Search results for "Ellipsoids"
showing 6 items of 6 documents
Approximation of Pore Space with Ellipsoids: A Comparison of a Geometrical Method with a Statistical one
2018
We work with tomographic images of pore space in soil. The images have large dimensions and so in order to speed-up biological simulations (as drainage or diffusion process in soil), we want to describe the pore space with a number of geometrical primitives significantly smaller than the number of voxels in pore space. In this paper, we use the curve skeleton of a volume to segment it into some regions. We describe the method to compute the curve skeleton and to segment it with a simple segment approximation. We approximate each obtained region with an ellipsoid. The set of final ellipsoids represents the geometry of pore space and will be used in future simulations. We compare this method …
Simulation of the dynamics of hard ellipsoids
2008
We study a system of uniaxial hard ellipsoids by molecular dynamics simulations, changing both the aspect-ratio X-0 (X-0 = a/b, where a is the length of the revolution axis and b is the length of the two other axes) and the packing fraction phi. We calculate the translational and rotational mean squared displacements, the translational D-trans and the rotational D-rot diffusion coefficients and the associated isodiffusivity lines in the phi - X-0 plane. For the first time, we characterize the cage effect through the logarithmic time derivative of log and log . These quantities exhibit a minimum if the system is supercooled and we show that, consistently with our previous findings, for large…
Dynamics of Uniaxial Hard Ellipsoids
2007
We study the dynamics of monodisperse hard ellipsoids via a new event-driven molecular dynamics algorithm as a function of volume fraction $\phi$ and aspect ratio $X_0$. We evaluate the translational $D_{trans}$ and the rotational $D_{rot}$ diffusion coefficient and the associated isodiffusivity lines in the $\phi-X_0$ plane. We observe a decoupling of the translational and rotational dynamics which generates an almost perpendicular crossing of the $D_{trans}$ and $D_{rot}$ isodiffusivity lines. While the self intermediate scattering function exhibits stretched relaxation, i.e. glassy dynamics, only for large $\phi$ and $X_0 \approx 1$, the second order orientational correlator $C_2(t)$ sho…
Molecular correlation functions for uniaxial ellipsoids in the isotropic state
2006
We perform event-driven molecular dynamics simulations of a system composed by uniaxial hard ellipsoids for different values of the aspect-ratio and packing fraction . We compare the molecular orientational-dependent structure factors previously calculated within the Percus-Yevick approximation with the numerical results. The agreement between theoretical and numerical results is rather satisfactory. We also show that, for specific orientational quantities, the molecular structure factors are sensitive to the particle shape and can be used to distinguish prolate from oblate ellipsoids. A first-order theoretical expansion around the spherical shape and a geometrical analysis of the configura…
Event-Driven Simulation of the Dynamics of Hard Ellipsoids
2008
We introduce a novel algorithm to perform event-driven simulations of hard rigid bodies of arbitrary shape, that relies on the evaluation of the geometric distance. In the case of a monodisperse system of uniaxial hard ellipsoids,we perform molecular dynamics simulations varying the aspect-ratio X0 and the packing fraction phi. We evaluate the translational Dtrans and the rotational Drot diffusion coefficient and the associated isodiffusivity lines in the phi-X0 plane. We observe a decoupling of the translational and rotational dynamics which generates an almost perpendicular crossing of the Dtrans and Drot isodiffusivity lines. While the self intermediate scattering function exhibits stret…
Approximation of pore space with ellipsoids: a comparison of a geometrical method with a statistical one.
2018
International audience; We work with tomographic images of pore space in soil. The images have large dimensions and so in order to speed-up biological simulations (as drainage or diffusion process in soil), we want to describe the pore space with a number of geometrical primitives significantly smaller than the number of voxels in pore space. In this paper, we use the curve skeleton of a volume to segment it into some regions. We describe the method to compute the curve skeleton and to segment it with a simple segment approximation. We approximate each obtained region with an ellipsoid. The set of final ellipsoids represents the geometry of pore space and will be used in future simulations.…