Grain Boundary - Boundary Energy

Boundary Energy

The energy of a low-angle boundary is dependent on the degree of misorientation between the neighbouring grains up to the transition to high-angle status. In the case of simple tilt boundaries the energy of a boundary made up of dislocations with Burgers vector b and spacing h is predicted by the Read-Shockley equation:

where θ = b/h, γ₀ = Gb/4 π(1 − ν), A = 1 + ln(b/2 πr₀), G is the shear modulus, ν is poisson's ratio, and r₀ is the radius of the dislocation core. It can be seen that as the energy of the boundary increases the energy per dislocation decreases. Thus there is a driving force to produce fewer, more misoriented boundaries (i.e., grain growth).

The situation in high-angle boundaries is more complex. Although theory predicts that the energy will be a minimum for ideal CSL configurations, with deviations requiring dislocations and other energetic features, empirical measurements suggest the relationship is more complicated. Some predicted troughs in energy are found as expected while others missing or substantially reduced. Surveys of the available experimental data have indicated that simple relationships such as low Σ are misleading:

It is concluded that no general and useful criterion for low energy can be enshrined in a simple geometric framework. Any understanding of the variations of interfacial energy must take account of the atomic structure and the details of the bonding at the interface.