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We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure.…
The study of vesicles in suspension is important to understand the complicated dynamics exhibited by cells in vivo and in vitro. We developed a computer simulation based on the boundary-integral method to model the three dimensional…
In the context of subaqueous ripple and dune formation, we present here a Reynolds averaged calculation of the turbulent flow over a topography. We perform a weakly non-linear expansion of the velocity field, sufficiently accurate to…
Lightweight, single-use explosion containment structures provide an effective solution for neutralizing rogue explosives, combining affordability with ease of transport. This paper introduces a three-stage simulation framework that captures…
Fractures are ubiquitous in the subsurface. The flow and mechanical properties of these fractures are controlled by its compliance or stiffness. Characterizing fracture compliance and conductivity is crucial in applications such as fault…
A FLIP device gives cross-sectional area along the length of the esophagus and one pressure measurement, both as a function of time. Deducing mechanical properties of the esophagus including wall material properties, contraction strength,…
We investigate bulk structural properties of tetravalent associating particles within the framework of classical density functional theory, building upon Wertheim's thermodynamic perturbation theory. To this end, we calculate density…
A light-weight "inflatable" tensioned-membrane-structure vacuum container is proposed and its stability is analyzed. The proposed structure consists of a pressurized lobed cylindrical "wall" surrounding a central evacuated space. Stability…
Using the Surface Evolver software, we perform numerical simulations of point-like deformations in a two-dimensional foam. We study perturbations which are infinitesimal or finite, isotropic or anisotropic, and we either conserve or do not…
The constitutive relation of the quasi-static deformation on two dimensional packed samples of polygons is calculated using molecular dynamic simulations. The stress values at which the system remains stable are bounded by a failure…
Fluids with spatial density variations of single or mixed molecules play a key role in biophysics, soft matter and materials science. The fluid structures usually form via spinodal decomposition or nucleation following an instantaneous…
Using the Fundamental-Measure Density Functional Theory, we have studied theoretically the phase behavior of extremely confined mixtures of parallel hard squares in slit geometry. The pore width is chosen such that configurations consisting…
Extensive molecular simulations are applied to characterize the equilibrium dynamics, entanglement topology, and nonlinear extensional rheology of symmetric ring-linear polymer blends with systematically varied ring fraction $\phi_R$.…
The steady motion and deformation of a lipid-bilayer vesicle translating through a circular tube in low Reynolds number pressure-driven flow are investigated numerically using an axisymmetric boundary element method. This fluid-structure…
We investigate the two-dimensional flow of a liquid foam around circular obstacles by measuring all the local fields necessary to describe this flow: velocity, pressure, bubble deformations and rearrangements. We show how our experimental…
Complex fluids subjected to localized microscopic energy inputs, typical of active microrheology setups, exhibit poorly understood nonequilibrium behaviors because of the intricate self-organization of their mesoscopic constituents. In this…
We derive general depth-integrated model equations for overland flows featuring the evolution of suspended sediment that may be eroded from or deposited onto the underlying topography ('morphodynamics'). The resulting equations include…
The present work demonstrates the use of resolvent analysis to obtain physical insights for open-cavity flows. Resolvent analysis identifies the flow response to harmonic forcing, given a steady base state, in terms of the response and…
The interaction between a turbulent convective boundary layer (CBL) and the underlying land surface is an important research problem in the geosciences. In order to model this interaction adequately, it is necessary to develop tools which…
The study of elastic structures embedded with fluid-filled cavities received considerable attention in fields such as autonomous materials, sensors, actuators, and smart systems. This work studies an elastic beam embedded with a set of…