Title :

Modeling of the intrinsic softening of γ-carbides in cemented carbides

Author(s) :

Lamelas, V. [Auteur]
KTH Royal Institute of Technology [Stockholm] [KTH]
Tian, L. [Auteur]
KTH Royal Institute of Technology [Stockholm] [KTH]
Rolland, Manon [Auteur]
KTH Royal Institute of Technology [Stockholm] [KTH]
Unité Matériaux et Transformations (UMET) - UMR 8207
Walbrühl, M. [Auteur]
Lizárraga, R. [Auteur]
KTH Royal Institute of Technology [Stockholm] [KTH]
Borgenstam, A. [Auteur]
KTH Royal Institute of Technology [Stockholm] [KTH]

Journal title :

Materials Today Communications

Abbreviated title :

Materials Today Communications

Volume number :

37

Pages :

107454

Publisher :

Elsevier BV

Publication date :

2023-12

ISSN :

2352-4928

English keyword(s) :

Cemented carbides
Hardness
Transition metal carbides
First principles
Modelling
Peierls-Nabarro

HAL domain(s) :

Chimie/Matériaux
Physique [physics]/Matière Condensée [cond-mat]/Science des matériaux [cond-mat.mtrl-sci]

English abstract : [en]

Cemented carbides are widely used materials in industrial applications due to their remarkable combination of hardness and toughness. However, they are exposed to high temperatures during service leading to a reduction of ...
Show more >Cemented carbides are widely used materials in industrial applications due to their remarkable combination of hardness and toughness. However, they are exposed to high temperatures during service leading to a reduction of their hardness. A common practice to damp this softening is to incorporate transition metal carbides in cemented carbide compositions, which keeps the hardness relatively higher when temperature increases. Understanding the underlying mechanisms of this softening is crucial for the development of cemented carbides with optimal properties. In this work, atomic-scale mechanisms taking place during plastic deformation are analyzed and linked to the effect that they have on the intrinsic macro-scale softening of the most common TMC used in cemented carbides grades (TiC, ZrC, HfC, VC, NbC and TaC). The proposed model uses the generalized stacking fault energy obtained from density functional theory calculations as an input to Peierls-Nabarro analytical models to obtain the critically resolved shear stress needed for deformation to occur in different slip systems. Subsequently, this information is used to predict the hardness variation across the temperature service range experienced by cemented carbides in wear applications. In addition to the prediction of hot-hardness for TMC, the obtained results also offer valuable insights into the intrinsic mechanisms governing TMCs deformation. The results facilitate the identification of dominant dislocation types influencing plasticity within distinct temperature regimes, define energetically favorable slip systems, and predict the brittle-ductile transition temperature in these materials. For instance, for group IV carbides at low temperatures, the slip system with a lower GSFE is ̅ and around 30% of their melting temperature, the GSFE of partial slip in ̅ becomes lower, changing the dominant slip mechanism and characterizing the Brittle-Ductile transition.Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

Université de Lille
CNRS
INRAE
ENSCL

Collections :

• Unité Matériaux et Transformations (UMET) - UMR 8207

Research team(s) :

Métallurgie Physique et Génie des Matériaux

Submission date :

2023-11-06T08:38:29Z
2023-11-10T08:49:30Z