Materials science forum · 2011 · 24 citations · 2 references
Natural SciencesMaterials SciencePhysicsComputational Materials ScienceMaterials CharacterizationSolid State PhysicsCrystal ChemistryCrystal SystemsCrystalline MaterialsCrystallographyElasticity TheoryX-ray DiffractionCrystal ElasticityDiffraction AnalysisElastic ConstantsPowder Diffraction AnalysisProper FunctionSingle-crystal Diffraction
A Matlab based computer program was developed which gives the possibility to calculate the diffraction elastic constants (DEC) of macroscopically isotropic, single phase materials from their single crystal elastic constants. The proper function of the program was confirmed by means of results from literature. In almost all cases the results from the program DECcalc could reproduce the values and diagrams given in the appropriate publications. Discrepancies could always be assigned to the use of different single crystal coefficients.
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