High-pressure thermo-elastic properties of beryl (Al4Be6Si12O36) from ab initio calculations, and observations about the source of thermal expansion

2010 ◽  
Vol 38 (3) ◽  
pp. 223-239 ◽  
Author(s):  
Mauro Prencipe ◽  
Isacco Scanavino ◽  
Fabrizio Nestola ◽  
Marco Merlini ◽  
Bartolomeo Civalleri ◽  
...  
Keyword(s):  
High Pressure ◽  
Thermal Expansion ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Elastic Properties

High-pressure elastic properties of cubic Ir 2 P from ab initio calculations

2016 ◽  
Vol 380 (43) ◽  
pp. 3672-3677 ◽  
Author(s):  
Xiao-Wei Sun ◽  
Nadhira Bioud ◽  
Zhi-Jian Fu ◽  
Xiao-Ping Wei ◽  
Ting Song ◽  
...  
Keyword(s):  
High Pressure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Elastic Properties

Ab-initio Calculations of Properties for NbB 2 Under High-Pressure Using Quantum ESPRESSO

2019 ◽  
Author(s):  
Tara Prasad ◽  
MC Shah ◽  
Pankaja Singh ◽  
Tanveer Ahmad Wani
Keyword(s):  
High Pressure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Quantum Espresso

Elastic properties of rare-earth borate crystals RM(BO3)4 (R=Ce-Lu, M= Fe, Al, Ga, Cr): ab initio calculations

2019 ◽  
Vol 87 ◽  
pp. 70-73
Author(s):  
V.P. Petrov ◽  
V.A. Chernyshev ◽  
A.E. Nikiforov ◽  
N.M. Avram
Keyword(s):  
Rare Earth ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Elastic Properties ◽  
Rare Earth Borate

High-pressure study of a nanostructured SnSe1−xSx (x = 0.5) solid solution by in-situ X-ray diffraction and ab-initio calculations

2019 ◽  
Vol 792 ◽  
pp. 536-542
Author(s):  
Larissa da Silva Marques ◽  
Joelma Maria de Oliveira Ferreira ◽  
Querem Hapuque Félix Rebelo ◽  
Angsula Ghosh ◽  
Daniela Menegon Trichês ◽  
...  
Keyword(s):  
Solid Solution ◽  
High Pressure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
X Ray Diffraction ◽  
X Ray ◽  
High Pressure Study

High-pressure melting line of helium from ab initio calculations

2019 ◽  
Vol 100 (18) ◽  
Author(s):  
Martin Preising ◽  
Ronald Redmer
Keyword(s):  
High Pressure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Melting Line ◽  
Pressure Melting

Determination of the Elastic Properties of Au5Sn and AuSn from Ab Initio Calculations

2008 ◽  
Vol 37 (7) ◽  
pp. 968-974 ◽  
Author(s):  
Rong An ◽  
Chunqing Wang ◽  
Yanhong Tian
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Elastic Properties
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