scholarly journals Application of distribution functions in accurate determination of interdiffusion coefficients

2018 ◽  
Vol 8 (1) ◽  
Author(s):  
Ming Wei ◽  
Lijun Zhang
Entropy ◽  
2020 ◽  
Vol 22 (5) ◽  
pp. 541
Author(s):  
Georgios Nicolaou ◽  
George Livadiotis

The velocities of space plasma particles often follow kappa distribution functions, which have characteristic high energy tails. The tails of these distributions are associated with low particle flux and, therefore, it is challenging to precisely resolve them in plasma measurements. On the other hand, the accurate determination of kappa distribution functions within a broad range of energies is crucial for the understanding of physical mechanisms. Standard analyses of the plasma observations determine the plasma bulk parameters from the statistical moments of the underlined distribution. It is important, however, to also quantify the uncertainties of the derived plasma bulk parameters, which determine the confidence level of scientific conclusions. We investigate the determination of the plasma bulk parameters from observations by an ideal electrostatic analyzer. We derive simple formulas to estimate the statistical uncertainties of the calculated bulk parameters. We then use the forward modelling method to simulate plasma observations by a typical top-hat electrostatic analyzer. We analyze the simulated observations in order to derive the plasma bulk parameters and their uncertainties. Our simulations validate our simplified formulas. We further examine the statistical errors of the plasma bulk parameters for several shapes of the plasma velocity distribution function.


2013 ◽  
Vol 46 (6) ◽  
pp. 1582-1591 ◽  
Author(s):  
Martin Mayo ◽  
Eyal Yahel ◽  
Yaron Greenberg ◽  
El'ad N. Caspi ◽  
Brigitte Beuneu ◽  
...  

Accurate determination of a liquid structure, especially at high temperatures, remains challenging, as reflected in the scatter between different measurements. The experimental challenge is compounded by the process of the numerical transformation from the structure factor to the radial distribution function. The resulting uncertainty is often greater than that required to resolve issues associated with changes in the short-range order of the liquid, such as the existence of liquid–liquid phase transitions or correlations between thermophysical properties and structure. In the present contribution it is demonstrated for liquid bismuth as a model system that the structure factor can be obtained to high accuracy, by comparing several independent measurements in different setups. A simple method is proposed for improving the accuracy of the radial distribution functions, based on the extension of the finite range of momentum transfer,q, in the measured data by analytical asymptotic expressions. A unified mathematical formalism for the asymptotic dependence of the structure factor is developed and the asymptotic form of the Percus–Yevick hard-sphere solution is obtained as a special limiting case. The multiple expressions in the literature are shown to reflect uncertainty in the nature of the repulsive interatomic interaction at short separation distances. Applying this asymptotic method, it is shown that it enables access to details of the fine structure of the liquid and its temperature dependence.


1995 ◽  
Vol 39 ◽  
pp. 457-464 ◽  
Author(s):  
Davor Balzar ◽  
Hassel Ledbetter

Program “Breadth” was written for analyzing diffraction-line broadening. The physically broadened line profiles are required as input. The results are calculated according to three ”simplified” integral-breadth methods: Cauchy-Cauchy, Cauchy-Gauss, and Gauss-Gauss. The program output includes volume-weighted coherent domain size and a maximum strain. Furthermore, the root-mean-square strain and both surface-weighted and volume-weighted domain sizes are calculated according to the “double-Voigt” method. This method also allows the accurate determination of both surface-weighted and volume-weighted domain-size distribution functions for specimens showing a dominant size-broadening effect, which gives more detailed information than the mere average value of coherent-domain size. Some examples for ball-milled W (shows simultaneous size-strain broadening) and NiFe2O4 (shows pronounced pure-size broadening) are included.


Author(s):  
R.D. Leapman ◽  
P. Rez ◽  
D.F. Mayers

Microanalysis by EELS has been developing rapidly and though the general form of the spectrum is now understood there is a need to put the technique on a more quantitative basis (1,2). Certain aspects important for microanalysis include: (i) accurate determination of the partial cross sections, σx(α,ΔE) for core excitation when scattering lies inside collection angle a and energy range ΔE above the edge, (ii) behavior of the background intensity due to excitation of less strongly bound electrons, necessary for extrapolation beneath the signal of interest, (iii) departures from the simple hydrogenic K-edge seen in L and M losses, effecting σx and complicating microanalysis. Such problems might be approached empirically but here we describe how computation can elucidate the spectrum shape.The inelastic cross section differential with respect to energy transfer E and momentum transfer q for electrons of energy E0 and velocity v can be written as


Author(s):  
M.A. Gribelyuk ◽  
M. Rühle

A new method is suggested for the accurate determination of the incident beam direction K, crystal thickness t and the coordinates of the basic reciprocal lattice vectors V1 and V2 (Fig. 1) of the ZOLZ plans in pixels of the digitized 2-D CBED pattern. For a given structure model and some estimated values Vest and Kest of some point O in the CBED pattern a set of line scans AkBk is chosen so that all the scans are located within CBED disks.The points on line scans AkBk are conjugate to those on A0B0 since they are shifted by the reciprocal vector gk with respect to each other. As many conjugate scans are considered as CBED disks fall into the energy filtered region of the experimental pattern. Electron intensities of the transmitted beam I0 and diffracted beams Igk for all points on conjugate scans are found as a function of crystal thickness t on the basis of the full dynamical calculation.


Author(s):  
F.A. Ponce ◽  
H. Hikashi

The determination of the atomic positions from HRTEM micrographs is only possible if the optical parameters are known to a certain accuracy, and reliable through-focus series are available to match the experimental images with calculated images of possible atomic models. The main limitation in interpreting images at the atomic level is the knowledge of the optical parameters such as beam alignment, astigmatism correction and defocus value. Under ordinary conditions, the uncertainty in these values is sufficiently large to prevent the accurate determination of the atomic positions. Therefore, in order to achieve the resolution power of the microscope (under 0.2nm) it is necessary to take extraordinary measures. The use of on line computers has been proposed [e.g.: 2-5] and used with certain amount of success.We have built a system that can perform operations in the range of one frame stored and analyzed per second. A schematic diagram of the system is shown in figure 1. A JEOL 4000EX microscope equipped with an external computer interface is directly linked to a SUN-3 computer. All electrical parameters in the microscope can be changed via this interface by the use of a set of commands. The image is received from a video camera. A commercial image processor improves the signal-to-noise ratio by recursively averaging with a time constant, usually set at 0.25 sec. The computer software is based on a multi-window system and is entirely mouse-driven. All operations can be performed by clicking the mouse on the appropiate windows and buttons. This capability leads to extreme friendliness, ease of operation, and high operator speeds. Image analysis can be done in various ways. Here, we have measured the image contrast and used it to optimize certain parameters. The system is designed to have instant access to: (a) x- and y- alignment coils, (b) x- and y- astigmatism correction coils, and (c) objective lens current. The algorithm is shown in figure 2. Figure 3 shows an example taken from a thin CdTe crystal. The image contrast is displayed for changing objective lens current (defocus value). The display is calibrated in angstroms. Images are stored on the disk and are accessible by clicking the data points in the graph. Some of the frame-store images are displayed in Fig. 4.


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