Michele Simoncelli, assistant professor of applied physics and applied mathematics at Columbia Engineering. She is currently making major advancements continuing the study of materials returned from meteorites. Simoncelli and her team took a fresh look at these issues, starting from quantum mechanics. To that end, they created a revolutionary equation that strikes to the core of revealing the thermal conductivity trends in crystals and glasses. This groundbreaking work has the potential to be transformative across industries that benefit from effective heat management, like steel manufacturing.
The team looked beyond the immediate potential commercial opportunities and envisioned what could be. They figured that a special type of silicon dioxide—tridymite—would display the best hybrid crystal/glass characteristics. This substance was originally interpreted in the 1960s as a chondrite, or standard meteorite. It has recently emerged as a highly promising material for retaining thermal conductivity over a wide temperature range. The implications of these findings certainly reach beyond the theoretical. Assuming the atomic structure of meteoric tridymite, experiments show that its atomic structure lies between a highly ordered crystal and a completely disordered glass.
Unraveling Thermal Conductivity
Michele Simoncelli, postdoc, looks at the interplay between atomic structure and thermal conductivity through atomic-scale simulations. His research focuses in particular on silicon-dioxide based materials. Her group operates on three core pillars: first-principles theories, artificial intelligence simulation methods, and material design. By applying new data-driven machine-learning techniques, the team can simulate atomic-scale properties that govern heat transport with incredible precision.
The resulting /equation/ describes the unique behavior of defective or partially disordered materials. Pinpointing how heat moving through them interacts with these bonds gives us a much richer picture of their heat conduction. Simoncelli emphasizes the importance of establishing a strong foundation for knowledge, stating, “the first basis from which a thing is known” – Aristotle. This philosophy is at the heart of their creative approach to breakthrough solutions in materials science.
Simoncelli and her fellow researchers undertook a monumental task. These showed that silicon dioxide tridymite has nearly constant thermal conductivity from 80 K to 380 K. This uniformity of thermal conductivity is such an important characteristic that it defines and distinguishes tridymite from other materials.
Implications for Steel Production
Beyond being integral to the single largest production sector for carbon emissions, this research is especially timely and essential considering the state of steel production. Currently, steel production emits approximately 1.3 kg of carbon dioxide per kg of steel produced. This process is responsible for about 7% of the United States’ overall carbon emissions. The kinds of materials that could be developed from tridymite could change the game on how efficiently we control heat when making steel products.
Further heat control is realised by manufactuer’s hybrids mixing crystal-glass materials such as tridymite. For this reason, this innovation results in major cuts in energy usage and carbon emissions. This current work is focusing on closing the divide between what has been theoretically predicted and what can be applied in practice, especially in an industrial environment.
Future Directions in Material Science
Still, Simoncelli’s team is out there pushing the envelope on new methodologies and applications for their findings. They mesh first-principles theories with hi-tech machine-learning approaches. Their aim is to find and engineer novel materials that would lead to enhanced thermal management. Simoncelli, Nicola Marzari, and Francesco Mauri have collaborated to push forward our understanding of material behavior at the atomic level. Their paired work has provided new pathways for inquiry within this burgeoning field.
As scientists continue to explore the elements behind this new shift, the possibilities for creative application across industries are limitless. That study, on silicon dioxide tridymite, deepened foundational industry academic knowledge. It further addresses pressing environmental concerns connected to the petroleum/chemical industry.