Thermodynamic analysis of the W–Co–Cr system supported by ab initio calculations and verified with quaternary data

Calphad ◽  
2015 ◽  
Vol 50 ◽  
pp. 59-67 ◽  
Author(s):  
Bartek Kaplan ◽  
Andreas Blomqvist ◽  
Malin Selleby ◽  
Susanne Norgren
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Thermodynamic Analysis ◽  
Cr System

Thermodynamic analysis of the filling fraction limits for impurities in CoSb3 based on ab initio calculations

2008 ◽  
Vol 56 (8) ◽  
pp. 1733-1740 ◽  
Author(s):  
X. Shi ◽  
W. Zhang ◽  
L.D. Chen ◽  
J. Yang ◽  
C. Uher
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Thermodynamic Analysis ◽  
Filling Fraction

scholarly journals Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations

2004 ◽  
Vol 45 (5) ◽  
pp. 1507-1514 ◽  
Author(s):  
Tatsuya Tokunaga ◽  
Koji Hashima ◽  
Hiroshi Ohtani ◽  
Mitsuhiro Hasebe
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Thermodynamic Analysis ◽  
Thermochemical Properties

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force

Ab Initio Calculations of Defects in CdMnSe Semimagnetic Semiconductors

2020 ◽  
Vol 55 (1) ◽  
pp. 108-113
Author(s):  
M. A. Mehrabova ◽  
H. S. Orujov ◽  
N. H. Hasanov ◽  
A. I. Kazimova ◽  
A. A. Abdullayeva
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Semimagnetic Semiconductors
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