|About this Abstract
||2010 TMS Annual Meeting & Exhibition
||Solid-State Interfaces: Toward an Atomistic-Scale Understanding of Structure, Properties, and Behavior through Theory and Experiment
||Thermodynamics of Solid-Fluid Interfaces with Non-Hydrostatically Stressed Solids
||T. Frolov, Y. Mishin
|On-Site Speaker (Planned)
While thermodynamics of solid-fluid interfaces is well understood for hydrostatic systems, the case of non-hydrostatically stressed solids remains less studied. We present thermodynamic relations for the free energy, interfaces stress, segregation and other excess properties of interfaces between fluids and non-hydrostatically stressed solid phases in multi-component systems. These relations lead to various thermodynamic integration schemes and are presented in forms convenient for atomistic simulations. These relations are illustrated by several examples of calculation of interface thermodynamic properties in solid-liquid coexistence systems using Monte Carlo and molecular dynamics methods with embedded-atom potentials.
||Definite: A CD-only volume