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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Faulting in finite face-centered-cubic crystallites
Kenneth R Beyerlein1, Robert L Snyder, Paolo Scardi
1Materials Science and Engineering, Georgia Institute of Technology, Atlanta, GA 30332, USA. ken.beyerlein@mse.gatech.edu
Summary
Planar faults in small face-centered cubic (f.c.c.) crystallites affect powder diffraction peak profiles. A new method models fault position effects on correlation functions, impacting peak broadening in materials science.
Area of Science:
- Materials Science
- Crystallography
- Solid-State Physics
Background:
- Planar faults significantly influence the diffraction patterns of crystalline materials.
- Understanding these effects is crucial for characterizing materials with small crystallites.
Purpose of the Study:
- To investigate the impact of planar faults on powder diffraction peak profiles in face-centered cubic (f.c.c.) materials.
- To develop a novel method for calculating the planar probability correlation function in faulted crystallites.
Main Methods:
- Presentation of a new method to compute the planar probability correlation function, accounting for finite planar sequences.
- Analysis of how fault position relative to crystallite boundaries affects the correlation function.
- Comparison of average correlation functions derived from equal fault probability and recursion relation methods.
Main Results:
- The correlation function is shown to be dependent on the fault's position within the crystallite.
- Broadened subcomponents of f.c.c. powder profiles are directly linked to the correlation function via a Fourier series.
- Simulations using the developed model align with predictions from recursion relation treatments.
Conclusions:
- The developed model accurately describes the influence of planar faults on powder diffraction peak profiles.
- The new method provides a detailed understanding of fault-boundary interactions in small crystallites.
- This work offers a valuable tool for the analysis of faulted crystalline materials.
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