A first-principles study of the stability and mechanical properties of ternary transition metal carbide alloys

2019 ◽  
Vol 125 (23) ◽  
pp. 235101
Author(s):  
V. I. Ivashchenko ◽  
P. E. A. Turchi ◽  
N. R. Medukh ◽  
V. I. Shevchenko ◽  
Leonid Gorb ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Transition Metal ◽  
First Principles ◽  
Transition Metal Carbide ◽  
Metal Carbide ◽  
First Principles Study ◽  
The Stability

Impact of strain on the surface properties of transition metal carbide films: First-principles study

2010 ◽  
Vol 107 (8) ◽  
pp. 083521 ◽  
Author(s):  
D. I. Bazhanov ◽  
I. V. Mutigullin ◽  
A. A. Knizhnik ◽  
B. V. Potapkin ◽  
A. A. Bagaturyants ◽  
...  
Keyword(s):  
Transition Metal ◽  
Surface Properties ◽  
First Principles ◽  
Transition Metal Carbide ◽  
Metal Carbide ◽  
First Principles Study

Tribo-mechanical properties of reactive magnetron sputtered transition metal carbide coatings

2017 ◽  
Vol 114 ◽  
pp. 234-244 ◽  
Author(s):  
D. Dinesh Kumar ◽  
N. Kumar ◽  
S. Kalaiselvam ◽  
R. Radhika ◽  
Arul Maximus Rabel ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Transition Metal ◽  
Transition Metal Carbide ◽  
Reactive Magnetron ◽  
Metal Carbide ◽  
Carbide Coatings

Structural prediction and multilayer Li+ storage in two-dimensional VC2 carbide studied by first-principles calculations

2019 ◽  
Vol 7 (15) ◽  
pp. 8873-8881 ◽  
Author(s):  
Jing Xu ◽  
Dashuai Wang ◽  
Ruqian Lian ◽  
Xinying Gao ◽  
Yanhui Liu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Electrochemical Properties ◽  
First Principles ◽  
Transition Metal Carbide ◽  
Two Dimensional ◽  
Metal Carbide ◽  
First Principles Calculations ◽  
Structural Prediction ◽  
Li Storage

VC2, a new two-dimensional transition metal carbide containing C2 dimers, shows promising electrochemical properties in LIBs.

First Principles Study on the Stability and Mechanical Properties of MB (M=V, Nb and Ta) Compounds

2013 ◽  
Vol 30 (11) ◽  
pp. 117101 ◽  
Author(s):  
Chen-Jin Qi ◽  
Jing Feng ◽  
Rong-Feng Zhou ◽  
Ye-Hua Jiang ◽  
Rong Zhou
Keyword(s):  
Mechanical Properties ◽  
First Principles ◽  
First Principles Study ◽  
The Stability

Growth, structure, and mechanical properties of transition metal carbide superlattices

2001 ◽  
Vol 16 (5) ◽  
pp. 1301-1310 ◽  
Author(s):  
H. Högberg ◽  
J. Birch ◽  
M. Odén ◽  
J-O. Malm ◽  
L. Hultman ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Transition Metal ◽  
Magnetron Sputtering ◽  
Epitaxial Growth ◽  
Direct Current ◽  
Transition Metal Carbide ◽  
Metal Carbide ◽  
Columnar Microstructure ◽  
Partial Loss ◽  
Growth Structure

Superlattices of TiC/VC have been deposited on MgO(001) substrates by simultaneous direct current metal magnetron sputtering and C60 evaporation in the temperature range 200–800 °C. Thin superlattices (approximately 1000 Å) deposited at 400 °C exhibited an epitaxial growth with abrupt interfaces while films deposited at 200 °C showed a partial loss of epitaxy. At 800 °C roughening by surface diffusion started to degrade the superlattices and introduced a columnar microstructure. A loss of epitaxy was observed for thicker (>7000 Å) superlattice films deposited at 400 °C. The results suggest that this observation is due to difficulties in depositing epitaxial VC.

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