Researchers have used AI to uncover new insights into dislocations in polycrystalline materials, challenging existing scientific models and paving the way for improved material performance in electronics and solar cells. Credit: SciTechDaily.com
scientists of Nagoya University A Japanese research team is conducting research to understand tiny defects called dislocations in polycrystalline materials, materials widely used in information devices, solar cells, electronic devices, etc., that can reduce device efficiency. A new method was discovered using artificial intelligence.The research results were published in a magazine advanced materials.
Challenge of polycrystalline materials
Almost all devices we use in modern life contain polycrystalline components. From smartphones to computers to car metals and ceramics. Nevertheless, polycrystalline materials are difficult to utilize due to their complex structures. In addition to its composition, the performance of polycrystalline materials is affected by its complex microstructure, dislocations, and impurities.
A major problem when using polycrystals in industry is the formation of small crystal defects caused by stress and temperature changes. These are known as dislocations and can disrupt the regular arrangement of atoms in the lattice, affecting electrical conduction and overall performance. Understanding the formation of these dislocations is important to reduce the likelihood of failure in devices using polycrystalline materials.
Researchers used 3D models created by AI to understand complex polycrystalline materials used in everyday electronics.Credit: Kenta Yamakoshi
AI-powered discovery
A research team led by Professor Noritaka Usa of Nagoya University and consisting of Lecturer Tatsuya Yokoi, Associate Professor Hiroaki Kudo, and other collaborators is using new AI to investigate polycrystalline silicon, which is widely used in solar panels. We analyzed image data of a material called . AI created his 3D model in virtual space and helped the team identify areas where dislocation clusters were affecting the material’s performance.
After identifying regions of dislocation clusters, the researchers used electron microscopy and theoretical calculations to understand how these regions formed. They revealed the stress distribution within the crystal lattice and discovered a step-like structure at the boundaries between grains. These structures are thought to induce dislocations during crystal growth. “We discovered a special nanostructure in the crystal that is related to dislocations in the polycrystalline structure,” Professor Usami said.
Impact on crystal growth science
In addition to practical implications, this study may also have important implications for the science of crystal growth and deformation. The Hasen-Alexander-Smino (HAS) model is an influential theoretical framework used to understand the behavior of dislocations in materials. However, Professor Usami believes that he has discovered a dislocation that was missed by the Hasen-Alexander-Kakuno model.
New insights into the arrangement of atoms
Another surprise soon followed, as when the team calculated the arrangement of atoms within these structures, they discovered unexpectedly large tensile bond strains along the edges of the stepped structures that caused the creation of dislocations. .
Usami explains: “As experts who have been doing this research for years, we were surprised and excited to finally see evidence of the presence of dislocations in these structures. This suggests that we can control the formation of
Conclusions and implications for the future
“By extracting and analyzing, nanoscale “By combining experiment, theory, and AI, polycrystalline materials informatics has made it possible for the first time to elucidate phenomena in complex polycrystalline materials,” Usami continued. “This research is expected to shed light on the path towards establishing universal guidelines for high-performance materials and contribute to the creation of innovative polycrystalline materials. It extends beyond batteries to everything from ceramics to solar cells. semiconductor. Polycrystalline materials are widely used in society, and improving their performance has the potential to bring about social change. ”
Reference: “Polycrystalline informatics for polycrystalline silicon to elucidate the microscopic root cause of dislocation generation” Kenta Yamagoe, Yutaka Ohno, Kentaro Kutsukake, Takuto Kojima, Tatsuya Yokoi, Hideto Yoshida, Hiroyuki Tanaka, Liu Kin, Hiroaki Kudo, Noritaka Usa, December 2, 2023 advanced materials.
DOI: 10.1002/adma.202308599
Source: scitechdaily.com
