High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x

2009 ◽  
Vol 21 (2) ◽  
pp. 392-398 ◽  
Author(s):  
Rainer Niewa ◽  
Dieter Rau ◽  
Aron Wosylus ◽  
Katrin Meier ◽  
Michael Hanfland ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Structure ◽  
Crystal Growth ◽  
High Temperature ◽  
Equation Of State ◽  
Electronic Structure Calculations ◽  
Single Crystal Growth ◽  
High Pressure High Temperature ◽  
Structure Calculations ◽  
Ab Initio Electronic Structure

Phase Stability at Martensitic Transformation in Zr-Based Shape Memory Intermetallics

2013 ◽  
Vol 738-739 ◽  
pp. 15-19 ◽  
Author(s):  
Georgiy Firstov ◽  
Andrei Timoshevski ◽  
Yuri Koval ◽  
Sergey Yablonovski ◽  
Jan Van Humbeeck
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
High Temperature ◽  
Martensitic Transformation ◽  
Intermetallic Compound ◽  
Shape Memory ◽  
Structural Changes ◽  
Electronic Structure Calculations ◽  
Structure Calculations ◽  
Ab Initio Electronic Structure

This article is dedicated to the estimation of the relative stability for B2, B19`, B33 and Cm phase in ZrCu-ZrNi-ZrCo intermetallic compound row through the ab-initio electronic structure calculations and subsequent crystal structure Rietveld refinement. The information about electronic and crystal structure of phases in Zr-based intermetallics will allow selecting for this high temperature shape memory alloy such alloying elements that will significantly improve shape memory behavior through definite structural changes.

Single crystal growth of BiMnO3under high pressure–high temperature

2009 ◽  
Vol 29 (4) ◽  
pp. 600-604 ◽  
Author(s):  
P. Toulemonde ◽  
C. Darie ◽  
C. Goujon ◽  
M. Legendre ◽  
T. Mendonca ◽  
...  
Keyword(s):  
High Pressure ◽  
Crystal Growth ◽  
High Temperature ◽  
Single Crystal ◽  
Single Crystal Growth ◽  
High Pressure High Temperature

High-pressure–high-temperature equation of state of KCl and KBr

2012 ◽  
Vol 85 (21) ◽  
Author(s):  
A. Dewaele ◽  
A. B. Belonoshko ◽  
G. Garbarino ◽  
F. Occelli ◽  
P. Bouvier ◽  
...  
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Equation Of State ◽  
High Pressure High Temperature ◽  
Temperature Equation

Ab initio electronic structure calculations and optical properties of ordered and disordered Ni3Al

2011 ◽  
Vol 509 (17) ◽  
pp. 5230-5237 ◽  
Author(s):  
Altaf Hussain ◽  
Sitaram Aryal ◽  
Paul Rulis ◽  
M. Arshad Choudhry ◽  
Jun Chen ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ab Initio ◽  
Electronic Structure Calculations ◽  
Structure Calculations ◽  
Ab Initio Electronic Structure
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