Published February 20, 1995
| Version v1
Journal article
Anomalous phonon behavior and phase fluctuations in bcc Zr
Creators
- 1. Ames Laboratory and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)
Description
The high-temperature bcc phase of Zr is simulated by molecular dynamics using an embedded-atom potential. Our results show strong asymmetric scattering cross sections in different Brillouin zones, in agreement with inelastic neutron scattering experiments. This anomalous behavior arises from fluctuations between the bcc and hcp phases. The phase fluctuations produce large anharmonic contributions to the dynamical structure factors, which are not predicted by traditional phonon theory
Additional details
Publishing Information
- Journal Title
- Physical Review Letters
- Journal Volume
- 74
- Journal Issue
- 8
- Journal Page Range
- p. 1375-1378.
- ISSN
- 0031-9007
- CODEN
- PRLTAO
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 26046597
- Subject category
- S36: MATERIALS SCIENCE; S36: MATERIALS SCIENCE;
- Descriptors DEI
- ANHARMONIC CRYSTALS; BCC LATTICES; COMPUTERIZED SIMULATION; DISPERSION RELATIONS; DYNAMICS; FLUCTUATIONS; PHONONS; STRUCTURE FACTORS; ZIRCONIUM
- Descriptors DEC
- CRYSTAL LATTICES; CRYSTAL STRUCTURE; CRYSTALS; CUBIC LATTICES; ELEMENTS; MECHANICS; METALS; QUASI PARTICLES; SIMULATION; TRANSITION ELEMENTS; VARIATIONS