Related papers: Molecular simulations of crazes in glassy polymers…
Fracture initiation in glassy polymers with no notch is studied together with the evolution at zero stress in the glassy state. Confocal microscopy observations and auto-correlation methods are used to characterize specimens of polymethyl…
The existence of a very special ratcheting regime has recently been reported in a granular packing subjected to cyclic loading \cite{alonso04}. In this state, the system accumulates a small permanent deformation after each cycle. After a…
The effect of cyclic loading on relaxation dynamics and mechanical properties of metallic glasses is studied using molecular dynamics simulations. We consider the Kob-Andersen three-dimensional binary mixture rapidly cooled across the glass…
In this work we use molecular dynamics simulations to study the stress overshoots of metallic glass Cu$_{50}$Zr$_{50}$ in three scenarios (unloading-reloading, slide-stop-slide, and stress serrations) that are associated with shear band…
Using a coarse-grained bead-spring model for semi-flexible macromolecules forming a polymer brush, structure and dynamics of the polymers is investigated, varying chain stiffness and grafting density. The anchoring condition for the grafted…
The dynamics of structural relaxation in a model polymer glass subject to spatially-homogeneous, time-periodic shear deformation is investigated using molecular dynamics simulations. We study a coarse-grained bead-spring model of short…
Mechanical properties are of central importance to materials sciences, in particular if they depend on external stimuli. Here we investigate the rheological response of amorphous solids, namely col- loidal glasses, to external forces. Using…
We have used molecular dynamics to simulate an amorphous glassy polymer with long chains to study deformation mechanism of crazing and associated void statistics. The Van der Waals interactions and the entanglements between chains…
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…
In the study presented in this paper, we analyzed the mechanical response of a glass fiber plain weave/polymer composite at the fabric millimetric mesoscale. The detail of the stress and strain fields in a fabric repeating unit cell was…
We perform molecular dynamic (MD) simulations of frictional non-thermal particles driven by an externally applied shear stress. After the system jams following a transient flow, we probe its mechanical response in order to clarify whether…
Discrete numerical simulations are performed to study the evolution of the micro-structure and the response of a granular packing during successive loading-unloading cycles, consisting of quasi-static rotations in the gravity field between…
The buckling of a soft elastic sample under growth or swelling has highlighted a new interest in materials science, morphogenesis, and biology or physiology. Indeed, the change of mass or volume is a common fact of any living species, and…
A thermodynamically related model is developed for describing elastic rubber-like behavior of amorphous and crystallizing polymers and demonstrated on example of simple extension. Both the “entropic” and “energetic”…
We report results of molecular-dynamics simulations for a glassy polymer melt consisting of short, linear bead-spring chains. It was shown in previous work that this onset of the glassy slowing down is compatible with the predictions of the…
The role of porous structure and glass density in response to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature…
Using molecular dynamics simulations, we provide chain-level insights into the dissimilarities in rearrangements of polymers under uniaxial tensile and compressive deformation in glassy and semicrystalline samples of varying chain lengths.…
The dynamic fragmentation of residually stressed solids involves a complex interplay between stored elastic energy, stress wave propagation, and crack instabilities. In this work, we investigate the fracture mechanics of chemically…
The dynamics of many glassy systems are known to exhibit string-like hopping motions each consisting of a line of particles displacing one and other. By using molecular dynamics simulations of glassy polymers, we show that these motions…
We study the stress distribution in a polymer brush material over a range of graft densities using molecular dynamics (MD) simulations and theory. Flexible polymer chains are treated as beads connected by nonlinear springs governed by a…