Journal of Advanced Ceramics · 2023 · 31 citations · 45 references
Natural SciencesMaterials EngineeringMaterials ScienceCeramic MaterialsMaterials ChemistryNanomaterialsAlloysHigh-temperature MaterialsMetal MaterialsSinteringStrengthening MechanismsHigh-temperature AlloysMechanical PerformanceMxenesSpark Plasma SinteringStrengtheningTitanium AlloysTransition Metal CarbidesUltra-high-temperature Ceramics
The transition metal carbide/nitride core within MXenes makes them considerably useful for ultra-high temperature reinforcement. However, extensive research on Ti<sub>3</sub>C<sub>2</sub>T<em><sub>x</sub></em> MXene has revealed its tendency to undergo a phase transition to TiC<em><sub>y</sub></em> at temperatures above 800 °C due to the high activity of a superficial Ti atomic layer. Herein, spark plasma sintering of Ti<sub>3</sub>C<sub>2</sub>T<em><sub>x</sub></em> and TiC is performed to prevent the Ti<sub>3</sub>C<sub>2</sub>T<em><sub>x</sub></em> phase transition at temperatures up to 1900 °C through the fabrication of composites under a pressure of 50 MPa. Using a focused ion beam scanning electron microscope to separate the layered substances in the composites and examining selected area diffraction spots in a transmission electron microscope enabled identification of a non-phase-transitioned MXene. First-principles calculations based on density functional theory indicated the formation of strong chemical bonding interfaces between Ti<sub>3</sub>C<sub>2</sub>T<em><sub>x</sub></em> and TiC, which imposed a stability constraint on the Ti atomic layer at the Ti<sub>3</sub>C<sub>2</sub>T<em><sub>x</sub></em> surface. Mechanical performance tests, such as three-point bending and fracture toughness analysis, demonstrated that the addition of Ti<sub>3</sub>C<sub>2</sub>T<em><sub>x</sub></em> can effectively improve the cross-scale strengthening and toughening of the TiC matrix, providing a new path for designing and developing two-dimensional (2D) carbides cross-scale-enhanced three-dimensional (3D) carbides with the same elements relying on a wide variety of MXenes.
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First-principles simulation: ideas, illustrations and the CASTEP code
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