Search results for "Sphere packing"
showing 8 items of 8 documents
Über polygermane
1980
Abstract The crystal structure of octaphenylcyclotetragermane, (Ph 2 Ge) 4 , has been determined and refined to an R value of 0.046. The symmetry of the molecule approximater D 2d . the Ge 4 ring is nearly planar and square (angle of pucker 3.9°, GeGe 246.5(5) pm). The 8 phenyl groups (GeC 196.2(10) pm) are arranged in two distinct sets (“parallel” touching and perpendicular to the Ge 4 ring) which exchange their positions in solution. The packing of the (Ph 2 Ge) 4 molecules in the crystal resembles a cubic body centred sphere packing. The homocyclic series (Ph 2 Ge) n with n 4, 5, 6 shows 13 C NMR signals in CDCl 3 solution monotonic dependent on the endocyclic GeGeGe angles.
The Poisson Ratio in CoFe2O4Spinel Thin Films
2012
The response of epitaxial CoFe2O4 thin films to biaxial compressive stress imposed by MgAl2O4 and SrTiO3 single crystalline substrates is studied using X-ray diffraction and Raman spectroscopy. It is found that the Poisson ratio ν signals a non-auxetic behavior and depends on the substrate used. The Raman modes show an increase in frequency when increasing compressive strain by reducing film thickness; this is due to the shrinking of the unit cell volume. Such behavior is in qualitative agreement with recent ab initio calculations, although the measured values are significantly smaller than predictions. In contrast, the measured Poisson ratio is found to be in good agreement with expectatio…
Noise-Assisted Crystallization of Opal Films
2012
International audience; An improvement of the crystal quality of opal fi lms self-assembled from polymer spheres in a moving meniscus using the agitation by white noise acoustic vibrations is demonstrated. A tenfold higher ordering of a hexagonal sphere packing in the (111) plane is achieved. This crystallization method, the mechanism of which is described in terms of the stochastic resonance, is a contrast to the widely used approach based on maintaining equilibrium conditions during the crystallization process. The precise quantifi cation of the incremental lattice order improvement as a function of acoustic noise intensity is achieved by calculating the probability of finding an opposite…
Molecular dynamics investigation of the premelting effects of Lennard-Jones (111) surfaces
1987
Molecular dynamics simulations have been performed to study the premelting effects of noble-gas surfaces (argon) close to but below the bulk melting temperature. In particular, the increase of disorder as a function of temperature at (111) surface has been considered. The truncated Lennard-Jones (6-12) potential is used to describe the interactions between particles. Surface premelting has been analyzed by means of total energies, trajectory plots, mean sequare displacement functions, diffusion coefficients, vacancy concentrations and two-dimensional order parameters. The (111) surface starts to disorder by vacancy formation, which leads to the premelting of the surface layer far below the …
Unveiled the Source of the Structural Instability of HKUST-1 Powders upon Mechanical Compaction: Definition of a Fully Preserving Tableting Method
2018
Metal–organic frameworks (MOFs) are getting closer to finally being used in commercial applications. In order to maximize their packing density, mechanical strength, stability in reactive environme...
An automated procedure for computing the packing properties of dense and locked sands by image analysis of thin sections
2014
The macroscopic mechanical behaviour of dense sands originates to a great extent from their microstructural characteristics such as the coordination number, the grain contact and the packing density indexes. The study of intergranular contacts and the reckoning of these indexes may be carried out on planar images of the grains either by means of time-consuming visual inspection assisted by CAD or by automatic image analysis. An innovative method for the automatic determination of microstructural characteristics of sands based on image analysis of thin section is proposed. Tests performed on a locked sand show that the proposed method is much more effective, convenient and faster than the us…
Evaluation of advanced silica packings for the separation of biopolymers by high-performance liquid chromatography
1984
Abstract In the separation of proteins and peptides by the various modes of high-performance liquid chromatography, the nature of the substrates requires the use of microparticulate silica packings with bonded ligands of appropriate design. Agglomeration of monodisperse silica hydrosols of defined size distribution into beaded particles provides a useful method of controlling the pore size, the size distribution, the particle porosity and surface area of these packings. The particle porosity is shown to be a major factor governing the packing density and packing stability of the column. For size-exclusion chromatography of proteins, parent silicas of pore size 10 and 100 nm with a narrow po…
Characterization of microscopic disorder in reconstructed porous materials and assessment of mass transport-relevant structural descriptors
2016
The targeted optimization of the functional properties of porous materials includes the understanding of their transport properties and thus requires knowledge about the relationship between material synthesis, resulting in three-dimensional material morphology, and relevant transport properties. In this Perspective, we present our views and results on the characterization of microscopic disorder in functional porous materials, which are widely used today as fixed beds in adsorption, separation, and catalysis. This allows us to identify structural parameters that impact their mass transport properties and eventually their overall performance in technological operations. We address this comp…