|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Interface-driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry
||Equilibrium Fluctuations of Grain Boundary Properties in Alloy Systems
||J. Hickman, Yuri Mishin
|On-Site Speaker (Planned)
We develop a thermodynamic theory of equilibrium fluctuations of excess properties of grain boundaries in binary alloys. The theory establishes relationships between mean-square fluctuations and covariances of excess properties, such as excess energy, excess volume and solute segregation, and equilibrium properties such as the excess elastic modulus, excess heat capacity, local thermal expansion and many others. The theory is tested by atomistic computer simulations of symmetrical tilt grain boundaries in Cu-Ag solutions using molecular dynamics and Monte Carlo methods with interatomic potentials. As one of the interesting outcomes of the work, we evaluate fluctuations of the interface free energy of the grain boundaries, an important property which in most theories is treated as a static (non-fluctuating) parameter.
||Planned: A print-only volume