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Diffuse scattering and defect structure simulations: a cook book using the program DISCUS

In recent years it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse scattering in addition to the Bragg scattering holds the key to learning about defects in materials, the topic of many recent books. What has been mis...

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Detalles Bibliográficos
Autores principales: Neder, Reinhard B, Proffen, Thomas
Lenguaje:eng
Publicado: Oxford Univ. Press 2009
Materias:
Acceso en línea:https://dx.doi.org/10.1093/acprof:oso/9780199233694.001.0001
http://cds.cern.ch/record/1186251
Descripción
Sumario:In recent years it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse scattering in addition to the Bragg scattering holds the key to learning about defects in materials, the topic of many recent books. What has been missing is a detailed step-by-step guide how to simulate disordered materials. The DISCUS cook book fills this need covering simple topics such as building a computer crystal to complextopic such as domain structures, stacking faults or using advanced refinement techniques to adjust parameters on a dis