Related papers: Modelling the thermo-mechanical volume change beha…
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.…
We describe a model for the thermodynamics and dynamics of glass-forming liquids in terms of excitations from an ideal glass state to a Gaussian manifold of configurationally excited states. The quantitative fit of this three parameter…
We present results of a simulation study of inelastic hard-disks vibrated in a vertical container. An Event-Driven Molecular Dynamics method is developed for studying the onset of convection. Varying the relevant parameters (inelasticity,…
In this work, we investigate the transient rheological behavior of two soft glassy materials: a clay dispersion and a silica gel, emphasizing their unconventional shear stress build-up behavior under conditions of constant imposed strain.…
We carry out strain-controlled in-situ compression experiments of micron-sized tungsten (W) micropillars in the temperature range 300-900 K, together with simulations of three-dimensional discrete dislocation dynamics (DDD) at the same…
Cohesive granular materials, like wet sand, retain their shape before yielding under stress. This solid-like behavior is associated with elasticity. As the loading increases, the material typically flows. However, cohesive materials can…
In the framework of research into radioactive waste disposal, it was decided to investigate the thermally induce pore pressure occurring in the Callovo-Oxfordian claystone, a possible host rock in which the ANDRA underground laboratory of…
We develop a one-dimensional mathematical model for the loading process of hydrogen in a metal hydride tank. The model describes the evolution of the density and pressure of the hydrogen gas, the temperature of the tank, the averaged…
Extensibility is beyond the paradigm of classical soft glassy materials, and more broadly, yield-stress fluids. Recently, model yield-stress fluids with significant extensibility have been designed by adding polymeric phases to classically…
Jammed packings of granular materials differ from systems normally described by statistical mechanics in that they are athermal. In recent years a statistical mechanics of static granular media has emerged where the thermodynamic…
CO2 injection into a saline aquifer crossed by a tectonic fault is studied with coupled fluid mechanics - geomechanics modeling. The simulation approach is based on coupling of the MUFITS reservoir simulator and the FLAC3D mechanical…
Viscoplastic deformation of shale is frequently observed in many subsurface applications. Many studies have suggested that this viscoplastic behavior is anisotropic---specifically, transversely isotropic---and closely linked to the layered…
Structures with artificial mechanical properties, often called mechanical metamaterials, exhibit divergent yet tunable performance. Various types of mechanical metamaterials have been proposed, which harness light or magnetic interactions,…
Although transient convection is ubiquitous in natural and manmade phenomena, few research works attempted to make a compact model for it, altogether, others attempted a compact model that contradicts problem physics. The correct modelling…
Sizable glass formers feature numerous unique properties and potential applications, but many questions regarding their glass transition dynamics have not been resolved yet. Here we analyzed structural relaxation times measured as a…
We derive from particle-level dynamics a constitutive model describing the rheology of two-dimensional dense soft suspensions below the jamming transition, in a regime where hydrodynamic interactions between particles are screened. Based on…
Computer simulations have been employed in recent years to evaluate the configurational entropy changes in model glass-forming liquids. We consider two methods, both of which involve the calculation of the `intra-basin' entropy as a means…
The space-time dynamics of rigid inhomogeneities (inclusions) free to move in a randomly fluctuating fluid bio-membrane is derived and numerically simulated as a function of the membrane shape changes. Both vertically placed (embedded)…
Since the structural transformations observed in water-ethanol binary mixtures are apparently driven by relatively weak intermolecular forces (like hydrophobicity and hydrogen bonding) that often cooperate to form self assembled structures,…
Rock geophysical properties are widely reported to exhibit non-linear behaviours under low-stress conditions (below 10-20 MPa) before transitioning to the linear elastic stage, primarily due to the closure of microcracks and grain…