Abstract
We construct a new embedded-atom potential for Ni-Al system. The lattice constants, cohesive energies, elastic constants, vacancy formation energies, stacking fault energies and equations of state of Ni and Al are included in the fitting process of potentials for pure Ni and pure Al. The cross-interaction potential is fitted to the lattice constants, cohesive energies, elastic constants of Ni3Al and NiAl and the energies of (100) APB and (111) SISF of Ni3Al. The potential accurately reproduces the various physical properties of Ni, Al, Ni3Al and NiAl phases. The results of the new embedded-atom potential and other embedded-atom potentials are compared and discussed in detail.
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 callMore From: IOP Conference Series: Materials Science and Engineering
Disclaimer: 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.
