scholarly journals A non-decomposable approximation on the complete density function space for the non-additive kinetic potential

Author(s):  
Elias Polak ◽  
Cristina Elizabeth González-Espinoza ◽  
Martin J Gander ◽  
Tomasz A. Wesolowski
Author(s):  
David Cockayne ◽  
David McKenzie

The technique of Electron Reduced Density Function (RDF) analysis has ben developed into a rapid analytical tool for the analysis of small volumes of amorphous or polycrystalline materials. The energy filtered electron diffraction pattern is collected to high scattering angles (currendy to s = 2 sinθ/λ = 6.5 Å-1) by scanning the selected area electron diffraction pattern across the entrance aperture to a GATAN parallel energy loss spectrometer. The diffraction pattern is then converted to a reduced density function, G(r), using mathematical procedures equivalent to those used in X-ray and neutron diffraction studies.Nearest neighbour distances accurate to 0.01 Å are obtained routinely, and bond distortions of molecules can be determined from the ratio of first to second nearest neighbour distances. The accuracy of coordination number determinations from polycrystalline monatomic materials (eg Pt) is high (5%). In amorphous systems (eg carbon, silicon) it is reasonable (10%), but in multi-element systems there are a number of problems to be overcome; to reduce the diffraction pattern to G(r), the approximation must be made that for all elements i,j in the system, fj(s) = Kji fi,(s) where Kji is independent of s.


Author(s):  
Neng-Yu Zhang ◽  
Bruce F. McEwen ◽  
Joachim Frank

Reconstructions of asymmetric objects computed by electron tomography are distorted due to the absence of information, usually in an angular range from 60 to 90°, which produces a “missing wedge” in Fourier space. These distortions often interfere with the interpretation of results and thus limit biological ultrastructural information which can be obtained. We have attempted to use the Method of Projections Onto Convex Sets (POCS) for restoring the missing information. In POCS, use is made of the fact that known constraints such as positivity, spatial boundedness or an upper energy bound define convex sets in function space. Enforcement of such constraints takes place by iterating a sequence of function-space projections, starting from the original reconstruction, onto the convex sets, until a function in the intersection of all sets is found. First applications of this technique in the field of electron microscopy have been promising.To test POCS on experimental data, we have artificially reduced the range of an existing projection set of a selectively stained Golgi apparatus from ±60° to ±50°, and computed the reconstruction from the reduced set (51 projections). The specimen was prepared from a bull frog spinal ganglion as described by Lindsey and Ellisman and imaged in the high-voltage electron microscope.


2015 ◽  
Vol 47 (8) ◽  
pp. 24-40 ◽  
Author(s):  
Telman Abbas ogly Aliev ◽  
Naila F. Musaeva ◽  
Matanat Tair kyzy Suleymanova ◽  
Bahruz Ismail ogly Gazizade

2016 ◽  
Vol 48 (4) ◽  
pp. 39-55 ◽  
Author(s):  
Telman Abbas ogly Aliev ◽  
Naila Fuad kyzy Musaeva ◽  
Matanat Tair kyzy Suleymanova ◽  
Bahruz Ismail ogly Gazizade

2007 ◽  
Vol 7 (3) ◽  
pp. 239-254 ◽  
Author(s):  
I.H. Sloan

Abstract Finite-order weights have been introduced in recent years to describe the often occurring situation that multivariate integrands can be approximated by a sum of functions each depending only on a small subset of the variables. The aim of this paper is to demonstrate the danger of relying on this structure when designing lattice integration rules, if the true integrand has components lying outside the assumed finiteorder function space. It does this by proving, for weights of order two, the existence of 3-dimensional lattice integration rules for which the worst case error is of order O(N¯½), where N is the number of points, yet for which there exists a smooth 3- dimensional integrand for which the integration rule does not converge.


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