Chemical short-range order in dense random packed models. [Ni/sub 35/Ti/sub 65/; Ni/sub 35/Zr/sub 65/]

Conference · Thu Jan 01 00:00:00 EST 1987

OSTI ID:5896375

Saw, C K; Schwarz, R B

A dense random packed model of an amorphous alloy was used to calculate the total and partial reduced radial distribution functions, the Bhathia-Thorton number-concentration fluctuations, and the number-concentration interference functions. The model was applied to amorphous Ni/sub 35/Ti/sub 65/ using atomic radii of 1.10 and 1.58 A/sup -1/ for nickel and zirconium, respectively. Chemical short-range order was included in the model by permuting nickel-zirconium nearest-neighbors atoms pairs in response to a decrease in the alloy's enthalpy. The permutations were found to decrease in the Warren-Cowley order parameter from zero to -0.38. The increase in chemical short range order is accompanied by the appearance of a peak in the partial interference function I/sub Ni-Ni/(K) at K = 1.9 A/sup -1/. The increase in chemical short range order and the prepeak in I/sub Ni-Ni/(K) are tentatively attributed to the formation of double tetrahedra with three zirconium atoms at the base and two nickel atoms at the apexes. 18 refs., 5 figs.

• Research Organization: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Hoechst Celanese Corp., Summit, NJ (USA)
• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 5896375
• Report Number(s): LA-UR-87-3617; CONF-8708104-4; ON: DE88001800
• Resource Relation: Conference: Conference on solid state amorphizing transformation, Los Alamos, NM, USA, 10 Aug 1987; Other Information: Portions of this document are illegible in microfiche products
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
NICKEL
ATOMIC RADII
NICKEL ALLOYS
ELECTRONIC STRUCTURE
ORDER PARAMETERS
TITANIUM ALLOYS
ZIRCONIUM
ZIRCONIUM ALLOYS
AMORPHOUS STATE
ATOMIC MODELS
BINARY ALLOY SYSTEMS
DISTRIBUTION FUNCTIONS
ENTHALPY
EQUATIONS
FOURIER TRANSFORMATION
INTEGRALS
STRUCTURE FACTORS
ALLOY SYSTEMS
ALLOYS
ELEMENTS
FUNCTIONS
INTEGRAL TRANSFORMATIONS
MATHEMATICAL MODELS
METALS
PHYSICAL PROPERTIES
THERMODYNAMIC PROPERTIES
TRANSFORMATIONS
TRANSITION ELEMENTS
360102* - Metals & Alloys- Structure & Phase Studies