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Results Associated with Distributed Surface Roughness The following is a supplement to the article "Predicting Microstructure from Atomistic Rule Set Cellular Automata" by K.J.W. Atkinson et al., which is as part of JOM-e, 51 (8) (1999). | |||||||||||||||||||||
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Results Associated with Distributed Surface Roughness The following is a supplement to the article "Predicting Microstructure from Atomistic Rule Set Cellular Automata" by K.J.W. Atkinson et al., which is as part of JOM-e, 51 (8) (1999). | |||||||||||||||||||||
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For this work, the starting surface consists of 100 x 100 atoms and is initially free of argon flux. Approximately 10% of the surface is occupied by fixed calcium atoms, which are distributed randomly at both B and C sites. Movies E-H illustrate the evolution of the surface when exposed to 8% argon flux at different temperatures (each movie frame represents 200 time steps). Figures E-H depict surface evolution at various time steps and temperatures.
For simulations carried out at 90 K, 100 K, and 120 K, the surface undergoes some limited evolution over the first few thousand time steps, but then becomes locked (or pinned) into a stable mixed-site microstructure. At 140 K, the surface is dynamic, and no microstructural evolution is observed. As with the perfect surface, the change from stable evolution to a highly dynamic configuration occurs at a critical temperature. Similarly, the coverage above the critical temperature is reduced.
| Color Key | Initial Surface | |
|---|---|---|
 Argon Gas Atom on B Site |
 Argon Gas Atom on C Site |
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 Fixed Calcium Atom on B Site |
 Fixed Calcium Atom on C Site
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 Movie E (~2.8 Mb) T = 90 K |
 Figure Ea t = 100; T = 90 K |
 Figure Eb t = 1,000; T = 90 K |
 Figure Ec t = 10,000; T = 90 K |
 Figure Ed t = 100,000; T = 90 K |
 Movie F (~3 Mb) T = 100 K |
 Figure Fa t = 100; T = 100 K |
 Figure Fb t = 1,000; T = 100 K |
 Figure Fc t = 10,000; T = 100 K |
 Figure Fd t = 100,000; T = 100 K |
 Movie G (~4 Mb) T = 120 K |
 Figure Ga t = 100; T = 120 K |
 Figure Gb t = 1,000; T = 120 K |
 Figure Gc t = 10,000; T = 120 K |
 Figure Gd t = 100,000; T = 120 K |
 Movie H (~4.1 Mb) T = 140 K |
 Figure Ha t = 100; T = 140 K |
 Figure Hb t = 1,000; T = 140 K |
 Figure Hc t = 10,000; T = 140 K |
 Figure Hd t = 100,000; T = 140 K |
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