Related papers: Predicting the Brittle-to-Ductile Transition in Am…
Hyper-viscoelastic polymers have multiple areas of application including aerospace, biomedicine, and automotive. Their mechanical responses are therefore extremely important to understand, particularly because they exhibit strong rate and…
It has been revealed by mean-field theories and computer simulations that the nature of the collapse transition of a polymer is influenced by its bending stiffness $\epsilon_{\rm b}$. In two dimensions, a recent analytical work demonstrated…
We study the yielding transition of a two dimensional amorphous system under shear by using a mesoscopic elasto-plastic model. The model combines a full (tensorial) description of the elastic interactions in the system, and the possibility…
The temperature dependence of the hydrodynamic boundary condition between a PDMS melt and two different non-attractive surfaces made of either an OTS (octadecyltrichlorosilane) self-assembled monolayer (SAM) or a grafted layer of short PDMS…
The stability of a $\beta$-sheeted conformation and its transition into a random coil are studied with a 2D lattice biopolymer model. At low temperature and low external force, the polymer folds back and forth on itself and forms a…
The yielding transition that occurs in amorphous solids under athermal quasistatic deformation has been the subject of many theoretical and computational studies. Here, we extend this analysis to include thermal effects at finite shear…
We introduce a lattice model able to describe damage and yielding in heterogeneous materials ranging from brittle to ductile ones. Ductile fracture surfaces, obtained when the system breaks once the strain is completely localized, are shown…
In the framework of the suggested in [arxiv:1803.08247 [cond-mat.mtrl-sci]] statistical theory of the equilibrium flow stress, including yield strength, ${\sigma}_y$, of polycrystalline materials under quasi-static (in case of tensile…
Quantitative understanding of the fracture toughness of metallic glasses, including the associated ductile-to-brittle transitions, is not yet available. Here we use a simple model of plastic deformation in glasses, coupled to an advanced…
The breakdown of the time-temperature superposition (TTS) near its glass transition temperature (Tg) in simple bead-spring polymer melts with and without the chain angle potential was numerically investigated. The stress relaxation modulus…
The microscopic model of semi-crystalline polymer in high-elastic state is proposed. The model is based on the assumption that, below the melting temperature, the semi-crystalline polymer comprises crystal nuclei connected by stretched…
The impact of variable material properties, such as temperature-dependent thermal conductivity and dynamical viscosity, on the dynamics of a fully compressible turbulent convection flow beyond the anelastic limit are studied in the present…
Understanding the nature of glass transition, as well as precise estimation of the glass transition temperature for polymeric materials, remain open questions in both experimental and theoretical polymer sciences. We propose a data-driven…
Molecular Dynamics (MD) computer simulations of a polydisperse soft-sphere model under shear are presented. Starting point for these simulations are deeply supercooled samples far below the critical temperature, $T_c$, of mode coupling…
The toughness of a polymer material can increase significantly if two networks are combined into one material. This toughening effect is a consequence of a transition from a brittle to a ductile failure response. Although this transition…
Understanding the fracture toughness of glasses is of prime importance for science and technology. We study it here using extensive atomistic simulations in which the interaction potential, glass transition cooling rate and loading geometry…
The influence of temperature on the deformation behaviour of the C15 CaAl$_2$ Laves phase, a key constituent for enhancing the mechanical properties of Mg alloys up to service temperatures of 200 {\deg}C, remains largely unexplored. This…
Two series of uniaxial tensile tests are performed on isotactic polypropylene with the strain rates ranging from 5 to 200 mm/min. In the first series, injection-molded specimens are used without thermal pre-treatment, whereas in the other…
Molecular dynamics simulations are increasingly being used to investigate the structural evolution of polymers during mechanical deformation, but relatively few studies focus on the influence of boundary conditions on this evolution, in…
We present computer simulations of a simple bead-spring model for polymer melts with intramolecular barriers. By systematically tuning the strength of the barriers, we investigate their role on the glass transition. Dynamic observables are…