Stacking - fault energies in simple metals : applications to BCC metals
نویسنده
چکیده
We present a general method for calculating the stacking-fault energy in simple metals, and then we apply this to the ( 1 1 2 ) faults in body-centred cubic (BCC) metals. Our method contains no approximations for a given wavenumber characteristic (or equivalently the pair potential). Our results show that metastable faults do indeed exist in the simple BCC metals (Li, Na. K, Rb, Cs, Ca. Sr, Ba), but the currently available potentials do not yield sufficiently accurate stacking-fault energies because they do not predict BCC as the lowest energy phase.
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