Related papers: Bending Deformation Driven by Molecular Rotation
We investigate the structure and equilibrium linear-response dynamics of suspensions of hard colloidal dumbbells using Brownian Dynamics computer simulations. The focus lies on the dense fluid and plastic crystal states of the colloids with…
For chiral liquid crystals that express topologically protected defects and thermally driven mechanical rotation, the size- and temperature-driven reversal of the rotational direction of their droplets was demonstrated even under a fixed…
Point defects in real crystals at finite temperatures are inevitable. Their dynamics severely influence the mechanical properties of crystals under shear giving rise to nonlinear effects such as ductility. Therefore, it is crucial to…
Intermetallics, which encompass a wide range of compounds, often exhibit similar or closely related crystal structures, resulting in various intermetallic systems with structurally derivative phases. This study examines the hypothesis that…
The dynamics of a spherical chemically-powered synthetic colloidal motor that operates by a self-diffusiophoretic mechanism and has a catalytic domain of arbitrary shape is studied using both continuum theory and particle-based simulations.…
The dissociation of methane on transition metals is an important reaction in catalysis. It is the rate limiting step in steam reforming to produce syngas. Molecular beam experiments have shown that the energy in the internal vibrations are…
Predicting the behaviour of complex systems is one of the main goals of science. An important example is plastic deformation of micron-scale crystals, a process mediated by collective dynamics of dislocations, manifested as broadly…
Fractal patterns are observed in computational mechanics of elastic-plastic transitions in two models of linear elastic/perfectly-plastic random heterogeneous materials: (1) a composite made of locally isotropic grains with weak random…
We report observations of unusal \emph{first} plastic events in silica and metallic glasses in the shear startup regime at applied strain two orders of magnitude smaller than yield strain. The (non-Affine) particle displacement field during…
Using molecular dynamics simulation we examine dynamics in sheared polycrystal states in a binary mixture containing 10% larger particles in two dimensions. We find large stress fluctuations arising from sliding motions of the particles at…
We simulate the twist of carbon nanotubes using atomic molecular dynamic simulations. The ultimate twist angle per unit length and the deformation energy are calculated for nanotubes of different geometries. It is found that the big tube is…
A Chain of Springs and Masses (CSM) model is used in the interpretation of molecular dynamics (MD) simulations of movement of atoms in orientated FCC crystals. A force of dynamic origin is found that is perpendicular to the direction of the…
A single frictional elastic disk, supported against gravity by two others, rotates steadily when the supports are vibrated and the system is tilted with respect to gravity. Rotation is here studied using Molecular Dynamics Simulations, and…
We investigate the dynamics of elastic capsules suspended in two-dimensional active nematic fluids using lattice Boltzmann simulations. The capsules, modeled as flexible membranes enclosing active internal regions, exhibit a rich variety of…
The size and shape of a large variety of polymeric particles, including biological cells, star polymers, dendrimes, and microgels, depend on the applied stresses as the particles are extremely soft. In high-density suspensions these…
Manipulating and coupling molecule gears is the first step towards realizing molecular-scale mechanical machines. Here, we theoretically investigate the behavior of such gears using molecular dynamics simulations. Within a nearly rigid-body…
In recent years molecular elasticity has emerged as an active area of research: there are experiments that probe mechanical properties of single biomolecules such as DNA and Actin, with a view to understanding the role of elasticity of…
We investigate the relaxation of rectangular wrinkled thin films intrinsically containing an initial strain gradient. A preferential rolling direction, depending on wrinkle geometry and strain gradient, is theoretically predicted and…
A fascinating effect belonging to the field of vacuum forces and fluctuations is that of quantum friction. It refers to the prediction of a dissipative force acting on a moving object due to the quantum vacuum field. In this work, we…
A consistent, small scale description of plastic motion in a crystalline solid is presented based on a phase field description. By allowing for independent mass motion given by the phase field, and lattice distortion, the solid can remain…