thermodynamic characterization
Recently Published Documents


TOTAL DOCUMENTS

627
(FIVE YEARS 63)

H-INDEX

50
(FIVE YEARS 6)

Author(s):  
Vogar Leonel Nieto-Sarabia ◽  
Christian Bryan Ballinas-Cesatti ◽  
Guiomar Melgar-Lalanne ◽  
Eliseo Cristiani-Urbina ◽  
Liliana Morales-Barrera

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Marco Esters ◽  
Corey Oses ◽  
David Hicks ◽  
Michael J. Mehl ◽  
Michal Jahnátek ◽  
...  

AbstractHigh-entropy ceramics are attracting significant interest due to their exceptional chemical stability and physical properties. While configurational entropy descriptors have been successfully implemented to predict their formation and even to discover new materials, the contribution of vibrations to their stability has been contentious. This work unravels the issue by computationally integrating disorder parameterization, phonon modeling, and thermodynamic characterization. Three recently synthesized carbides are used as a testbed: (HfNbTaTiV)C, (HfNbTaTiW)C, and (HfNbTaTiZr)C. It is found that vibrational contributions should not be neglected when precursors or decomposition products have different nearest-neighbor environments from the high-entropy carbide.


Author(s):  
Nur Hidayah Zainan ◽  
Mohd Azan Mohammed Sapardi ◽  
Bernard Chon Han Ho ◽  
Shamsul Izhar Siajam ◽  
Siti Mazlina Mustapa Kamal ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document