Abstract
Worked computer program of design cluster structure of fusions to simple metals with a crystalline grate face - centered cube (FCC) and volume cube centred (VCC) of for comparison with experimental data of x-ray diffraction analysis.
Highlights
RENGENODYFRACTION STUDIES DIAGNOSISWorked computer program of design cluster structure of fusions to simple metals with a crystalline grate face - centered cube (FCC) and volume cube centred (VCC) of for comparison with experimental data of x-ray diffraction analysis
Raising of problem High speed the crystallization of metals is one of certificates of presence of well-organized, cluster structure of fusions to simple metals, that predetermines the necessity of interpretation data of neutronandx-ray researches on the basis of cluster model of structure of simple liquids
The choice of form to the cluster was determined in accordance with principles of Kuri-Wulfa about a minimum of superficial energy to the crystal, which is in an equilibrium with the liquid and to corresponds principle Gallant according to which a crystal is limited to the atomic planes with the maximal closeness of atoms
Summary
Worked computer program of design cluster structure of fusions to simple metals with a crystalline grate face - centered cube (FCC) and volume cube centred (VCC) of for comparison with experimental data of x-ray diffraction analysis. Formulation of research purpose The purpose of work is development of the computer program to design the cluster structure of fusions to simple metals with a crystalline grate face-centered cube (FCC) and cube (CCV) centred by volume of for comparison with experimental data of neutronandx-ray analysis, determination form and basic structural parameters of clusters — mean value of coordinating number, middle atom distance, optimal clustersize. In this case the first from the adopted clusters answers most attitude of volume toward the area of surface, id est is most credible During interpretation of this radial function to distribution of atoms (RFDA) within the framework of cluster model it is necessary to define the methods of calculation of coordinating numbers on a cluster for their middle on a standard and approximations with experimental RFDA. Choosing the that or other form of area of efficiency determine such values her middle sizes, that deviation of theoretical type of diffraction peak from experimental was minimum
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