Fictive temperature and medium range order in silicate glasses: a relationship between heat capacity and boson peak

1998 ◽  
Vol 77 (2) ◽  
pp. 663-669 ◽  
Author(s):  
B. Champagnon, C. Chemarin, P. Richet
2020 ◽  
Vol 6 (37) ◽  
pp. eabc2320
Author(s):  
Søren S. Sørensen ◽  
Christophe A. N. Biscio ◽  
Mathieu Bauchy ◽  
Lisbeth Fajstrup ◽  
Morten M. Smedskjaer

Despite the numerous technological applications of amorphous materials, such as glasses, the understanding of their medium-range order (MRO) structure—and particularly the origin of the first sharp diffraction peak (FSDP) in the structure factor—remains elusive. Here, we use persistent homology, an emergent type of topological data analysis, to understand MRO structure in sodium silicate glasses. To enable this analysis, we introduce a self-consistent categorization of rings with rigorous geometrical definitions of the structural entities. Furthermore, we enable quantitative comparison of the persistence diagrams by computing the cumulative sum of all points weighted by their lifetime. On the basis of these analysis methods, we show that the approach can be used to deconvolute the contributions of various MRO features to the FSDP. More generally, the developed methodology can be applied to analyze and categorize molecular dynamics data and understand MRO structure in any class of amorphous solids.


2013 ◽  
Vol 65 ◽  
pp. 50-57 ◽  
Author(s):  
Domingos De Sousa Meneses ◽  
Myriam Eckes ◽  
Leire del Campo ◽  
Cristiane N. Santos ◽  
Yann Vaills ◽  
...  

1997 ◽  
Vol 216 ◽  
pp. 111-115 ◽  
Author(s):  
C. Chemarin ◽  
B. Champagnon ◽  
G. Panczer

1996 ◽  
Vol 128 (1-4) ◽  
pp. 77-91 ◽  
Author(s):  
L. Cormier ◽  
S. Creux ◽  
L. Galoisy ◽  
G. Calas ◽  
Ph. Gaskell

2016 ◽  
Vol 18 (16) ◽  
pp. 10887-10895 ◽  
Author(s):  
Hao Liu ◽  
Morten M. Smedskjaer ◽  
Haizheng Tao ◽  
Lars R. Jensen ◽  
Xiujian Zhao ◽  
...  

Intermediate range order (IRO) structures have a major impact on the composition dependence of the configurational heat capacity of glass.


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