We derive exact probability distributions for the strain ($ε$) at which the first stress drop event occurs in uniformly strained disordered crystals, with quenched disorder introduced through polydispersity in particle sizes. We characterize these first stress drop events numerically as well as theoretically, and identify them with the first contact breaking event in the system. Our theoretical results are corroborated with numerical simulations of quasistatic volumetric strain applied to disordered near-crystalline configurations of athermal soft particles. We develop a general technique to determine the $distribution$ of strains at which the first stress drop events occur, through an exact mapping between the cumulative distribution of first contact breaking events and the volume of a convex polytope whose dimension is determined by the number of defects $N_d$ in the system. An exact numerical computation of this polytope volume for systems with small numbers of defects displays a remarkable match with the distribution of strains generated through direct numerical simulations. Finally, we derive the distribution of strains at which the first stress drop occurs, assuming that individual contact breaking events are uncorrelated, which accurately reproduces distributions obtained from direct numerical simulations.
Phosphorene, a newly fabricated two-dimensional (2D) nanomaterial, have exhibited promising application prospect in biology. Nonetheless, the wetting and diffusive properties of bio-fluids on phosphorene are still elusive. In this study, using molecular dynamics (MD) simulations, we investigated the structural and dynamic properties of water on pristine and strained phosphorene. The MD simulations illustrated that the diffusion of water molecules on the phosphorene surface is anisotropic, while strain-enhanced diffusion is clearly present which arises from strain-induced smooth of the energy l…
Surface stress and surface energy are fundamental quantities which characterize the interface between two materials. Although these quantities are identical for interfaces involving only fluids, the Shuttleworth effect demonstrates that this is not the case for most interfaces involving solids, since their surface energies change with strain. Crystalline materials are known to have strain dependent surface energies, but in amorphous materials, such as polymeric glasses and elastomers, the strain dependence is debated due to a dearth of direct measurements. Here, we utilize contact angle measur…
Contact-based molecular dynamics of structured and disordered proteins in a coarse-grained model: fixed contacts, switchable contacts and those described by pseudo-improper-dihedral angles
Experiments measuring contact formation between a probe and quencher in disordered chains provide information on the fundamental dynamical timescales relevant to protein folding, but their interpretation usually relies on simplified one-dimensional (1D) diffusion models. Here, we use all-atom molecular simulations to capture both the time-scales of contact formation, as well as the scaling with the length of the peptide for tryptophan triplet quenching experiments. Capturing the experimental quenching times depends on the water viscosity, but more importantly on the configurational space explo…
We study the jamming phase diagram of sheared granular material using a novel Couette shear set-up with multi-ring bottom. The set-up uses small basal friction forces to apply a volume-conserving linear shear with no shear band to a granular system composed of frictional photoelastic discs. The set-up can generate arbitrarily large shear strain due to its circular geometry, and the shear direction can be reversed, allowing us to measure a feature that distinguishes shear-jammed from fragile states. We report systematic measurements of the stress, strain and contact network structure at phase b…
We investigate the mechanical response of packings of purely repulsive, frictionless disks to quasistatic deformations. The deformations include simple shear strain at constant packing fraction and at constant pressure, "polydispersity" strain (in which we change the particle size distribution) at constant packing fraction and at constant pressure, and isotropic compression. For each deformation, we show that there are two classes of changes in the interparticle contact networks: jump changes and point changes. Jump changes occur when a contact network becomes mechanically unstable, particles …
Recent diffraction experiments on metallic glasses have unveiled an unexpected non-cubic scaling law between density and average interatomic distance, which lead to the speculations on the presence of fractal glass order. Using X-ray tomography we identify here a similar non-cubic scaling law in disordered granular packing of spherical particles. We find that the scaling law is directly related to the contact neighbors within first nearest neighbor shell, and therefore is closely connected to the phenomenon of jamming. The seemingly universal scaling exponent around 2.5 arises due to the isost…
Stress in dense granular materials and other athermal particle aggregates is transmitted through a visually striking subnetwork of interparticle contacts, the filamentary segments of which are referred to as force chains. The emergence of such preferred subnetwork in structurally disordered media with constituents interacting primarily by physical contact is not fully understood. In this work, we study locally correlated transport in Random Geometric Graphs (RGGs), and show the spontaneous emergence of preferred subnetwork. Our findings reveal that, despite structural disorder, system spanning…
Dense granular materials and other particle aggregates transmit stress in a manner that belies their microstructural disorder. A subset of the particle contact network is strikingly coherent, wherein contacts are aligned nearly linearly and transmit large forces. Important material properties are associated with these force chains, but their origin has remained a puzzle. We classify subnetworks by their linear connectivity, and show the emergence of a percolation transition at a critical linearity at which the network is sparse, coherent, and contains the force chains. The subnetwork at critic…
In this study, thin elastic films supported on a rigid substrate are brought into contact with a spherical glass indenter. Upon contact, adhesive fingers emerge at the periphery of the contact patch with a characteristic wavelength. Elastic films are also pre-strained along one axis before initiation of contact, causing the fingering pattern to become anisotropic and align with the axis along which the strain was applied. This transition from isotropic to anisotropic patterning is characterized quantitatively and a simple model is developed to understand the origin of the anisotropy.
The force distribution of jammed disordered packings has always been considered a central object in the physics of granular materials. However, many of its features are poorly understood. In particular, analytic relations to other key macroscopic properties of jammed matter, such as the contact network and its coordination number, are still lacking. Here we develop a mean-field theory for this problem, based on the consideration of the contact network as a random graph where the force transmission becomes a constraint optimization problem. We can thus use the cavity method developed in the las…
We report on the frictional properties of a single contact between a glassy polymer lens and a flat silica substrate covered either by a disordered or by a self-assembled alkylsilane monolayer. We find that, in contrast to common belief, the Amontons proportionality between frictional and normal stresses does not hold. Besides, we observe that the velocity dependence of the sliding stress is strongly sensitive to the structure of the silane layer. Analysis of the frictional rheology observed on both disordered and self-assembled monolayers suggests that dissipation is controlled by the plastic…
We numerically study the distribution P(f) of contact forces in frictionless bead packs, by averaging over the ensemble of all possible force network configurations. We resort to umbrella sampling to resolve the asymptotic decay of P(f) for large f, and determine P(f) down to values of order 10^{-45} for ordered and disordered systems in two and three dimensions. Our findings unambiguously show that, in the ensemble approach, the force distributions decay much faster than exponentially: P(f) ~ exp(-f^α), with alpha \approx 2.0 for 2D systems, and alpha \approx 1.7 for 3D systems.
We numerically study the binary disordered Poland-Scheraga model of DNA denaturation, in the regime where the pure model displays a first order transition (loop exponent $c=2.15>2$). We use a Fixman-Freire scheme for the entropy of loops and consider chain length up to $N=4 \cdot 10^5$, with averages over $10^4$ samples. We present in parallel the results of various observables for two boundary conditions, namely bound-bound (bb) and bound-unbound (bu), because they present very different finite-size behaviors, both in the pure case and in the disordered case. Our main conclusion is that the t…
Our understanding of the elasticity and rheology of disordered materials, such as granular piles, foams, emulsions or dense suspensions relies on improving experimental tools to characterize their behaviour at the particle scale. While 2D observations are now routinely carried out in laboratories, 3D measurements remain a challenge. In this paper, we use a simple model system, a packing of soft elastic spheres, to illustrate the capability of X-ray microtomography to characterise the internal structure and local behaviour of granular systems. Image analysis techniques can resolve grain positio…
Forecasting fracture locations in a progressively failing disordered structure is of paramount importance when considering structural materials. We explore this issue for gradual deterioration via beam breakage of two-dimensional disordered lattices, which we represent as networks, for various values of mean degree. We study experimental samples with geometric structures that we construct based on observed contact networks in 2D granular media. We calculate geodesic edge betweenness centrality, which helps quantify which edges are on many shortest paths in a network, to forecast the failure lo…
Amorphous materials as diverse as foams, emulsions, colloidal suspensions and granular media can jam into a rigid, disordered state where they withstand finite shear stresses before yielding. Here we review the current understanding of the transition to jamming and the nature of the jammed state for disordered packings of particles that act through repulsive contact interactions and are at zero temperature and zero shear stress. We first discuss the breakdown of affine assumptions that underlies the rich mechanics near jamming. We then extensively discuss jamming of frictionless soft spheres. …
The fact that a disordered material is not constrained in its properties in the same way as a crystal presents significant and yet largely untapped potential for novel material design. However, unlike their crystalline counterparts, disordered solids are not well understood. One of the primary obstacles is the lack of a theoretical framework for thinking about disorder and its relation to mechanical properties. To this end, we study an idealized system of frictionless athermal soft spheres that, when compressed, undergoes a jamming phase transition with diverging length scales and clean power-…
