Related papers: Unexpected ductility in semiflexible polymer glass…
We report on an extensive study of craze formation in glassy polymers. Molecular dynamics simulations of a coarse-grained bead-spring model were employed to investigate the molecular level processes during craze nucleation, widening, and…
We combine molecular dynamics simulations of deformations at the submicron scale with a continuum fracture mechanics calculation for the onset of crack propagation to predict the macroscopic fracture toughness of amorphous glassy polymers.…
Using molecular dynamics simulations, we show that a widely-accepted theoretical prediction for glassy-polymeric strain hardening moduli ($G_R \propto \rho_e$, where $\rho_e$ is the entanglement density) fails badly for semiflexible…
The existence of nanoscale ductility during the fracture of silicate glasses remains controversial. Here, based on molecular dynamics simulations coupled with topological constraint theory, we show that nano-ductility arises from the…
We perform kinetic Monte Carlo simulations of a distinguishable-particle lattice model of structural glasses with random particle interactions. By varying the interaction distribution and the average particle hopping energy barrier, we…
An empirical potential that has been widely used to perform molecular dynamics studies on the fracture behavior of FeP metallic glasses is shown to exhibit spinodal decomposition in the composition range commonly studied. The phosphorous…
Molecular dynamics simulations are used to study a unique expanded jammed state. Tension transforms many glassy polymers from a dense glass to a network of fibrils and voids called a craze. Entanglements between polymers and interchain…
We use large-scale simulations to investigate the dynamic fracture of silica and sodium-silicate glasses under uniaxial tension. The stress-strain curves demonstrate that silica glass is brittle whereas the glasses rich in Na show…
We present computer simulations of concentrated solutions of unknotted nonconcatenated semiflexible ring polymers. Unlike in their flexible counterparts, shrinking involves a strong energetic penalty, favoring interpenetration and…
We have studied the compact phase conformations of semi-flexible polymer chains confined in two dimensional nonhomogeneous media, modelled by fractals that belong to the family of modified rectangular (MR) lattices. Members of the MR family…
Marginal stability is the notion that stability is achieved, but only barely so. This property constrains the ensemble of configurations explored at low temperature in a variety of systems, including spin, electron and structural glasses. A…
We utilize the generalized entropy theory (GET) of glass formation to address one of the most singular and least understood properties of polymer glass-forming liquids in comparison to atomic and small molecule liquids -- the often…
We study with molecular dynamics simulations of a generic bead-spring model the cyclic crazing behaviour of glassy polymers. The aim is to elucidate the mechanical response of sole fibrillated craze matter as well as its interaction with…
Understanding, predicting and eventually improving the resistance to fracture of silicate materials is of primary importance to design new glasses that would be tougher, while retaining their transparency. However, the atomic mechanism of…
By taking advantage of the molecular weight dependence of the glass transition of polymers and their ability to form perfectly miscible blends, we propose a way to modify the fragility of a system, from fragile to strong, keeping the same…
When two graphene sheets are twisted relative to each other by a small angle, enhanced correlations lead to superconductivity whose origin remains under debate. Here, we derive some general constraints on superconductivity in twisted…
We performed calorimetric studies of 26 metallic glasses and calculated the excess entropy and excess enthalpy with respect to their counterpart crystals. On this basis, we introduced a dimensionless entropy-based parameter {\sigma}scl,…
Theoretical analyses and experiments have been carried out to investigate fracture behavior of glassy polymers. Our birefringence measurements quantify the local stress buildup at cut tip during different stages of drawing. Based on…
We perform molecular dynamics simulations for a silica glass former model proposed by Coslovich and Pastore (CP) over a wide range of densities. The density variation can be mapped onto the change of the potential depth between Si and O…
According to the droplet picture of spin glasses, the low-temperature phase of spin glasses should be replica symmetric. However, analysis of the stability of this state suggested that it was unstable and this instability lends support to…