Related papers: Atomistic Simulation of Compression Wave Propagati…
This paper is concerned with the diffusion of a fluid through a viscoelastic solid undergoing large deformations. Using ideas from the classical theory of mixtures and a thermodynamic framework based on the notion of maximization of the…
This paper deals with the condensation of liquid droplets on hydrophobic and hydrophilic surfaces. A stochastic mesoscale model based on the theory of fluctuating hydrodynamics and the thermodynamics of a diffuse interface approach shows…
Ionic liquids constrained at interfaces or restricted in subnanometric pores are increasingly employed in modern technologies, including energy applications. Understanding the details of their behavior in these conditions is therefore…
It is well stablished that confinement of supercooled liquids in nano-pores induces various effects as a strong modification of the dynamics and a layering of the local structure. In this work we raise the issue as how these confinement…
We use numerical simulations to compute the equation of state of a suspension of spherical, self-propelled nanoparticles. We study in detail the effect of excluded volume interactions and confinement as a function of the system temperature,…
Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…
We propose a theoretical framework to calculate capillary stresses in complex mesoporous materials, such as moist sand, nanoporous hydrates, and drying colloidal films. Molecular simulations are mapped onto a phase-field model of the…
We present results of computer simulations of a parahydrogen cluster of a thousand molecules, corresponding to approximately 4 nm in diameter, at temperatures between 1 K and 10 K. Examination of structural properties suggests that the…
We use dedicated microfluidic devices to expose soft hydrogel particles to a rapid change in the externally applied osmotic pressure and observe a non-monotonic response: After an initial rapid compression the particle slowly reswells to…
Here, we investigate the physical mechanisms that may enable squeezing a complex electromagnetic field distribution through a narrow and/or partially obstructed region with little amplitude and phase distortions. Following our recent works,…
Active particles locally transduce energy into motion, leading to unusual and emergent behaviors. However, current synthetic particles lack sensing and adaptation mechanisms. Here, we demonstrate a novel regulation pathway, through the…
As a model for a suspension of hard-sphere like colloidal particles where small nonadsorbing dissolved polymers create a depletion attraction, we introduce an effective colloid-colloid potential closely related to the Asakura-Oosawa model…
A new computational method is presented to resolve hydrodynamic interactions acting on solid particles immersed in incompressible host fluids. In this method, boundaries between solid particles and host fluids are replaced with a continuous…
The process of structural relaxation in disordered solids subjected to repeated tension-compression loading is studied using molecular dynamics simulations. The binary glass is prepared by rapid cooling well below the glass transition…
Molecule- and solid-state gears build the elementary constituents of nanoscale mechanical machineries. Recent experimental advances in fabrication technologies in the field have strongly contributed to better delineate the roadmap towards…
We present a direct numerical simulation method for investigating the dynamics of dispersed particles in a compressible solvent fluid. The validity of the simulation is examined by calculating the velocity relaxation of an impulsively…
We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based…
We describe several unexpected phenomena, caused by a solid-solid phase transition (gel-to-crystal) typical for all main classes of lipid substances - phospholipids, triglycerides, diglycerides, alkanes, etc. We discovered that this…
Large scale molecular dynamics simulations are used to investigate the structural and dynamical modifications of supercooled water when confined inside an hydrophilic nanopore. We then investigate the evolution of the auto-organization of…
Nanoparticles grown in a plasma are used to visualize the process of film deposition in a pulsed radio-frequency (rf) atmospheric pressure glow discharge. Modulating the plasma makes it possible to successfully prepare porous TiO2 films. We…