High-entropy Lead-free Piezoelectric Ceramics

The discovery of "high-entropy" materials has been a game-changer in materials science. In simple terms, by mixing many different elements in roughly equal amounts, scientists can create new, stable materials with surprising properties. This approach has already led to advanced ceramics for storing electrical energy.However, applying this same "high-entropy" strategy to create lead-free piezoelectric ceramics—the materials that convert between electrical signals and mechanical force in sensors, medical imagers, and actuators—is much more difficult. The very thing that makes high-entropy materials good for energy storage—their inherent disorder—works against the needs of a piezoelectric. Piezoelectricity requires a well-organized, stable internal structure that can smoothly switch when voltage or pressure is applied. Right now, we lack the knowledge to design these complex, eco-friendly materials predictably, which is a major roadblock.This project aims to break through that roadblock by creating a new design framework for high-performance, lead-free piezoelectric ceramics. Our core idea is that we can precisely control the "entropy" or disorder. Instead of letting it randomly disrupt the material, we will use it as a tuning knob to engineer the material's intrinsic structure at multiple scales, from the atomic level up, to enhance both its performance and its stability.To prove this, we will combine powerful computer simulations with real-world experiments. Computer models will help us understand how the mixture of different atoms affects the material's ability to generate an electrical charge. We will also use machine learning to sift through thousands of potential chemical recipes to find the most promising ones. These computer-guided recipes will then be used to fabricate actual ceramics in the lab, which we will analyze with advanced tools to link their microscopic structure to their performance.The expected results of this research are threefold. First, it will provide new fundamental knowledge about how disorder can be used to control material properties, moving beyond current trial-and-error methods. Second, it will deliver a proven and scalable design platform to accelerate the discovery of future high-entropy materials. Finally, the project will produce prototype lead-free piezoelectric materials that match or exceed the performance of traditional, toxic lead-based ceramics, offering a powerful and sustainable alternative for next-generation technologies in healthcare, infrastructure monitoring, and energy systems.