Structural features of pyrocarbon atomistic models constructed from transmission electron microscopy images

We report on atomistic models of laminar pyrocarbons constructed using a combination of 2D high resolution transmission electron microscopy (HRTEM) lattice fringe image analysis, 3D image synthesis and atomistic simulated annealing. In a first step, the effectiveness of the method and the convergence of the models with respect to the quench rate are checked on small systems. Then, the nanostructural features of large fully carbonaceous atomistic models obtained from the HRTEM images of a rough laminar pyrocarbon, as-prepared and after partial graphitization, are discussed. Both models show a very pronounced sp² character (?97%), essentially made of hexagonal rings (?88%) and pentagonal and heptagonal rings in similar amounts (≈6%). The latter mostly form pentagon-heptagon pairs or networks of line defects between misoriented hexagonal domains. Numerous pairs of screw dislocations, connecting different graphene domains, are also observed while edge dislocations with unsaturated carbon atoms are almost absent. The models are validated with respect to experimental pair distribution functions, showing excellent agreement.     

Modelling of carbon–carbon composite ablation in rocket nozzles

The modelling of ablation of carbon/carbon (C/C) composites utilized as rocket engine hot parts is addressed under the angle of the competition between bulk transport of reactants and heterogeneous mass transfer, associated to reactivity contrasts between constituent phases. A numerical solver based on a simple model and built on a VOF technique allows direct simulation at two scales. Its application to actual complex materials is performed; the results are consistent with experimental data and help understanding the origin of the material behaviour, either in terms of acquired surface morphology or in terms of effective recession rate.     

Adaptive estimation of normals and surface area for discrete 3-D objects: application to snow binary data from X-ray tomography.

Estimating the normal vector field on the boundary of discrete three-dimensional objects is essential for rendering and image measurement problems. Most of the existing algorithms do not provide an accurate determination of the normal vector field for shapes that present edges. Here, we propose a new and simple computational method in order to obtain accurate results on all types of shapes, whatever their local convexity degree. The presented method is based on the gradient vector field analysis of the object distance map. This vector field is adaptively filtered around each surface voxel using angle and symmetry criteria so that as many relevant contributions as possible are accounted for. This optimizes the smoothing of digitization effects while preserving relevant details of the processed numerical object. Thanks to the precise normal field obtained, a projection method can be proposed to immediately derive the surface area from a raw discrete object. An empirical justification of the validity of such an algorithm in the continuous limit is also provided. Some results on simulated data and snow images from X-ray tomography are presented, compared to the Marching Cubes and Convex Hull results, and discussed.     

Analytical modeling of the steady state ablation of a 3D C/C composite

Following an analysis of surface roughness features that develop on a 3D C/C composite during ablation, i.e. wall recession by oxidation and/or sublimation, a modeling strategy is set up in order to predict the composite behavior from that of its components. It relies on two changes of scale: (i) microscopic scale (fiber, matrix) to mesoscopic scale (bundle) and (ii) mesoscopic scale (bundle, matrix) to macroscopic scale (composite). The physical basis is a general model for receding surfaces under a gasification process coupled to mass transfer. At each scale, the 3D surface equation is analytically solved in steady state considering a 1-D mass transfer perpendicular to the overall surface. The models are validated by comparison to experimental data.     

A Brownian motion technique to simulate gasification and its application to C/C composite ablation

Ablation of carbon–carbon composites (C/C) results in a heterogeneous surface recession mainly due to some gasification processes (oxidation, sublimation) possibly coupled to bulk mass transfer. In order to simulate and analyse the material/environment interactions during ablation, a Brownian motion simulation method featuring special Random Walk rules close to the wall has been implemented to efficiently simulate mass transfer in the low Péclet number regime. A sticking probability law adapted to this kind of Random Walk has been obtained for first-order heterogeneous reactions. In order to simulate the onset of surface roughness, the interface recession is simultaneously handled in 3D using a Simplified Marching Cube discretization. This tool is validated by comparison to analytical models. Then, its ability to provide reliable and accurate solutions of ablation phenomena in 3D is illustrated.     

Optimal orientation estimators for detection of cylindrical objects

This paper introduces low-level operators in the context of detecting cylindrical axis in 3D images. Knowing the axis of a cylinder is particularly useful since its location, length and curvature derive from this knowledge. This paper introduces a new gradient-based optimal operator dedicated to accurate estimation of the direction toward the axis. The operator relies on Finite Impulse Response filters. The approach is presented first in a 2D context, thus providing optimal gradient masks for locating the center of circular objects. Then, a 3D extension is provided, allowing the exact estimation of the orientation toward the axis of cylindrical objects when this axis coincides with one of the mask reference axes. Applied to more general cylinders and to noisy data, the operator still provides accurate estimation and outperforms classical gradient operators.     

Oil removal from water by selective sorption on hydrophobic cotton fibers. 1. Study of sorption properties and comparison with other cotton fiber-based sorbents

Hydrophobic cotton fibers, obtained by acylation of cellulose with fatty acid using microwaves radiations, have a high selective affinity for vegetable or mineral oil, fuel, and petroleum, in aqueous medium. Their sorption capacity (SC) (weight of liquid picked up by a given weight of sorbent) is about 20 g/g, after draining. They are reusable after simple squeezing, and their SC reaches a constant value, ca. 12 g/g. Moreover, this product is stable in water, whereas raw cotton can develop molds, after oil sorption. Besides, it is also biodegradable.