Molecular Dynamics Study on Liquid-to-Amorphous Transition in Ti–Al Alloys

DOI Web Site Web Site 7 Citations 13 References

Bibliographic Information

Other Title
  • Molecular Dynamics Study on Liquid-to-A
  • Molecular Dynamics Study on Liquid-to-Amorphous Transition in Ti–Al Alloys

Search this article

Abstract

Liquid-to-amorphous transition and amorphous-to-crystal transition processes of Ti–Al alloys were investigated by using constant-pressure, constant-temperature molecular dynamics techniques. Many-body interactions semi-empirically determined by the Embedded Atom Method were used. Thermodynamic properties obtained in the simulations were in good agreement with experimental measurements. Especially, the present simulation could reproduce the experimentally observed concentration range (40–85 at%Al) for amorphization. Structure analyses and the energetical consideration about the clusters found in the system revealed that the basic structure of amorphous states in the Ti–Al system is a network of icosahedral clusters stabilized by many-body effect.

Journal

Citations (7)*help

See more

References(13)*help

See more

Keywords

Details 詳細情報について

Report a problem

Back to top