arXiv subjects

Alessio Zaccone

Publications and source records attributed to Alessio Zaccone.

At least 37 records · Page 2Linked to original sources

arXiv2026

Predicting the Brittle-to-Ductile Transition in Amorphous Polymers

Brittle-ductile transition (BDT) is an important characteristic of amorphous (and semicrystalline) polymers. For a given strain rate, at temperatures above BDT, the polymers exhibit strain softening followed by yield and strain hardening, while at temperatures below BDT, the same materials exhibit brittle failure at relatively low strains. Surprisingly, today there is no simple model describing BDT as a function of polymer chemistry, sample history, deformation type, and strain rate. Experimental data suggest that BDT is often, though not always, associated with the beta-transition. We formulate a simple scalar model to describe the visco-elasto-plastic shear stress-strain curves as functions of temperature and strain rate. We also show that within this model, there is always an upper bound on the strain rate where the material can have a uniform viscoplastic flow; this upper bound is taken to represent the BDT. We stipulate that this upper bound is inversely proportional to the Johari-Goldstein beta-relaxation time. Using our "general" Sanchez-Lacombe "two-state, two-(time)scale" (SL-TS2) model, we compute the BDT for three polymers (polystyrene, poly(methylmethacrylate), and poly(vinylchloride)) and found a good agreement with experimental data.

cond-mat.soft↗

arXiv2026

Geometric indicators of local plasticity in glasses measured by scanning small-beam diffraction

The notion of defects in crystalline phases of matter has been extremely powerful for understanding crystal growth, deformation and melting. Many of these discontinuities in the periodic order of crystals are well 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 final 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 co-ordinated transformations in the centrosymmetry of local particle arrangements are a strong marker of plastic events. For a glass, determining the local distortions corresponding to these plastic events requires measurements before and after deformation. We investigate two geometric indicators that can be derived from these distortions, 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 disordered glasses.

cond-mat.soft↗

arXiv2026

Universal inverse-cube thickness scaling of projectile penetration energy in ultrathin films

Ultrathin films of widely different materials exhibit a dramatic enhancement of projectile penetration resistance under high--velocity impact. Despite extensive simulations and experiments, a unifying physical explanation has remained elusive. Here we show that the thickness dependence of the specific penetration energy obeys a universal law, $E_p^*(h)=E_{p,\infty}^*+B h^{-3}$, independent of chemical composition and degree of disorder. The inverse--cube scaling is traced back to a finite--size correction to the effective shear modulus arising from the suppression of long--wavelength nonaffine deformation modes in confined solids. The scaling quantitatively describes impact data for multilayer graphene, graphene oxide, and polymer thin films, revealing a common elastic origin for nanoscale impact resistance.

cond-mat.mtrl-sci↗

arXiv2026

Turning non-superconducting elements into superconductors by quantum confinement and proximity

Elemental good metals, including noble metals (Cu, Ag, Au) and several $s$-block elements, do not exhibit superconductivity in bulk at ambient pressure, mainly due to weak electron-phonon coupling that cannot overcome Coulomb repulsion. Quantum confinement in ultra-thin films reshapes the electronic spectrum and the density of states near the Fermi level, producing strong, often non-monotonic, thickness dependencies of the critical temperature in established superconductors. Here, we examine whether confinement alone, or combined with proximity effects, can induce superconductivity in metals that are non-superconducting in bulk form. We review recent theoretical progress and introduce a unified framework based on a confinement-generalized, isotropic one-band Eliashberg theory, where the normal density of states becomes energy dependent and key parameters ($E_F$, $λ$, $μ^$) acquire explicit thickness dependence. By numerically solving the Eliashberg equations using ab initio or experimentally determined electron-phonon spectral functions $α^2F(Ω)$ and Coulomb pseudopotentials $μ^$, and without adjustable parameters, we compute the critical temperature $T_c$ as a function of film thickness for representative noble, alkali, and alkaline-earth metals. The results predict that superconductivity emerges only in selected cases and within extremely narrow thickness windows, typically at sub-nanometer scales ($L \sim 0.4-0.6$ nm), indicating strong fine-tuning requirements for confinement-induced superconductivity in good metals. We also consider layered superconductor/normal-metal systems where confinement and proximity effects coexist. In these heterostructures, a substantial enhancement of the critical temperature is predicted, even when the constituent materials are non-superconducting or weak superconductors in bulk form.

cond-mat.supr-con↗

arXiv2026

Prediction of new superconducting bilayers heterostructures using quantum confinement and proximity effects

A central challenge in nanoscale superconductivity is to understand and exploit the combined action of quantum confinement and proximity effects in experimentally realistic metallic heterostructures. We theoretically investigate superconducting bilayer heterostructures in which these two effects coexist. Using a generalized Eliashberg framework that incorporates both quantum confinement and proximity coupling, we show that their interplay can substantially enhance the superconducting critical temperature. In particular, the theory predicts superconductivity in selected bilayers whose constituent materials are nonsuperconducting or only weakly superconducting in the bulk. These results identify quantum-confined bilayers as a promising route to engineering emergent superconductivity in metallic heterostructures.

cond-mat.supr-con↗

arXiv2026

Modeling the Slow Arrhenius Process (SAP) in Polymers

Amorphous glass-forming polymers exhibit multiple relaxation processes, including the structural α-relaxation associated with the glass transition and faster secondary relaxations that typically follow Arrhenius behavior. Recently, a distinct slow Arrhenius process (SAP) has been observed at frequencies well below the α-process. Although Arrhenian in its temperature dependence, the SAP involves much longer relaxation times and its microscopic origin remains unclear. Here, we extend the two-state, two-timescale (TS2) theory to describe both the α-relaxation and the SAP within a unified framework. We propose that the SAP represents the high-temperature limit of an α-like process in a coarse-grained fluid of dynamically correlated clusters. With renormalized interaction energies and coordination parameters, the same model quantitatively reproduces both α and SAP data across multiple polymers without additional adjustable parameters and explains the observed Meyer-Neldel compensation behavior. The theory further predicts that the SAP should deviate from Arrhenius behavior at sufficiently low temperatures, transitioning to Vogel-Fulcher-Tammann-Hesse-like dynamics, thereby offering a physically transparent interpretation of cluster-scale relaxation in glass-forming polymers.

cond-mat.soft↗

arXiv2026

Atomistic Framework for Glassy Polymer Viscoelasticity Across Twenty Frequency Decades

Glassy polymers are central to engineering applications, yet their viscoelastic response over broad frequency and temperature ranges remains difficult to characterize. We extend non-affine deformation theory by incorporating a time-dependent memory kernel within the Generalized Langevin Equation for atomistic non-affine motions, yielding frequency-dependent mechanical response. Applied to poly(methyl methacrylate) (PMMA), the method captures the shear modulus and relaxation spectrum across more than twenty decades in frequency, from hundreds of terahertz to the millihertz regime, thus bridging polymer mechanics from ordinary to extreme scales. Our predictions show quantitative consistency with independent estimates from oscillatory-shear molecular dynamics, Brillouin scattering, ultrasonic spectroscopy, Split-Hopkinson testing, and dynamic mechanical analysis (DMA), demonstrating a unified theoretical-computational route for multiscale characterization of polymer glasses.

cond-mat.soft↗

arXiv2026

Hidden universality in dislocation-loops mediated three-dimensional crystal melting

Understanding why and how crystalline solids melt remains a central problem in condensed-matter physics. Dislocation loops are fundamental topological excitations that control the thermodynamic stability of crystals, yet their role in setting universal aspects of melting has remained unclear. Here we show, within dislocation-mediated melting theory, that the free-energy condition for loop proliferation leads to a universal ratio between the energy of a minimal dislocation loop and the thermal energy at melting. For minimal dislocation loops that begin to proliferate at the onset of melting, this ratio takes the purely geometric value $\mathcal{E}_* = E_{\rm loop}/(k_B T_m) \approx 25.1$, independent of elastic moduli and chemistry-dependent details. This result provides a microscopic explanation for recent empirical findings by Lunkenheimer \emph{et al.}, who identified a closely related universal energy scale $\approx 24.6$ from viscosity data. The same framework also rationalizes the empirical $2/3$ rule relating the glass-transition and melting temperatures.

cond-mat.mtrl-sci↗

arXiv2025

Phonon-confinement theory of thermal conductivity in ultrathin silicon films

The thermal properties of solids under nanoscale confinement are currently not understood at the atomic level. Recent numerical studies have highlighted the presence of a minimum in the thermal conductivity as a function of thickness for ultrathin films at a thickness about 1-2 nm, which cannot be described by existing theories. We develop a theoretical description of thin films which predicts a new physical law for heat transfer at the nanoscale. In particular, due to the strong redistribution of phonon momentum states in reciprocal space (with a transition from a spherical Debye surface to a different homotopy group $\mathbb{Z}$ at strong confinement), the low-energy phonon density of states no longer follows Debye's law but rather a cubic law with frequency, which then crosses over to Debye's law at a crossover frequency proportional to the average speed of sound of the material and inversely proportional to the film thickness. Concomitantly, this implies that the phonon population becomes dominated by low-energy phonons as confinement increases, which then leads to a higher thermal conductivity under extreme confinement. The theory is able to reproduce the thermal conductivity minimum in recent molecular simulations data for ultrathin silicon and provides useful guidelines so as to tune the minimum position based on the mechanical properties of the material.

cond-mat.mes-hall↗

arXiv2025

General Two-Parameter Model of Alpha-Relaxation in Glasses

In the vicinity of the glass transition, the characteristic relaxation time (e.g., the alpha-relaxation time in dielectric spectroscopy) of a glass-former exhibits a strongly super-Arrhenius temperature dependence, as compared to the classical Arrhenius behavior at high temperatures. A comprehensive description of both regions thus requires five parameters. Here, we demonstrate that many glass-formers exhibit a universal scaling, with only two material-specific parameters setting the timescale and the temperature scale; the other three being universal constants. Furthermore, we show that the master curve can be described by the recently developed two-state, two-(time) scale (TS2) theory (Soft Matter 2020, 16, 810) and regress the universal TS2 parameters. We also show the connection between the TS2 model and the Hall-Wolynes elastic relaxation theory.

cond-mat.dis-nn↗

arXiv2025

A unified picture of phonon anomalies in crystals and glasses

Phonon spectra in solids often display anomalies that defy the simple Debye law, most prominently the van Hove singularity in crystals and the boson peak in glasses. Although traditionally regarded as distinct, both features are increasingly recognized as sharing a common physical origin. In a recent work, G. Ding et al. (Nat. Phys. 2025) propose a resonant-damping model that unifies these anomalies within a single framework. By coupling phonon damping to vibrational softening, their theory explains why some materials exhibit van Hove peaks, others boson peaks, and many show both. This advance extends earlier ideas and theories of Baggioli and Zaccone on the competition between phonon propagation and damping, while also connecting to microscopic mechanisms such as nonaffine motions in glasses. The resonant-damping paradigm thus offers a promising step toward a unified understanding of vibrational anomalies across ordered and disordered solids.

cond-mat.mtrl-sci↗

arXiv2025

Eliashberg theory prediction of critical currents in superconducting thin films under DC electric fields

Superconducting thin metallic films, functioning as supercurrent gate-tunable transistors, have considerable potential for future quantum electronic devices. Despite extensive research, a comprehensive microscopic quantitative mechanism that elucidates the control or suppression of supercurrents in thin films remains elusive. Focusing on NbN, a prototypical material, and starting from a phenomenological ansatz that links the critical electric field with the kinetic energy parameter needed to break Cooper pairs, we provide a quantitative analysis of the critical current using Eliashberg theory in the dirty limit without adjustable parameters. The critical kinetic energy value is identified, corresponding to the maximum supercurrent that can flow in the thin film. The peak in supercurrent density as a function of the Cooper pairs' kinetic energy arises from the interplay between the increase in supercurrent due to increased kinetic energy and the depairing effect when the kinetic energy becomes sufficiently large. The critical value of the pair's kinetic energy is subsequently employed to estimate the critical value of an external electric field required to suppress superconductivity in the sample. This estimation is in parameter-free agreement with the experimental observations. Although the disorder reduces the temperature dependence of the gating effect on the critical current, at the same time, it increases the unscreened critical electric field needed to suppress superconductivity. This enables the proposal of methods to control and reduce the critical field value necessary to suppress superconductivity in superconducting electronics.

cond-mat.supr-con↗

arXiv2025

Grain volume distribution alters the critical phenomena in complex granular systems

The grain size distribution (GSD) plays an important role in the mechanical properties of amorphous disordered systems and complex granular materials. Varying GSD causes segregation issues and alters critical behaviors. This work used the discrete element method (DEM) to investigate the rheological and critical behaviors of sheared granular flows with various GSDs. The results show that, while a unified rheological relation can be obtained, a characteristic length scale, which is associated with the contact probability and can be obtained from any GSD, is embedded within such a polydisperse disordered system. We further acquire a correlation function between critical solid fractions and dimensionless grain volume distributions. This work elucidates the effect of particle volumes on the rheology and micromechanics of dry granular systems and provides further insights in better incorporating the influence of other particle properties into a unified framework, which is helpful and critical for the corresponding engineering and geophysical problems.

cond-mat.soft↗

arXiv2025

Burgers rings as topological signatures of Eshelby-like plastic events in glasses

Eshelby-like quadrupolar structures serve as the fundamental microscopic units for characterizing plastic instabilities in amorphous solids and play a crucial role in explaining their mechanical failure, including the formation of shear bands. However, identifying Eshelby-like plastic events in glasses remains challenging due to their inherent structural and dynamical complexity. In this work, we show that Eshelby-like structures can be precisely identified and localized using a topological invariant known as the continuous Burgers vector. By combining analytical and simulation techniques, we reveal the emergence of a topological Burgers ring around Eshelby plastic events, enabling the precise identification of their center of mass and capturing their orientation as well. This proposed method offers a clear and unambiguous framework to locate and characterize the plastic rearrangements that govern plasticity in glasses.

cond-mat.dis-nn↗

arXiv2025

Shear-induced diffusivity in supercooled liquids

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. Here, 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 due to the crowded energy landscape. The obtained formula recovers the effective diffusivity with a correction term linear in the shear rate, in reasonable 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 compared with molecular simulations of supercooled water and supercooled Lennard-Jones liquids. The comparison suggests that the predicted enhancement of diffusivity is inversely proportional to temperature and directly proportional to the zero shear viscosity.

cond-mat.soft↗

arXiv2025

Ionic glass formers show an inverted relation between fragility and relaxation broadness

Supercooled liquids undergo a rapid change in dynamics as they are cooled to their glass transition temperature and turn from a flowing liquid into an amorphous solid. Depending on how steeply the viscosity changes with temperature around the glass transition, glass formers are classified as strong or fragile. An empirical relation exists between the fragility of the liquid and the broadness of its relaxation spectrum. However, the microscopic origins of this correlation remain unclear and its generality has been debated\cite. Here, we demonstrate that this relationship is inverted in organic materials with ionic interactions. We introduce a novel class of materials consisting of highly charged hydrophobic polymers cross-linked via moderated ionic interactions, and show that these combine a strong glass transition with an unusually broad mechanical relaxation spectrum. By surveying a large variety of ionic liquids, polymerized ionic liquids, and ionomers, we show that all these charged materials follow a trend between fragility and relaxation broadness that is opposite to that of non-charged materials. This finding suggests a special role of long-ranged ionic interactions in vitrification and opens up a route toward developing new materials that combine the processability of strong glass formers with the mechanical dissipation of polymers.

cond-mat.soft↗

arXiv2025

Microscopic origin of shear bands in 2D amorphous solids from topological defects

The formation of shear bands in amorphous solids such as glasses has remained an open question in our understanding of condensed matter and amorphous materials. Unlike in crystals, well-defined topological defects such as dislocations have been elusive due to the lack of a periodic ordered background at the atomic level. Recently, topological defects have been identified in the displacement field and in the eigenvectors of amorphous solids. Recent work has suggested that shear bands in amorphous solids coincide with an alignment of vortex-antivortex dipoles, with alternating topological charge +1/-1. Here we numerically confirm this hypothesis by means of well-controlled simulations in 2D. Surprisingly, we show that a chain of topological defects (TDs) pre-exists the shear band and is visible already in the non-affine displacement field of the elastic regime. This chain is activated into a flow band concomitantly with the disappearance and possibly annihilation of a dipole at a distance from the TDs chain. The possible underlying mechanism is reminiscent of a soliton-like rarefaction pulse remotely activated by dipole annihilation as observed in superfluid Bose-Einstein condensates.

cond-mat.soft↗

arXiv2025

Viscosity of polymer melts using non-affine theory based on vibrational modes

Viscosity, a fundamental transport and rheological property of liquids, quantifies the resistance to relative motion between molecular layers and plays a critical role in understanding material behavior. Conventional methods, such as the Green-Kubo (GK) approach, rely on time integration of correlation functions, which becomes computationally intensive near the glass transition due to slow correlation decay. A recently proposed method based on non-affine lattice dynamics (NALD) and instantaneous normal mode analysis offers a promising alternative for estimating the viscosity. In this study, we apply the NALD approach to compute the viscosity of the Kremer-Grest polymer system over a range of temperatures and compare these results with those from the GK method and non-equilibrium molecular dynamics simulations. Our findings reveal that all vibration modes, including the instantaneous normal modes, contribute to the viscosity. This work presents an efficient framework for calculating viscosity across diverse systems, including near the glass transition where the GK method is no longer applicable. Also, it opens the avenue to understanding the role of different vibrational modes linked with structure, facilitating the design of materials with tunable rheological properties.

cond-mat.soft↗