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The atomistic mechanism of fast relaxation processes in Cu<inf>65</inf>Zr<inf>35</inf> glass
- Publication venue
- Acta Materialia
- Publication date
- 01/01/2017
- Field of study
© 2017 Acta Materialia Inc. Molecular-dynamics simulations of the glass Cu 65 Zr 35 show a rattling mode of atomic motion. While the frequency of the rattling mechanism is essentially independent of temperature and of the strain applied to the glass, the fraction of atoms undergoing rattling is dependent on temperature and strain. It is argued that the rattling motions constitute the ‘fast processes’ that lie between β relaxation and the boson peak in the characteristic spectrum of dynamic modes in glasses. It is concluded that the fast processes are a precursor to β relaxation and that their inhomogeneous distribution in the metallic glass is the origin of the shear transformation zones governing the onset of plastic flow
Vibrational Properties of 2D Copper Islands on the CU(111) Surface by MD Simulations
- Author
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2002
- Field of study
Conformational analysis of a polyconjugated protein-binding ligand by joint quantum chemistry and polarizable molecular mechanics. Addressing the issues of anisotropy, conjugation, polarization, and multipole transferability
- Author
- A Becke
- A Jain
- A Jarvis
- A Stone
- AJ Stone
- B Allain
- B Courcy
- B Silvi
- Benoit de Courcy
- C Lee
- C McInnes
- CA Sotriffer
- Christiane Garbay
- CN Cavasotto
- D Feller
- D Jiao
- DR Garmer
- E Gloaguen
- Elodie Goldwaser
- F Rogalewicz
- Françoise Raynaud
- G Schneider
- G Tiraboschi
- GA Evangelakis
- H Guo
- J Antony
- J Irwin
- J Zhang
- J Zheng
- J-P Piquemal
- J-P Piquemal
- J-P Piquemal
- J-P Piquemal
- Jean-Philip Piquemal
- Luc Demange
- M Head-Gordon
- M Head-Gordon
- M Tafipolsky
- MD Beachy
- MK Gilson
- MW Schmidt
- N Gresh
- N Gresh
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- Nohad Gresh
- P Ren
- P Ren
- R Chaudret
- R Klug
- Reda Hadj-Slimane
- RJ Meier
- RJ Meier
- RT Kroemer
- S Djordjevic
- S Grimme
- T Mourik van
- TH Dunning
- WJ Stevens
- Publication venue
- 'Springer Science and Business Media LLC'
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Psychopharmakotherapie
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- Amine oxidase inhibitors
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- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/1963
- Field of study