\sim T^3$ law. Furthermore, the new theory predicts a linear increase of the heat capacity upon increasing the nanometric film thickness. Both dependencies are found in excellent agreement with recent experimental data on NbTiN thin films.

In spite of the success of the Bethe-Weizs\"acker mass formula in its modern numerical and predictive implementations, the common-knowledge principle that it is electrostatics which, ultimately, favors neutron-rich nuclei still presents unclear aspects. For example, while it is true that the Coulomb interaction promotes the tendency towards neutron-rich nuclei, the opposite effects of Majorana exchange forces and Pauli exclusion are known to counteract this tendency. We show that a recent analytical progress in the mathematical description of random close packing of spheres with different sizes provides a missing contribution to the theoretical description of the $Z$ versus $N$ slope in the nuclides chart. In particular, the theory suggests, on geometric grounds and with a physically-reasoned assumption that the excluded-volume size of neutrons is 20\% larger than that of protons, that the most stable nuclei are those with ratio $Z/N\approx 0.75$. This new ``geometric'' random-packing contribution to the semi-empirical mass formula may be the missing aspect of nuclear structure that tilts the balance towards neutron-rich nuclei in the Segr\`e stability chart.

Topological defects are singularities in the order parameter space that are mathematically described by topological invariants and cannot be removed by continuous transformations. These defects play a significant role in various fields, ranging from cosmology to solid-state physics and biological matter. The definition of these irregularities requires an ordered reference configuration, leading to decades of debate about the existence of topological defects in disordered systems, such as glasses. Recently, it has been proposed that well-defined topological defects might emerge in the dynamical properties of glasses under deformation, potentially relating to their plastic behavior. In this study, we investigate a two-dimensional colloidal glass system composed of particles interacting by an effective magnetic repulsion. We reveal the presence of topological defects in the eigenspace of the vibrational frequencies of this experimental 2D amorphous solid. The vibrational density of states of this 2D amorphous material exhibits distinct glassy properties such as the presence of a boson peak anomaly. Through extensive numerical and theoretical quantitative analysis, we establish a robust positive correlation between the vibrational characteristics and the total number of topological defects. We furthermore show that defects of opposite charge tend to pair together and prove their local statistical correlation with the "soft spots", the regions more prone to plastic flow. This work provides the experimental confirmation for the existence of topological defects in disordered systems revealing a complex interplay between topology, disorder, and vibrational behavior.

The Taylor-Aris theory of shear diffusion predicts that the effective diffusivity of a tracer molecule in a sheared liquid is enhanced by a term quadratic in the shear rate. In sheared supercooled liquids, instead, the observed enhancement is linear in the shear rate. This is a fundamental observation for the physics of nonequilibrium liquids for which no theory or fundamental understanding is available. We derive a formula for the effective molecular diffusivity in supercooled liquids under shear flow based on the underlying Smoluchowski equation with shear (Smoluchowski diffusion-convection equation) with an energy barrier representing a crowded energy landscape. The obtained formula correctly recovers the effective diffusivity with a correction term linear in the shear rate, in agreement with results from numerical simulations of different liquids as well as with earlier experimental results on shear melting of colloidal glass. The theory predictions are supported by comparisons with molecular simulations of supercooled water and supercooled Lennard-Jones liquids, which confirm that the predicted enhancement of diffusivity is inversely proportional to temperature and directly proportional to the zero shear viscosity.

The Langevin equation is ubiquitously employed to numerically simulate plasmas and dusty plasmas. However, the usual assumption of white noise becomes untenable when the system is subject to an external AC electric field. This is because the charged particles in the plasma, which provide the thermal bath for the particle transport, become themselves responsive to the AC field and the thermal noise is field-dependent and non-Markovian. We theoretically study the particle diffusivity in a Langevin transport model for a tagged charged particle immersed in a dense plasma of charged particles that act as the thermal bath, under an external AC electric field, by properly accounting for the effects of the AC field on the thermal bath statistics. We analytically derive the time-dependent generalized diffusivity $D(t)$ for different initial conditions. The generalized diffusivity exhibits damped oscillatory-like behaviour with initial very large peaks, where the generalized diffusion coefficient is enhanced by orders of magnitude with respect to the infinite-time steady-state value. The latter coincides with the Stokes-Einstein diffusivity in the absence of external field. For initial conditions where the external field is already on at $t=0$ and the system is thermalized under DC conditions for $t \leq 0$, the short-time behaviour is hyperballistic, $MSD \sim t^4$ (where MSD is the mean-squared displacement), leading to giant enhancement of the particle transport. Finally, the theory elucidates the role of medium polarization on the local Lorentz field, and allows for estimates of the effective electric charge due to polarization by the surrounding charges.

The dielectric properties of thin films are of paramount important in a variety of technological applications, and of fundamental importance for solid state research. In spite of this, there is currently no theoretical understanding of the dependence of the dielectric permittivity on the thickness of thin films. We develop a confinement model within the Lorentz-field framework for the microscopic Langevin-equation description of dielectric response in terms of the atomic-scale vibrational modes of the solid. Based on this, we derive analytical expressions for the dielectric permittivity as a function of thin film thickness, in excellent agreement with experimental data of Barium-Strontium-Titanate (BST) thin films of different stoichiometry. The theory shows that the decrease of dielectric permittivity with decreasing thickness is directly caused by the restriction in $k$-space of the available eigenmodes for field-induced alignment of ions and charged groups., Comment: Misprint in Eq.(14) corrected

The deformation mechanism in amorphous solids subjected to external shear remains poorly understood because of the absence of well-defined topological defects mediating the plastic deformation. The notion of soft spots has emerged as a useful tool to characterize the onset of irreversible rearrangements and plastic flow, but these entities are not clearly defined in terms of geometry and topology. In this study, we unveil the phenomenology of recently discovered, precisely defined topological defects governing the microscopic mechanical and yielding behavior of a model 3D glass under shear deformation. We identify the existence of vortex-like and anti-vortex-like topological defects within the 3D non-affine displacement field. The number density of these defects exhibits a significant anti-correlation with the plastic events, with defect proliferation-annihilation cycles matching the alternation of elastic-like segments and catastrophic plastic drops, respectively. Furthermore, we observe collective annihilation of these point-like defects via plastic events, with large local topological charge fluctuations in the vicinity of regions that feature strong non-affine displacements. We reveal that plastic yielding is driven by several large sized clusters of net negative topological charge, the massive annihilation of which triggers the onset of plastic flow. These findings suggest a geometric and topological characterization of soft spots and pave the way for the mechanistic understanding of topological defects as mediators of plastic deformation in glassy materials., Comment: Accepted for publication in PNAS Nexus

The supercurrent field effect is experimentally realized in various nano-scale devices, based on the superconductivity suppression by external electric fields being effective for confined systems. In spite of intense research, a microscopic theory and explanation of this effect is missing. Here, a microscopic theory of phonon-mediated superconductivity in thin films is presented, which accounts for the effect of quantum confinement on the electronic density of states, on the Fermi energy, and on the topology of allowed states in momentum space. By further accounting for the interplay between quantum confinement, the external static electric field, the Thomas-Fermi screening in the electron-phonon matrix element, and the effect of confinement on the Coulomb repulsion parameter, the theory predicts the critical value of the external electric field as a function of the film thickness, above which superconductivity is suppressed. In particular, this critical value of the electric field is the lower the thinner the film, in agreement with recent experimental observations. Crucially, this effect is predicted by the theory when both Thomas-Fermi screening and the Coulomb pseudopotential are taken into account, along with the respective dependence on thin film thickness. This microscopic theory of the supercurrent field-effect opens up new possibilities for electric-field gated quantum materials., Comment: Physical Review B, accepted, in press

Federated Learning (FL) has emerged as the state-of-the-art approach for learning from decentralized data in privacy-constrained scenarios. However, system and statistical challenges hinder real-world applications, which demand efficient learning from edge devices and robustness to heterogeneity. Despite significant research efforts, existing approaches (i) are not sufficiently robust, (ii) do not perform well in large-scale scenarios, and (iii) are not communication efficient. In this work, we propose a novel Generalized Heavy-Ball Momentum (GHBM), motivating its principled application to counteract the effects of statistical heterogeneity in FL. Then, we present FedHBM as an adaptive, communication-efficient by-design instance of GHBM. Extensive experimentation on vision and language tasks, in both controlled and realistic large-scale scenarios, provides compelling evidence of substantial and consistent performance gains over the state of the art.

We develop a simple yet comprehensive nonlinear model to describe relaxation phenomena in amorphous glass-formers near the glass transition temperature. The model is based on the two-state, two-(time)scale (TS2) framework, and describes the isothermal relaxation of specific volume, enthalpy, or shear stress via a simple first-order nonlinear differential equation (the Trachenko-Zaccone [TZ] equation) for local cooperative events. These nonlinear dynamics of cooperatively rearranging regions (CRR) naturally arise from the TS2 framework. We demonstrate that the solutions of the TZ equation comprehensively encompass the Debye exponential relaxation, the Kohlrausch-Williams-Watts (KWW) stretched and compressed relaxations, and the Guiu-Pratt logarithmic relaxation. Furthermore, for the case of stress relaxation modeling, our model recovers, as one of its limits, the Eyring law for plastic flow, where the Eyring activation volume is related to thermodynamic parameters of the material. Using the example of polystyrene (PS), we demonstrate how our model successfully describes the Kovacs "asymmetry of approach" specific volume and enthalpy experiments, as well as the stress relaxation. Other potential applications of the model, including the dielectric relaxation, are also discussed. The presented approach disentangles the physical origins of different relaxation laws within a single general framework based on the underlying physics., Comment: 34 pages, 5 figures; submitted to Macromolecules

The relativistic Langevin equation poses a number of technical and conceptual problems related to its derivation and underlying physical assumptions. Recently, a method has been proposed in [A. Petrosyan and A. Zaccone, J. Phys. A: Math. Theor. 55 015001 (2022)] to derive the relativistic Langevin equation from a first-principles particle-bath Lagrangian. As a result of the particle-bath coupling, a new ``restoring force'' term appeared, which breaks translation symmetry. Here we revisit this problem aiming at deriving a fully translation-invariant relativistic Langevin equation. We successfully do this by adopting the renormalization potential protocol originally suggested by Caldeira and Leggett. The relativistic renormalization potential is derived here and shown to reduce to Caldeira and Leggett's form in the non-relativistic limit. The introduction of this renormalization potential successfully removes the restoring force and a fully translation-invariant relativistic Langevin equation is derived for the first time. The physically necessary character of the renormalization potential is discussed in analogy with non-relativistic systems, where it emerges due to the renormalization of the tagged particle dynamics due to its interaction with the bath oscillators (a phenomenon akin to level-repulsion or avoided-crossing in condensed matter). We discuss the properties that the corresponding non-Markovian friction kernel has to satisfy, with implications ranging from transport models of the quark-gluon plasma, to relativistic viscous hydrodynamic simulations, and to electrons in graphene.

We use the discrete element method, taking particle contact and hydrodynamic lubrication into account, to unveil the shear rheology of suspensions of frictionless non-Brownian rods in the dense packing fraction regime. We find that, analogously to the random close packing volume fraction, the shear-driven jamming point of this system varies in a non-monotonic fashion as a function of the rod aspect ratio. The latter strongly influences how the addition of rod-like particles affects the rheological response of a suspension of frictionless non-Brownian spheres to an external shear flow. At fixed values of the total (rods plus spheres) packing fraction, the viscosity of the suspension is reduced by the addition of "short" ( $\leq 2$) rods but is instead increased by the addition of "long" ( $\geq2$) rods. A mechanistic interpretation is provided in terms of packing and excluded-volume arguments., Comment: final

In many colloidal suspensions, the dispersed colloidal particles are amorphous solids resulting from vitrification. A crucial open problem is understanding how colloidal stability is affected by the intra-particle glass transition. By dealing with the latter process from a solid-state perspective, we estabilish a proportionality relation between the intra-particle glass transition temperature, $T_{\textrm{g}},$ and the Hamaker constant, $A_\textrm{H},$ of a generic suspension of nanoparticles. It follows that $T_\textrm{g}$ can be used as a convenient parameter (alternative to $A_\textrm{H}$) for controlling the stability of colloidal systems. Within DLVO theory, we show that the novel relationship, connecting $T_\textrm{g}$ to $A_\textrm{H},$ implies the critical coagulation ionic strength (CCIS) to be a monotonically decreasing function of $T_{\textrm{g}}.$ We connect our predictions to recent experimental findings.

The shear viscosity of quark gluon plasma is customarily estimated in the literature using kinetic theory, which, however, is well known to break down for dense interacting systems. Here we propose an alternative theoretical approach based on recent advances in the physics of dense interacting liquid-like systems, which is valid for strongly-interacting and arbitrarily dense relativistic systems. With this approach, the viscosity of strongly interacting dense heavy-quarks plasma is evaluated analytically, at the level of special relativity. For QGP well above the confinement temperature, the theory predicts that the viscosity increases with the cube of temperature, in agreement with evidence., Comment: arXiv admin note: text overlap with arXiv:2306.05771

A new microscopic formula for the viscosity of liquids and solids is derived rigorously from a first-principles (microscopically reversible) Hamiltonian for particle-bath atomistic motion. The derivation is done within the framework of nonaffine linear response theory. The new formula may lead to a valid alternative to the Green-Kubo approach to describe the viscosity of condensed matter systems from molecular simulations without having to fit long-time tails. Furthermore, it provides a direct link between the viscosity, the vibrational density of states of the system, and the zero-frequency limit of the memory kernel., Comment: Typo corrected

We provide a mathematical description, based on d-wave Eliashberg theory, of the strong correlation between the experimentally observed softening of Raman modes associated with in-plane oxygen motions and the corresponding superconducting critical temperature $T_c$, as a function of oxygen doping $x$, in YBa$_2$Cu$_3$O$_x$. The theoretical model provides a direct link between physical trends of soft optical $A_g$ (in-plane) oxygen modes, the level of oxygen doping $x$, and the superconducting $T_c$. Different regimes observed in the trend of $T_c$ vs doping can be related to corresponding regimes of optical phonon softening in the Raman spectra. These results provide further evidence related to the physical origin of high-temperature superconductivity in rare-earth cuprate oxides and to the significant role of electron-phonon coupling therein., Comment: Accepted for publication in J. Phys. Materials

Phasons are collective low-energy modes that appear in disparate condensed matter systems such as quasicrystals, incommensurate structures, fluctuating charge density waves, and Moir\'e superlattices. They share several similarities with acoustic phonon modes, but they are not protected by any exact translational symmetry. As a consequence, they are subject to a wavevector independent damping, and they develop a finite pinning frequency, which destroy their acoustic linearly propagating dispersion. Under a few and simple well-motivated assumptions, we compute the phason density of states, and we derive the phason heat capacity as a function of the temperature. Finally, imagining a hypothetical s-wave pairing channel with electrons, we compute the critical temperature $T_c$ of the corresponding superconducting state as a function of phason damping using the Eliashberg formalism. We find that for large phason damping, the heat capacity is linear in temperature, showing a distinctive glass-like behavior. Additionally, we observe that the phason damping can strongly enhance the effective Eliashberg coupling, and we reveal a sharp non-monotonic dependence of the superconducting temperature $T_c$ on the phason damping, with a maximum located at the underdamped to overdamped crossover scale. Our simple computations confirm the potential role of overdamped modes in explaining the glassy properties of incommensurate structures, but also in possibly inducing strongly-coupled superconductivity therein, and enhancing the corresponding $T_c$., Comment: v2: appendices added, references added

The role of anharmonicity on superconductivity has often been disregarded in the past. Recently, it has been recognized that anharmonic decoherence could play a fundamental role in determining the superconducting properties (electron-phonon coupling, critical temperature, etc) of a large class of materials, including systems close to structural soft-mode instabilities, amorphous solids and metals under extreme high-pressure conditions. Here, we review recent theoretical progress on the role of anharmonic effects, and in particular certain universal properties of anharmonic damping, on superconductivity. Our focus regards the combination of microscopic-agnostic effective theories for bosonic mediators with the well-established BCS theory and Migdal-Eliashberg theory for superconductivity. We discuss in detail the theoretical frameworks, their possible implementation within first-principles methods, and the experimental probes for anharmonic decoherence. Finally, we present several concrete applications to emerging quantum materials, including hydrides, ferroelectrics and systems with charge density wave instabilities., Comment: matching the published version

We provide a first-principles derivation of the Langevin equation with shear flow and its corresponding fluctuation-dissipation theorems. Shear flow of simple fluids has been widely investigated by numerical simulations. Most studies postulate a Markovian Langevin equation with a simple shear drag term \`a la Stokes. However, this choice has never been justified from first principles. We start from a particle-bath system described by a classical Caldeira-Leggett Hamiltonian modified by adding a term proportional to the strain-rate tensor according to Hoover's DOLLS method, and we derive a generalized Langevin equation for the sheared system. We then compute, analytically, the noise time-correlation functions in different regimes. Based on the intensity of the shear-rate, we can distinguish between close-to-equilibrium and far-from-equilibrium states. According to the results presented here, the standard, simple and Markovian form of the Langevin equation with shear flow postulated in the literature is valid only in the limit of extremely weak shear rates compared to the effective vibrational temperature of the bath. For even marginally higher shear rates, the (generalized) Langevin equation is strongly non-Markovian and non-trivial fluctuation-dissipation theorems are derived.

We show that an analogy between crowding in fluid and jammed phases of hard spheres captures the density dependence of the kissing number for a family of numerically generated jammed states. We extend this analogy to jams of mixtures of hard spheres in $d=3$ dimensions, and thus obtain an estimate of the random close packing (RCP) volume fraction, $\phi_{\textrm{RCP}}$, as a function of size polydispersity. We first consider mixtures of particle sizes with discrete distributions. For binary systems, we show agreement between our predictions and simulations, using both our own and results reported in previous works, as well as agreement with recent experiments from the literature. We then apply our approach to systems with continuous polydispersity, using three different particle size distributions, namely the log-normal, Gamma, and truncated power-law distributions. In all cases, we observe agreement between our theoretical findings and numerical results up to rather large polydispersities for all particle size distributions, when using as reference our own simulations and results from the literature. In particular, we find $\phi_{\textrm{RCP}}$ to increase monotonically with the relative standard deviation, $s_{\sigma}$, of the distribution, and to saturate at a value that always remains below 1. A perturbative expansion yields a closed-form expression for $\phi_{\textrm{RCP}}$ that quantitatively captures a distribution-independent regime for $s_{\sigma} < 0.5$. Beyond that regime, we show that the gradual loss in agreement is tied to the growth of the skewness of size distributions.

We present an analytically solvable theory of BCS-type superconductivity in good metals which are confined along one of the three spatial directions, such as thin films. Closed-form expressions for the dependence of the superconducting critical temperature $T_c$ as a function of the confinement size $L$ are obtained, in quantitative agreement with experimental data with no adjustable parameters. Upon increasing the confinement, a crossover from a spherical Fermi surface, which contains two growing hollow spheres corresponding to states forbidden by confinement, to a strongly deformed Fermi surface, is predicted. This crossover represents a new topological transition, driven by confinement, between two Fermi surfaces belonging to two different homotopy classes. This topological transition provides a mechanistic explanation of the commonly observed non-monotonic dependence of $T_c$ upon film thickness with a maximum which, according to our theory, coincides with the topological transition.

Melting is well understood in terms of the Lindemann criterion, essentially stating that crystalline materials melt when the thermal vibrations of their atoms become such vigorous that they shake themselves free of the binding forces. However, how about another common type of solids: glasses, where the nature of the solid-liquid crossover is highly controversial? The Lindemann criterion implies that the thermal expansion coefficients alpha of crystals are inversely proportional to their melting temperatures. Here we find that, unexpectedly, alpha of glasses decreases much stronger with increasing glass-transition temperature Tg marking the liquid-solid crossover in this material class. However, scaling alpha by the fragility m, a measure of particle cooperativity, restores the proportionality, i.e., alpha/m ~ 1/Tg. Obviously, for a glass to become liquid, it is not sufficient to simply overcome the interparticle binding energies. Instead, more energy has to be invested to break up the typical cooperative particle network which is considered a hallmark feature of glassy materials. Surprisingly, alpha of the liquid phase reveals similar anomalous behaviour and is universally enhanced by a constant factor of ~3. The found universalities allow estimating glass-transition temperatures from thermal expansion and vice versa., Comment: 6 pages, 2 figures + Supplementary Information (9 pages, 1 figure, 2 tables). First submitted version of manuscript

Phonon softening is a ubiquitous phenomenon in condensed matter systems which is often associated with charge density wave (CDW) instabilities and anharmonicity. The interplay between phonon softening, CDW and superconductivity is a topic of intense debate. In this work, the effects of anomalous soft phonon instabilities on superconductivity are studied based on a recently developed theoretical framework that accounts for phonon damping and softening within the Migdal-Eliashberg theory. Model calculations show that the phonon softening in the form of a sharp dip in the phonon dispersion relation, either acoustic or optical (including the case of Kohn-type anomalies typically associated with CDW), can cause a manifold increase of the electron-phonon coupling constant $\lambda$. This, under certain conditions, which are consistent with the concept of optimal frequency introduced by Bergmann and Rainer, can produce a large increase of the superconducting transition temperature $T_c$. In summary, our results suggest the possibility of reaching high-temperature superconductivity by exploiting soft phonon anomalies restricted in momentum space., Comment: v3: matching the published version

We present a theoretical framework to investigate the microscopic structure of concentrated hard-sphere colloidal suspensions under strong shear flows by fully taking into account the boundary-layer structure of convective diffusion. We solve the pair Smoluchowski equation with shear separately in the compressing and extensional sectors of the solid angle, by means of matched asymptotics. A proper, albeit approximate, treatment of the hydrodynamic interactions in the different sectors allows us to construct a potential of mean force containing the effect of the flow field on pair correlations. We insert the obtained pair potential in the Percus-Yevick relation and use the latter as a closure to solve the Ornstein-Zernike integral equation. For a wide range of either the packing fraction $\eta$ and the P\'eclet ($\textrm{Pe}$) number, we compute the pair correlation function and extract scaling laws for its value at contact. For all the considered value of $\textrm{Pe},$ we observe a very good agreement between theoretical findings and numerical results from literature, up to rather large values of $\eta.$ The theory predicts a consistent enhancement of the structure factor $ S(k)$ at $k \to 0,$ upon increasing the $\textrm{Pe}$ number. We argue this behaviour may signal the onset of a phase transition from the isotropic phase to a non-uniform one, induced by the external shear flow.

We apply our recently-developed mean-field 'SL-TS2' (two-state Sanchez-Lacombe) model to simultaneously describe dielectric alpha-relaxation time and pressure-volume-temperature (PVT) data in four polymers (polystyrene, poly(methylmethacrylate), poly(vinyl acetate) and poly(cyclohexane methyl acrylate)) and four organic molecular glass formers (ortho-terphenyl, glycerol, PCB-62, and PDE). Previously, it has been shown that for all eight materials, the Casalini-Roland thermodynamical scaling, /tau_{/alpha} = f(TV_{sp}^{/gamma}) (where T is temperature and V_{sp} is specific volume), (Casalini, R.; Roland, C. M. Phys. Rev. Lett. 2014, 113 (8), 85701), is satisfied. It has also been previously shown that the same scaling emerges naturally (for sufficiently low pressures) within the 'SL-TS2' framework (Ginzburg, V. V. Soft Matter 2021, 17, 9094). Here, we fit the ambient pressure curves for the relaxation time and the specific volume as functions of temperature for the eight materials and observe a good agreement between theory and experiment. We then use the Casalini-Roland scaling to convert those results into 'master curves', thus enabling predictions of relaxation times and specific volumes at elevated pressures. The proposed approach can be used to describe other glass-forming materials, both low-molecular-weight and polymeric., Comment: 33 pages, 7 figures; submitted to Soft Matter

We developed an analytical theoretical method to determine the microscopical structure of weakly to moderately sheared colloidal suspensions in dilute conditions. The microstructure is described by the static structure factor, obtained by solving the stationary two-body Smoluchowski advection-diffusion equation. The singularly perturbed PDE problem is solved by performing an angular averaging over the extensional and compressing sectors and by the rigorous application of boundary-layer theory (intermediate asymptotics). This allows us to expand the solution to a higher order in P\'eclet with respect to previous methods. The scheme is independent of the type of interaction potential. We apply it to the example of charge-stabilized colloidal particles interacting via the repulsive Yukawa potential and study the distortion of the structure factor. It is predicted that the distortion is larger at small wavevectors $k$ and its dependence on $Pe$ is a simple power law. At increasing $Pe$, the main peak of the structure factor displays a broadening and shift towards lower $k$ in the extensional sectors, which indicates shear-induced spreading out of particle correlations and neighbor particles locally being dragged away from the reference one. In the compressing sectors, instead, a narrowing and shift towards high $k$ is predicted, reflecting shear-induced ordering near contact and concomitant depletion in the medium-range. An overall narrowing of the peak is also predicted for the structure factor averaged over the whole solid angle. Calculations are also performed for hard spheres, showing good overall agreement with experimental data. It is also shown that the shear-induced structure factor distortion is orders of magnitude larger for the Yukawa repulsion than for the hard spheres.

A recent Comment by W. T. Kranz is shown to be plagued by a serious mathematical error which makes its conclusions invalid., Comment: The Comment by W. T. Kranz has been rejected for publication in Phys. Rev. Lett

We present an analytically solvable theory of Bose-Einstein condensation in thin film geometries. Analytical closed-form expressions for the critical temperature are obtained in both the low-to-moderate confinement regime (where the film thickness $L$ is in the order of microns) as well as in the strong confinement regime where the thickness is in the order of few nanometers or lower. The possibility of high-temperature BEC is predicted in the strong confinement limit, with a square-root divergence of the critical temperature $T_{c} \sim L^{-1/2}$. For cold Bose gases, this implies an enhancement up to two orders of magnitude in $T_{c}$ for films on the nanometer scale. Analytical predictions are also obtained for the heat capacity and the condensate fraction. A new law for the heat capacity of the condensate, i.e. $C \sim T^{2}$, is predicted for nano-scale films, which implies a different $\lambda$ point behaviour with respect to bulk systems, while the condensate fraction is predicted to follow a $[1- (T/T_{c})^{2}]$ law.