Dislocation-loop formation is a first-order phase transition

Abstract

Dislocation loops are the elementary product of radiation damage in crystals, limiting reactor-component lifetimes, power-electronics reliability and the coherence of solid-state qubits. Their nucleation has been simulated for six decades but never reduced to a thermodynamic law. We show that dislocation-loop formation is a \emph{first-order phase transition}, and construct its Ginzburg--Landau free energy, with the loop area as order parameter, entirely from atomistic simulation. In diamond, carbon self-interstitials condense into planar precursors that collapse abruptly into a prismatic $\tfrac{1}{2}\langle110\rangle$ loop across a 3.7-electronvolt barrier, with pressure--volume work supplying only 2\% of the energy released. The reduced free energy proves material-independent: the vacancy platelet-to-loop collapse in body-centred-cubic iron falls on the same one-parameter family, placing loop nucleation on a transferable thermodynamic footing.