PPT Slide
- Surfaces of Fe3C -
(100)
(001)
(001) relaxed
(100) relaxed
Relaxations into the surfaces:
Face Surface energy Relaxation rms
(J/m2) energy (%) relaxation (Å)
Static Relaxed
(100) 2.72 2.47 10 % 0.012
(011) 2.58 2.55 1 % 0.007
(001) 2.40 2.05 15 % 0.016
(110) 2.37 2.34 1 % 0.013
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