2021
DOI: 10.3390/met11091399
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Local Lattice Distortion in High-Entropy Carbide Ceramics

Abstract: Using the ab initio calculations, we study the lattice distortion of HfNbTaTiVC5, HfNbTaTiZrC5 and MoNbTaTiVC5 high-entropy carbide (HEC) ceramics. Results indicate that the Bader atomic radius and charge transfer in HECs is very close to those from binary carbide. The degree of lattice distortion strongly depends on the alloying element. The Bader atomic radius can excellently describe the lattice distortion in HEC. Further, the corresponding atomic radius and formation enthalpy of binary carbides may be indi… Show more

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Cited by 7 publications
(2 citation statements)
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“…However, few studies have been dedicated to this topic [6,12]. TE investigations of non-oxide HE ceramics like borides [14][15][16][17] or carbides [18][19][20] have been limited and most studies have only speculated about the effects. Computational studies suggest that the compositional diversity may affect TE [15,20].…”
Section: Introductionmentioning
confidence: 99%
“…However, few studies have been dedicated to this topic [6,12]. TE investigations of non-oxide HE ceramics like borides [14][15][16][17] or carbides [18][19][20] have been limited and most studies have only speculated about the effects. Computational studies suggest that the compositional diversity may affect TE [15,20].…”
Section: Introductionmentioning
confidence: 99%
“…Esta deformación o distorsión en la red dificulta el deslizamiento de las dislocaciones. Ejemplo de elementos que producen una distorsión sobre la red de Fe son el Ti y Nb aumentando el refuerzo por solución sólida [63][64][65]. Sin embargo, son fuertes formadores de carburos.…”
Section: Mecanismo De Refuerzo Por Solución Sólidaunclassified