We perform thorough molecular-dynamics simulations to compare elasticity and yielding of atomic crystals and model semicrystalline polymers, the latter characterized by very similar positional ordering with respect to atomic crystals and considerable bond disorder. We find that the elastic modulus G, the shear yield strength, τY , and the critical yield strain εc of semicrystalline polymers are higher than (G, τY ), or comparable to (εc ), the corresponding ones of atomic crystals. The findings suggest that the bond disorder suppresses dislocation-mediated plasticity in polymeric solids with positional order
The goal of this thesis is to characterize the mechanical response to deforma- tions of a coarse-gra...
We have employed molecular dynamics simulations to study the behavior of virtual polymeric material...
We have employed molecular dynamics simulations to study the behavior of virtual polymeric materials...
The relation between elasticity and yielding is investigated in a model polymer solid by Molecular-D...
We study the relative stability of two different lattice types for model polymeric solids, using a r...
International audienceWe present results from molecular dynamics simulations for an all-atoms model ...
We apply a recently developed density functional theory for freely hinged, hard polymeric chains to ...
The aim of this study is to understand the mechanism governing the transition strain rate of the ela...
When deformed beyond their elastic limits, crystalline solids flow plastically via particle rearrang...
Strain is a crucial measure of materials deformation for evaluating and predicting the mechanical re...
International audienceThe elastic and large plastic deformations of semicrystalline polymers involve...
The mechanisms underlying the increase in stress for large mechanical strains of a polymer glass, qu...
International audienceThe mechanical properties of glasses are intimately related to the fine detail...
The goal of this thesis is to characterize the mechanical response to deforma- tions of a coarse-gra...
We have employed molecular dynamics simulations to study the behavior of virtual polymeric material...
We have employed molecular dynamics simulations to study the behavior of virtual polymeric materials...
The relation between elasticity and yielding is investigated in a model polymer solid by Molecular-D...
We study the relative stability of two different lattice types for model polymeric solids, using a r...
International audienceWe present results from molecular dynamics simulations for an all-atoms model ...
We apply a recently developed density functional theory for freely hinged, hard polymeric chains to ...
The aim of this study is to understand the mechanism governing the transition strain rate of the ela...
When deformed beyond their elastic limits, crystalline solids flow plastically via particle rearrang...
Strain is a crucial measure of materials deformation for evaluating and predicting the mechanical re...
International audienceThe elastic and large plastic deformations of semicrystalline polymers involve...
The mechanisms underlying the increase in stress for large mechanical strains of a polymer glass, qu...
International audienceThe mechanical properties of glasses are intimately related to the fine detail...
The goal of this thesis is to characterize the mechanical response to deforma- tions of a coarse-gra...
We have employed molecular dynamics simulations to study the behavior of virtual polymeric material...
We have employed molecular dynamics simulations to study the behavior of virtual polymeric materials...