Calculations of the structure and properties of rapidly quenched NI/ZR alloys.
- Frank J.
- Michael I.
- Ricardo B.
- Srinivasan G.
Using molecular dynamics and a modified embedded atom potential developed by our group we studied the diffusivity and viscosity of molten Nil-XZrX alloys as a function of composition, temperature, and cooling rate. Previous results indicate that these potentials represent the Ni-Zr system quite well . Liquid alloys were quenched at rates of 5 x 10{sup 11} and 10{sup 12} K/s. For x < 0.04 the solidified alloys were crystalline . For higher x values, the solidified alloys were amorphous . For the amorphous alloys, the composition dependence of the calculated glass transition temperature Tg follows the general trend of experimental Tg values . The calculated viscosity and diffusivity show systematic variation with composition . For the undercooled Ni-6 at .% Zr melt the calculated viscosity shows the Vogel-Fulcher-Tamman (VFT) behavior characteristic of a 'fragile' glass .
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 976517
- Report Number(s):
- LA-UR-03-0368; TRN: US201017%%665
- Resource Relation:
- Journal Volume: 754; Conference: Submitted to: Materials Research Society's 2002 Fall Meeting, December 2-6, Boston, MA
- Country of Publication:
- United States
- Language:
- English
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