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New framework applies machine learning to atomistic modeling

 E-Mail Northwestern University researchers have developed a new framework using machine learning that improves the accuracy of interatomic potentials -- the guiding rules describing how atoms interact -- in new materials design. The findings could lead to more accurate predictions of how new materials transfer heat, deform, and fail at the atomic scale. Designing new nanomaterials is an important aspect of developing next-generation devices used in electronics, sensors, energy harvesting and...
Jose Mendoza Xu Zhang Nancyj Farley Horacio Espinosa Jeffreyt Paci Hoang Nguyen

Solving the plastic shortage with a new chemical catalyst

In a year that has already battered manufacturing supply chains, yet another shortage is complicating manufacturers’ and consumers’ lives: plastics, and the food packaging, automotive components, clothing, medical and lab equipment and countless other items that rely on them. But a new chemical catalyst developed at the University of Michigan could enable the production of more of the feedstock for the world’s second-most widely used plastic. The feedstock, propylene, is used to make the ...
United States Valentina Omoze Igenegbai James Wortman Rawan Almallahi Ali Hussain Motagamwala Suljo Linic
Source: umich.edu

Defining Hund Physics Landscape of Two-Orbital Systems

Korea Advanced Institute of Science and Technology Researchers identify exotic metals in unexpected quantum systems Figure: Phase diagram of two-orbital systems. Various metals emerge depending on the values of electron interactions denoted by U (x-axis) and Hund’s coupling J/U (y-axis). Electrons are ubiquitous among atoms, subatomic tokens of energy that can independently change how a system behaves—but they also can change each other. An international research collaboration found that co...
United States South Korea Myung Joon Han Sangkook Choi Siheon Ryee Us Department Of Energy

Broadband infrared photodetection using a narrow bandgap conjugated polymer

Photodetection spanning the short-, mid-, and long-wave infrared (SWIR-LWIR) underpins modern science and technology. Devices using state-of-the-art narrow bandgap semiconductors require complex manufacturing, high costs, and cooling requirements that remain prohibitive for many applications. We report high-performance infrared photodetection from a donor-acceptor conjugated polymer with broadband SWIR-LWIR operation. Electronic correlations within the π-conjugated backbone promote a high-spin ...
Stanford Research Systems Santa Barbara Infrared Inc Materials Chemistry Program University Of Southern Mississippi National Science Foundation Us Department Of Energy

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