Single-particle method for stochastic simulation of coagulation processes

2005 ◽  
Vol 60 (4) ◽  
pp. 963-967 ◽  
Author(s):  
Alexander Vikhansky ◽  
Markus Kraft
Author(s):  
Tao Zhang ◽  
Wenxiong Huang

AbstractCrushing characteristics of single particles are the basis of granular material simulation with discrete element method (DEM). To improve the universality and precision of crushable DEM model, inhomogeneous stiffness and strength properties are introduced into the bonded particle method, with which the Weibull distribution and size effect of particle strength can be reproduced without deleting elementary balls. The issues of particle strength and carrying capacity under complex contact conditions are investigated in this work by symmetric loading tests, asymmetric loading tests, and ball–ball loading tests. Results of numerical experiments indicate that particle carrying capacity is significantly influenced by coordination numbers, the symmetry of contact points, as well as the relative size of its neighbors. Contact conditions also show impact on single-particle crushing categories and the origin position of inner particle cracks. The existing stress indexes and assumptions of particle crushing criterion are proved to be inappropriate for general loading cases. Both the inherent inhomogeneity and contact conditions of particles should be taken into consideration in the simulation of granular materials.


2018 ◽  
Vol 16 (11) ◽  
pp. 711-721 ◽  
Author(s):  
N. J. Chellman ◽  
J. R. McConnell ◽  
A. Heyvaert ◽  
B. Vannière ◽  
M. M. Arienzo ◽  
...  

Author(s):  
J. Frank ◽  
P.-Y. Sizaret ◽  
A. Verschoor ◽  
J. Lamy

The accuracy with which the attachment site of immunolabels bound to macromolecules may be localized in electron microscopic images can be considerably improved by using single particle averaging. The example studied in this work showed that the accuracy may be better than the resolution limit imposed by negative staining (∽2nm).The structure used for this demonstration was a halfmolecule of Limulus polyphemus (LP) hemocyanin, consisting of 24 subunits grouped into four hexamers. The top view of this structure was previously studied by image averaging and correspondence analysis. It was found to vary according to the flip or flop position of the molecule, and to the stain imbalance between diagonally opposed hexamers (“rocking effect”). These findings have recently been incorporated into a model of the full 8 × 6 molecule.LP hemocyanin contains eight different polypeptides, and antibodies specific for one, LP II, were used. Uranyl acetate was used as stain. A total of 58 molecule images (29 unlabelled, 29 labelled with antl-LPII Fab) showing the top view were digitized in the microdensitometer with a sampling distance of 50μ corresponding to 6.25nm.


Author(s):  
Adriana Verschoor ◽  
Ronald Milligan ◽  
Suman Srivastava ◽  
Joachim Frank

We have studied the eukaryotic ribosome from two vertebrate species (rabbit reticulocyte and chick embryo ribosomes) in several different electron microscopic preparations (Fig. 1a-d), and we have applied image processing methods to two of the types of images. Reticulocyte ribosomes were examined in both negative stain (0.5% uranyl acetate, in a double-carbon preparation) and frozen hydrated preparation as single-particle specimens. In addition, chick embryo ribosomes in tetrameric and crystalline assemblies in frozen hydrated preparation have been examined. 2D averaging, multivariate statistical analysis, and classification methods have been applied to the negatively stained single-particle micrographs and the frozen hydrated tetramer micrographs to obtain statistically well defined projection images of the ribosome (Fig. 2a,c). 3D reconstruction methods, the random conical reconstruction scheme and weighted back projection, were applied to the negative-stain data, and several closely related reconstructions were obtained. The principal 3D reconstruction (Fig. 2b), which has a resolution of 3.7 nm according to the differential phase residual criterion, can be compared to the images of individual ribosomes in a 2D tetramer average (Fig. 2c) at a similar resolution, and a good agreement of the general morphology and of many of the characteristic features is seen.Both data sets show the ribosome in roughly the same ’view’ or orientation, with respect to the adsorptive surface in the electron microscopic preparation, as judged by the agreement in both the projected form and the distribution of characteristic density features. The negative-stain reconstruction reveals details of the ribosome morphology; the 2D frozen-hydrated average provides projection information on the native mass-density distribution within the structure. The 40S subunit appears to have an elongate core of higher density, while the 60S subunit shows a more complex pattern of dense features, comprising a rather globular core, locally extending close to the particle surface.


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