Related papers: Shear induced martensitic transformations in cryst…
In this paper, we have studied polystyrene (PS) and polyethylene (PE) stiffness by 3-dimensional Langevin Molecular Dynamics simulation. Hard polymers have a very small bending, and thus, their end-to-end distance is more than soft…
Although the behavior of entangled polymers in startup shear flows with constant shear rates has been thoroughly investigated, the response under creep has not been frequently considered. In this study, primitive chain network simulations,…
We investigate the molecular origin of shear-thinning in melts of flexible, semiflexible and rigid oligomers with coarse-grained simulations of a sheared melt. Alignment, stretching and tumbling modes or suppression of the latter all…
Polymer crystallization is a process of great interest in both fundamental theory and industrial settings, particularly in polymer processing and applications involving semi-crystalline materials. The effect of processing on the initial…
We present a hybrid simulation method which allows one to study the dynamical evolution of self-assembling (co)polymer solutions in the presence of hydrodynamic interactions. The method combines an established dynamic density functional…
We present theory and simulation of simultaneous chemical demixing and phase ordering in a polymer-liquid crystal mixture in conditions where isotropic- isotropic phase separation is metastable with respect to isotropic-nematic phase…
Direct experimental characterization of indentation-induced martensitic microstructures in pseudoelastic shape memory alloys (SMAs) is not possible, and thus there is a lack of evidence and understanding regarding the microstructure pattern…
The onset of nonlinear effects in metals, such as plasticity and damage, is strongly influenced by the heterogeneous stress distribution at the grain level. This work is devoted to studying the local stress distribution of shear stresses…
The Fe-Mn-based alloys are receiving immense attention due to their applications in the third generation of advanced high-strength steels, owing to their high strength and ductility. A detailed in situ high-pressure structural phase…
The polymer dynamics of homogeneous C$_{60}$-polystyrene mixtures in the molten state are studied via molecular simulations using two interconnected levels of representation for polystyrene nanocomposites: (a) A coarse-grained…
Utilizing molecular dynamics simulations, we report a non-monotonic dependence of the shear stress on the strength of an external magnetic field ($H$) in a liquid-crystalline mixture of magnetic and non-magnetic anisotropic particles. This…
Amorphous materials of homogeneous structures usually suffer from nonuniform deformation under shear, which can develop into shear localization and eventually destructive shear band. One approach to tackle this issue is to introduce an…
We study a system of classical particles in two dimensions interacting through an isotropic pair potential that displays a martensitic phase transition between a triangular and a rhomboidal structure upon the change of a single parameter.…
We present theory and simulation of simultaneous chemical demixing and phase ordering in a polymer-liquid crystal mixture in conditions where isotropic-isotropic phase separation is metastable with respect to isotropic-nematic phase…
Using molecular simulations and classical density functional theory, we study the liquid-crystalline phase behaviour of a series of bent rod-like mesogens with a controlled degree of chirality introduced through a twist at the centre of the…
Morphogenetic dynamics of tissue sheets require coordinated cell shape changes regulated by global patterning of mechanical forces. Inspired by such biological phenomena, we propose a minimal mechanochemical model based on the notion that…
Cyclic loading on granular packings and amorphous media exhibits a transition from reversible elastic behavior to irreversible plasticity. The present study compares the irreversibility transition and microscopic details of colloidal…
We investigate the behavior of colloidal suspensions with different volume fractions confined between parallel walls under a range of steady shears. We model the particles using molecular dynamics (MD) with full hydrodynamic interactions…
Pressure not only provides a powerful way to tune the crystal structure of transition metal dichalcogenides (TMDCs) but also promotes the discovery of exotic electronic states and intriguing phenomena. Structural transitions from the…
Shape memory alloys are a class of ferroic materials which undergo a structural (martensitic) transition where the associated ferroic property is a lattice distortion (strain). The sensitiveness of the transition to the conjugated external…