Molecular-dynamics study of the amorphization of CuTi
Conference
·
OSTI ID:5364185
- Air Force Inst. of Tech., Wright-Patterson AFB, OH (USA). Dept. of Engineering Physics
Radiation-induced amorphization of the crystalline compound CuTi was investigated by molecular-dynamics simulations using new interatomic potentials derived from the embedded-atom method. Two different approaches to amorphization were tried: one in which Cu and Ti atoms were randomly exchanged, and another in which Frenkel pairs were introduced at random. The potential energy, volume expansion and pair-correlation function were calculated as functions of chemical disorder and atomic displacements. The results indicate that, although both chemical disordering and point-defect introduction increase the system energy and volume, the presence of Frenkel pairs is essential to trigger the crystalline-to-amorphous transition. 20 refs., 3 figs.
- Research Organization:
- Argonne National Lab., IL (USA)
- Sponsoring Organization:
- DOE/ER
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 5364185
- Report Number(s):
- CONF-891119-26; ON: DE90003563
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
36 MATERIALS SCIENCE
360102 -- Metals & Alloys-- Structure & Phase Studies
360106* -- Metals & Alloys-- Radiation Effects
ALLOYS
AMORPHOUS STATE
COPPER COMPOUNDS
CRYSTAL DEFECTS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
FRENKEL DEFECTS
INTERMETALLIC COMPOUNDS
PHYSICAL RADIATION EFFECTS
POINT DEFECTS
RADIATION EFFECTS
TITANIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
VACANCIES
360102 -- Metals & Alloys-- Structure & Phase Studies
360106* -- Metals & Alloys-- Radiation Effects
ALLOYS
AMORPHOUS STATE
COPPER COMPOUNDS
CRYSTAL DEFECTS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
FRENKEL DEFECTS
INTERMETALLIC COMPOUNDS
PHYSICAL RADIATION EFFECTS
POINT DEFECTS
RADIATION EFFECTS
TITANIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
VACANCIES