PDGPT: A large language model for acquiring phase diagram information in magnesium alloys

Abstract Magnesium alloys, known for their lightweight advantages, are increasingly in demand across a range of applications, from aerospace to the automotive industry. With rising requirements for strength and corrosion resistance, the development of new magnesium alloy systems has become critical. Phase diagrams play a crucial role in guiding the magnesium alloy design by providing key insights into phase stability, composition, and temperature ranges, enabling the optimization of alloy properties and processing conditions. However, accessing and interpreting phase diagram data with thermodynamic calculation software can be complex and time‐consuming, often requiring intricate calculations and iterative refinement based on thermodynamic models. To address this challenge, we introduce PDGPT, a ChatGPT‐based large language model designed to streamline the acquisition of magnesium alloys Phase Diagram information with high efficiency and accuracy. Enhanced by prompt‐engineering, supervised fine‐tuning and retrieval‐augmented generation, PDGPT leverages the predictive and reasoning capabilities of large language models along with computational phase diagram data. By combining large language models with traditional phase diagram research tools, PDGPT not only improves the accessibility of critical phase diagram information but also sets the stage for future advancements in applying large language models to materials science.