Structure-sensitive search-match procedure for powder diffraction

1982 ◽  
Vol 54 (4) ◽  
pp. 691-697 ◽  
Author(s):  
Ludo K. Frevel
1986 ◽  
Vol 1 (1) ◽  
pp. 22-25 ◽  
Author(s):  
D. H. Filsinger ◽  
L. K. Frevel

AbstractThe Semi-manual Structure-sensitive SEARCH-MATCH procedure [Frevel, (1982), Anal. Chem. 54, 691–697] has been automated for the Hewlett-Packard HP 3354 Computer. The software is coded in the interpretive HP LAB BASIC II language. A core file of 1026 selected powder diffraction standards has been compiled covering the common crystalline phases encountered in industry, the ubiquitous crystalline minerals, and prototypes of the more frequently found crystal structures. Solid solutions can be readily identified.


1990 ◽  
Vol 5 (4) ◽  
pp. 181-185 ◽  
Author(s):  
S.D. Kirik ◽  
S.A. Kovyazin ◽  
A.M. Fedotov

AbstractThe resemblance between powder patterns because of similarity of crystal structures is well known and widely used. This phenomenon facilitates the determination of unit cells and is frequently used to predict crystal structures of new substances. At present the matching of diffraction analogues is done mainly by hand. Some approaches have been considered in this paper for applying a computer to the problem. Four numerical criteria for resemblance of powder patterns are suggested. Powder patterns are matched with patterns in a database by making use of a computer program based on these criteria.The procedure results in a short list of powder patterns to be examined by the expert. The efficiency of the program is illustrated by examples of calculations for substances of both high and low symmetry. The search system may find an important application in X-ray powder diffraction analysis for the identification of solid solutions, of substances documented under unusual conditions, of structure analogues and for classification of patterns in a database.


1976 ◽  
Vol 20 ◽  
pp. 15-25 ◽  
Author(s):  
L. K. Frevel

An updated d, I-MATCH procedure [Frevel and Adams, Anal. Chem., 40, 1335-1340 (1968)] is described which permits analysts to compare diverse powder-patterns in a quantitative,objective manner. Criteria are established for rating the quality of a diffraction standard. The d, I-MATCH program has been combined with an efficient SEARCH program to facilitate the quantitative matching of multiphase powder patterns.


Author(s):  
Mehmet Sarikaya ◽  
Ilhan A. Aksay

Biomimetics involves investigation of structure, function, and methods of synthesis of biological composite materials. The goal is to apply this information to the design and synthesis of materials for engineering applications.Properties of engineering materials are structure sensitive through the whole spectrum of dimensions from nanometer to macro scale. The goal in designing and processing of technological materials, therefore, is to control microstructural evolution at each of these dimensions so as to achieve predictable physical and chemical properties. Control at each successive level of dimension, however, is a major challenge as is the retention of integrity between successive levels. Engineering materials are rarely fabricated to achieve more than a few of the desired properties and the synthesis techniques usually involve high temperature or low pressure conditions that are energy inefficient and environmentally damaging.In contrast to human-made materials, organisms synthesize composites whose intricate structures are more controlled at each scale and hierarchical order.


INEOS OPEN ◽  
2020 ◽  
Vol 3 ◽  
Author(s):  
A. V. Matseevich ◽  
◽  
A. A. Askadskii ◽  

One of the possible approaches to the analysis of a physical mechanism of time dependence for the resistance coefficients of materials is suggested. The material durability at the constant stress is described using the Zhurkov and Gul' equations and the durability at the alternating stress—using the Bailey criterion. The low strains lead to structuring of a material that is reflected in a reduction of the structure-sensitive coefficient in these equations. This affords 20% increase in the durability. The dependence of the resistance coefficient assumes an extremal character; the maximum is observed at the time to rupture lg tr ≈ 2 (s).


2007 ◽  
Vol 2007 (suppl_26) ◽  
pp. 611-616
Author(s):  
B. Gaweł ◽  
W. Łasocha
Keyword(s):  

2007 ◽  
Vol 2007 (suppl_26) ◽  
pp. 61-66 ◽  
Author(s):  
B. Peplinski ◽  
B. Adamczyk ◽  
G. Kley ◽  
K. Adam ◽  
F. Emmerling ◽  
...  

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