Calculations of the structure and properties of rapidly quenched NI/ZR alloys.

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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 ... continued below

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[7] p.

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Cherne, F. J. (Frank J.); Baskes, M. I. (Michael I.); Schwarz, R. B. (Ricardo B.) & Srivilliputhur, S. G. (Srinivasan G.) January 1, 2003.

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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 .

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[7] p.

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  • Submitted to: Materials Research Society's 2002 Fall Meeting, December 2-6, Boston, MA

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  • Report No.: LA-UR-03-0368
  • Grant Number: none
  • Office of Scientific & Technical Information Report Number: 976517
  • Archival Resource Key: ark:/67531/metadc933834

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  • January 1, 2003

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  • Nov. 13, 2016, 7:26 p.m.

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  • Dec. 9, 2016, 10:55 p.m.

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Cherne, F. J. (Frank J.); Baskes, M. I. (Michael I.); Schwarz, R. B. (Ricardo B.) & Srivilliputhur, S. G. (Srinivasan G.). Calculations of the structure and properties of rapidly quenched NI/ZR alloys., article, January 1, 2003; United States. (digital.library.unt.edu/ark:/67531/metadc933834/: accessed November 23, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.