scholarly journals CALPHAD modeling of the glass transition for a pure substance, coupling thermodynamics and relaxation kinetics

Calphad ◽  
2021 ◽  
Vol 72 ◽  
pp. 102238
Author(s):  
P. Benigni
2002 ◽  
Vol 754 ◽  
Author(s):  
Alexander S. Bakai ◽  
Nikolai P. Lazarev ◽  
Kia L. Ngai

ABSTRACTMolecular dynamics simulations of structure, thermodynamic and kinetic properties of model metallic AgCu alloy are performed to elucidate its behavior at glass transition. In spite of small variations of inherent structure of the alloy the relaxation kinetics undergo dramatic changes at the glass transition. The time dependences of the mean square displacements and the non-Gaussianity parameter show the signatures of anomalous diffusion in an intermediate time region. Analysis of time evolution of van Hove correlation function indicates the existence both jump displacements and short-range cooperative atomic rearrangements. Below Tg these cooperative rearrangements do not contribute to long-range diffusion but they still dominate the relaxation at short time.


2003 ◽  
Vol 806 ◽  
Author(s):  
Minalben B. Shah ◽  
Ralf Busch

ABSTRACTIsothermal relaxation studies of the Zr58.5Cu15.6Ni12.8Al10.3Nb2.8 bulk metallic glass forming alloy were performed using Differential Scanning Calorimetry in the glass transition and the supercooled liquid region. A new experimental method was developed to study the isothermal enthalpy relaxation kinetics. The results reveal that the enthalpy relaxes in an Arrhenius fashion. The activation energy obtained from the Arrhenius fit is comparable to the activation energy required for the diffusion of the medium size atoms. This suggests that the solid-state diffusion governs the enthalpy relaxation process. The stretching exponents for the relaxation are close to unity, which indicates that the alloy is a rather strong glass former.


2007 ◽  
Vol 43 (1) ◽  
pp. 249-254 ◽  
Author(s):  
L. Delbreilh ◽  
E. Dargent ◽  
J. Grenet ◽  
J.-M. Saiter ◽  
A. Bernès ◽  
...  

2007 ◽  
pp. 2059-2064
Author(s):  
Osami Haruyama ◽  
Yoshihiko Yokoyama ◽  
Hisamichi Kimura ◽  
Akihisa Inoue ◽  
Nobuyuki Nishiyama

1998 ◽  
Vol 77 (2) ◽  
pp. 305-311 ◽  
Author(s):  
Thomas Scheidsteger, Rolf Schilling

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