Abstract
Bulk computational thermodynamics are extended to model binary poly/nanocrystalline alloys by incorporating grain boundary energies computed by a multilayer adsorption model. A new kind of stability diagram for equilibrium-grain-size poly/nanocrystalline alloys is developed. Computed results for Zr-doped Fe are validated by prior experiments and provide new physical insights regarding stabilization of nanoalloys and its relation to solid-state amorphization. This work supports a major scientific goal of extending bulk computational thermodynamics methods to interfaces and nanomaterials and developing relevant thermodynamic stability diagrams as extensions to bulk phase diagrams, which can be useful new tools for the “Materials Genome” initiative.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
