Phase changes in nickel clusters from an embedded-atom potential

Conference · Tue Jan 01 00:00:00 EST 1991

OSTI ID:6153485

Guevenc, Z B; Jellinek, J ^[1]; Voter, A F ^[2]

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1. Argonne National Lab., IL (United States)
2. Los Alamos National Lab., NM (United States)

The meltinglike behavior of Ni{sub n}, n=12,13,14,19 clusters is studied using molecular dynamics simulations. The cohesion in clusters is modelled by an embedded-atom potential incorporating many-body effects. The features of the phase change transition derived are compared to those obtained earlier from pairwise interactions and a different many-body (Gupta-like) potential. 7 refs., 3 figs.

• Research Organization: Argonne National Lab., IL (United States)
• Sponsoring Organization: USDOE; USDOE, Washington, DC (United States)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 6153485
• Report Number(s): ANL/CP-73333; CONF-911033-2; ON: DE92003377
• Resource Relation: Conference: International symposium on the physics and chemistry of finite systems: from clusters to crystals, Richmond, VA (United States), 8-12 Oct 1991
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
NICKEL
SOLID CLUSTERS
PHASE TRANSFORMATIONS
COMPUTERIZED SIMULATION
HAMILTON-JACOBI EQUATIONS
MORSE POTENTIAL
DIFFERENTIAL EQUATIONS
ELEMENTS
EQUATIONS
METALS
PARTIAL DIFFERENTIAL EQUATIONS
POTENTIALS
SIMULATION
TRANSITION ELEMENTS
400201* - Chemical & Physicochemical Properties