In Russia, researchers unveiled a new approach for synthesizing five-component carbides that promises higher efficiency. The development was reported by the Skoltech press service, highlighting the collaboration between Skoltech scientists and colleagues from other institutions. High entropy carbides (HECs) are multicomponent single-phase solid solutions that include five or more transition metal carbides. Their crystal lattice resembles the structure of table salt, which helps explain their remarkable properties. These materials attract significant attention because they combine very high melting points with low thermal conductivity, along with exceptional hardness and crack resistance, making them strong candidates for demanding industrial applications. Source: Skoltech press service.
Researchers at Skoltech, together with partners from other universities, mapped out the temperature conditions required for electric arc synthesis to produce both single-phase and multi-phase samples of HECs, sometimes referred to as WEC in multi-phase form. Single-phase materials feature a uniform distribution of all metal atoms throughout the crystal lattice, while multi-phase samples display coexistence of two or more distinct carbide phases. Through machine learning driven calculations and numerical simulations, scientists found that employing a lower synthesis temperature promotes the formation of multi-phase HECs in which several different carbide phases coexist. When the temperature rises above 1500 °C, the system tends to form a single-phase HEC, resulting in a distinct material class. Source: Skoltech press service.
To predict which crystal structures would be thermodynamically stable across different synthesis temperatures, the canonical Monte Carlo method was employed. This approach helped determine the precise single-phase transition temperature for polyphase HEC systems. The team then designed experiments that tested temperatures below and above this transition, comparing empirical results with the computer model predictions. The experimental outcomes confirmed the simulation data, demonstrating a seamless transition from computational design to tangible samples. Vadim Sotskov, a PhD student at Skoltech working on the application of artificial intelligence to materials science, described the process as one where a computer model guides real-world sample creation. Source: Skoltech press service.
Adopting electric arc synthesis for HEC production offers a potential advantage in energy efficiency compared with reactive spark plasma sintering. The resulting materials hold promise for heat-resistant ceramics and highly effective catalysts, making them valuable for the chemical industry and related sectors. The shift toward arc-based methods aligns with broader efforts to optimize manufacturing energy use while delivering materials with superior performance characteristics. Source: Skoltech press service.
These findings contribute to a broader understanding of how complex, multi-component carbides form under controlled thermal conditions and how AI-driven modeling can accelerate materials discovery. By linking computer simulations with laboratory experiments, researchers are building a clearer roadmap for designing HECs with tailored properties for high-temperature and high-stress applications. This integrated approach exemplifies how modern computational tools can shorten development cycles and reduce experimentation costs, accelerating the deployment of next-generation materials in energy, aerospace, and industrial catalysis. Source: Skoltech press service.