Thermal motion analysis

Technical Report · Tue Jan 01 04:00:00 EST 1980

DOI:https://doi.org/10.2172/5565677· OSTI ID:5565677

Johnson, C. K.

This tutorial article was written for the 1980 Crystallographic Computing School and it is not a review article covering the world literature on thermal motion. The items selected for coverage reflect the author's viewpoint on what can be determined from thermal-motion studies using Bragg diffraction data. The emphasis is on rigid-body and segmented-body thermal-motion analysis, the effects of internal molecular vibration on vibration ellipsoids, and a practical model for anharmonic vibration analysis. A quasi-orthogonal model for higher-order atomic thermal motion is described which previously was unpublished. A least-squares program incorporating that model has been in use since 1971 and has a history of successful application to difficult problems such as ionic conductors, particularly by Reidinger (1979).

• Research Organization: Oak Ridge National Lab., TN (USA)
• DOE Contract Number: W-7405-ENG-26
• OSTI ID: 5565677
• Report Number(s): DOE/TIC-11068
• Country of Publication: United States
• Language: English

Related Subjects

656000* -- Condensed Matter Physics
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BRAGG REFLECTION
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DOCUMENT TYPES
ENERGY LEVELS
EXCITED STATES
MATHEMATICAL MODELS
REFLECTION
REVIEWS
TEMPERATURE DEPENDENCE
THERMAL ANALYSIS
VIBRATIONAL STATES