Wetting kinetics of TixMo1-xC in molten Fe and its influence on bicontinuous TixMo1-xC/Fe composite mechanics: Experimental, DFT and ML studies

Abstract

The TixMo1-xC precursor was rendered porous through PUF foam replication using a slurry of TiC and Mo powders. Mo was incorporated to increase the strength of pressureless sintering (PS). The precursor served as a reinforcement for bicontinuous TixMo1-xC/Fe composites through pressureless infiltration. The interaction between Fe and TixMo1-xC was studied through experimental and theoretical analyses, establishing interfacial adhesion as a key determinant of wettability. At 1550 °C, the TiC/Fe interface exhibits non-reactive wetting, with a contact angle of 9.5°. Addition of 10 wt% Mo escalates interfacial adhesion to 3.768 J/m2 and reduces the contact angle to 9.3° at 1400 °C. TixMo1-xC's precursor has a continuous structure, while composites exhibit slight continuity as predicated by convolutional neural networks (CNNs). The morphological classifications of TixMo1-xC/Fe composites were posited. Alteration from TiC to Ti0.95Mo0.05C increases Young's modulus and hardness from 449.74 GPa to 28.58 GPa–520.55 GPa and 32.32 GPa, respectively. Without heat treatment, the tensile strength of composites rises from 125 MPa to 208 MPa. Increased strain energy density increases the prominence of dimples.

Keywords

• TixMo1-xC/Fe composites
• Wetting kinetics
• Mechanical properties
• Density functional theory (DFT)
• Machine learning (ML)