Coherent twin boundaries and interatomic potentials in b.c.c. metals

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Abstract
The structure of the coherent {112} twin boundary has been computed using interplanar interactions for lithium. Two stable configurations with almost the same energy were found. It is shown that the existence of these two configurations is a consequence of the relatively simple form of the interactions between atomic rows parallel to . This behaviour of atomic forces is common to b.c.c. simple metals. It is further considered whether modifications of these results may be expected when phenomenological potentials, usually used to describe transition metals, are employed.