Published online by Cambridge University Press: 26 February 2011
The equilibrium structure of a 2-dimensional ⅀5 symmetric coincidence site grain boundary has been analyzed theoretically as a function of temperature and composition using a lattice-gas model. Over a wide range of concentration, ranging from a pure single component to dilute impurities to concentrated solutions that undergo ordering, the boundary “melts” before bulk melting occurs. The entire temperature range can be described by two limiting descriptions and a smooth crossover between them: a low temperature one that with increasing temperature deviates from the ground state by increasing desorption with little structural change, and a high temperature behavior that culminates in an ever thickening layer that becomes liquid as the bulk melting point is approached. A slight change in the assumed interaction alters the location of the impurity atoms. The low temperature desorption behavior in general is a sum of Boltzmann factors; adsorption tends to decrease but, because these factors can have opposite signs, not always as a monotonic function of temperature. In the high temperature region, adsorption follows solid-liquid segregation behavior and increases with rising temperature as the grain boundary thickens.