Formation of prismatic loops from C15 Laves phase interstitial clusters in body-centered cubic iron
- Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuels Modeling and Simulation
This Letter reports the transition of C15 phase self-interstitial clusters to loops in body-centered-cubic Iron. Molecular dynamics simulations are performed to evaluate the relative stabilities of difference interstitial cluster configurations including C15 phase structure and <100> and <111>/2 loops. Within a certain size range, C15 cluster are found more stable than loops, and the relative stabilities are reversed beyond that range. In accordance to the crossover in relative stabilities, C15 clusters may grow by absorbing individual interstitials at small sizes and transitions into loops eventually. The transition takes place by nucleation and reaction of <111>/2 loop segments. These observations explain the absence of C15 phase interstitial clusters predicted by density-functional-theory calculations in previous experimental observations. More importantly, the current results provide a new formation mechanism of <100> loops which requires no interaction of loops.
- Research Organization:
- Idaho National Lab. (INL), Idaho Falls, ID (United States)
- Sponsoring Organization:
- USDOE Office of Nuclear Energy (NE)
- DOE Contract Number:
- DE-AC07-05ID14517
- OSTI ID:
- 1177652
- Report Number(s):
- INL/JOU-14-31321; TRN: US1500185
- Journal Information:
- Scripta Materialia, Vol. 98, Issue C; ISSN 1359-6462
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
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