Localization model description of the interfacial dynamics of crystalline Cu and Cu64Zr36 metallic glass films.

作者: Gazi Mahmud , Hao Zhang , Jack F. Douglas

DOI: 10.1063/5.0022937

关键词: Amorphous metalPicosecondParticleWork (thermodynamics)Mean squared displacementRelaxation (NMR)Chemical physicsAmorphous solidMaterials scienceRange (particle radiation)

摘要: Recent studies of structural relaxation in Cu-Zr metallic glass materials having a range compositions and over wide temperatures crystalline UO2 under superionic conditions have indicated that the localization model (LM) can predict time τα these from intermediate scattering function without any free parameters particle mean square displacement ⟨r2⟩ at caging on order ps, i.e., "Debye-Waller factor" (DWF). In present work, we test whether this remarkable relation between "fast" picosecond dynamics rate amorphous be extended to prediction local interfacial films. Specifically, simulate free-standing Cu64Zr36 Cu films find LM provides an excellent parameter-free for region. We also show Tammann temperature, defining initial formation mobile layer, estimated precisely both glass-forming solid condition DWFs region material interior coincide.

参考文章(176)
J.A Moulijn, A.E van Diepen, F Kapteijn, Catalyst deactivation: is it predictable?: What to do? Applied Catalysis A-general. ,vol. 212, pp. 3- 16 ,(2001) , 10.1016/S0926-860X(00)00842-5
Thierry Dauxois, Stefano Ruffo, Alessandro Torcini, MODULATIONAL ESTIMATE FOR THE MAXIMAL LYAPUNOV EXPONENT IN FERMI-PASTA-ULAM CHAINS Physical Review E. ,vol. 56, ,(1997) , 10.1103/PHYSREVE.56.R6229
Yohei Okada, Masahiro Ikeda, Masaru Aniya, Non-Arrhenius ionic conductivity in solid electrolytes: A theoretical model and its relation with the bonding nature Solid State Ionics. ,vol. 281, pp. 43- 48 ,(2015) , 10.1016/J.SSI.2015.08.020
Jacek Dudowicz, Karl F. Freed, Jack F. Douglas, Generalized Entropy Theory of Polymer Glass Formation Advances in Chemical Physics. pp. 125- 222 ,(2008) , 10.1002/9780470238080.CH3
Seok-Woo Lee, Mehdi Jafary-Zadeh, David Z. Chen, Yong-Wei Zhang, Julia R. Greer, Size Effect Suppresses Brittle Failure in Hollow Cu60Zr40 Metallic Glass Nanolattices Deformed at Cryogenic Temperatures Nano Letters. ,vol. 15, pp. 5673- 5681 ,(2015) , 10.1021/ACS.NANOLETT.5B01034
Vincenzo Fiorentini, Michael Methfessel, Matthias Scheffler, Reconstruction mechanism of fcc transition metal (001) surfaces. Physical Review Letters. ,vol. 71, pp. 1051- 1054 ,(1993) , 10.1103/PHYSREVLETT.71.1051
R. E. ALLEN, F. W. DE WETTE, A. RAHMAN, Calculation of Dynamical Surface Properties of Noble-Gas Crystals. II. Molecular Dynamics Physical Review. ,vol. 179, pp. 887- 891 ,(1969) , 10.1103/PHYSREV.179.887
Lapo Casetti, Roberto Livi, Marco Pettini, Gaussian model for chaotic instability of Hamiltonian flows. Physical Review Letters. ,vol. 74, pp. 375- 378 ,(1995) , 10.1103/PHYSREVLETT.74.375
Gerold Adam, Julian H. Gibbs, On the Temperature Dependence of Cooperative Relaxation Properties in Glass‐Forming Liquids Journal of Chemical Physics. ,vol. 43, pp. 139- 146 ,(1965) , 10.1063/1.1696442
Hao Zhang, Ying Yang, Jack F. Douglas, Influence of string-like cooperative atomic motion on surface diffusion in the (110) interfacial region of crystalline Ni Journal of Chemical Physics. ,vol. 142, pp. 084704- 084704 ,(2015) , 10.1063/1.4908136