Related papers: Dynamic transition from $\alpha$-helices to $\beta…
Biological cells in soft materials can be modeled as anisotropic force contraction dipoles. The corresponding elastic interaction potentials are long-ranged ($\sim 1/r^3$ with distance $r$) and depend sensitively on elastic constants,…
Starting from a model of 4f-electron generated quadrupolar densities on a compressible fcc lattice, the elastic anomalies at the Fm3m -> Pa3 phase transition are studied by means of analytical theory. The model is taken as representative…
We study the model of a partially directed flexible or semi-flexible homopolymer on a square lattice, subject to an externally applied force, in a direction either parallel to, or perpendicular to the preferred direction. The polymer is…
The mechanical response of intrinsically disordered proteins (IDPs) and polyampholyte (PA) chains is vital for understanding their biological functions and designing functional materials. We investigate the force-extension behavior of a PA…
The plastic deformation of Polybutylene terephthalate (PBT) is investigated at three temperatures (120$^\circ$C, 150$^\circ$C, 180$^\circ$C) representative of the span between glass transition, $T_g \approx 55^\circ$C and melting $T_m…
We present results from extensive simulations of driven vortex lattices interacting with periodic arrays of pinning sites. Changing an applied driving force produces a rich variety of novel dynamical plastic flow phases which are very…
The transport and deformation of confined droplets and flexible capsules are central to diverse phenomena and applications, from biological flows in microcapillaries to industrial processes in porous media. Inspired by experiments, we…
Extra-large deformations in ultra-soft elastic materials are ubiquitous, yet systematic studies and methods to understand the mechanics of such huge strains are lacking. Here we investigate this complex problem systematically with a simple…
We report the phase diagram of two-dimensional hard ellipses as obtained from replica exchange Monte Carlo simulations. The replica exchange is implemented by expanding the isobaric ensemble in pressure. The phase diagram shows four…
This work examines the conformational ensemble involved in $\beta$-hairpin folding by means of advanced molecular dynamics simulations and dimensionality reduction. A fully atomistic description of the protein and the surrounding solvent…
We present a scaled particle density functional study of two-dimensional binary mixtures of hard convex particles with one or both species being ellipses. In particular, we divide our study into two parts. The first part is devoted to the…
Nearly a quarter of genomic sequences and almost half of all receptors that are likely to be targets for drug design are integral membrane proteins. Understanding the detailed mechanisms of the folding of membrane proteins is a largely…
This paper presents a theory for the behaviour of isotropic-hardening/softening elastoplastic materials that do not have a preferred reference configuration. In spite of important differences, many ingredients of classical plasticity are…
We use numerical simulations to study the phase behavior of a system of purely repulsive soft dumbbells as a function of size ratio of the two components and their relative degree of deformability. We find a plethora of different phases…
Blisters, delaminated regions that form in multilayered structures under compressive stresses, are observed across a wide range of length scales, from two-dimensional materials to protective coatings and laminated composites. Far from being…
In this study, we investigate the dynamics of particles overcoming the hydrodynamic barrier posed by a thin fluid film to achieve contact in finite time, a phenomenon critical in various natural and engineered processes such as enzyme…
The viscosity dependence of the folding rates for four sequences (the native state of three sequences is a beta-sheet, while the fourth forms an alpha-helix) is calculated for off-lattice models of proteins. Assuming that the dynamics is…
Highly-deformable materials, from synthetic hydrogels to biological tissues, are becoming increasingly important from both fundamental and practical perspectives. Their mechanical behaviors, in particular the dynamics of crack propagation…
We present a statistical mechanics analysis of the finite-size elasticity of biopolymers, consisting of domains which can exhibit transitions between more than one stable state at large applied force. The constant-force (Gibbs) and…
Controlled mechanical loading was applied to Ti-15Mo alloy during annealing at 550 $^\circ$C. Massive formation of the $\omega_{\textrm{iso}}$ phase from the parent $\beta$-phase occurred during annealing at 550 $^\circ$C without external…