Supercomputer models graphene-water interaction

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Researchers at the New Jersey Institute of Technology (NJIT) used the Comet supercomputer at the San Diego Supercomputer Center (SDSC), located at the University of California San Diego, to create detailed simulations of graphene-water interactions, to determine if graphene is a good candidate for delivering medicine to a specific part of the body.

Cross-sectional view of seven graphene flakes in a water droplet image

A simulation done using SDSC’s Comet supercomputer shows a cross-sectional view of seven graphene flakes in a water droplet, and that the multi-layered graphene eventually merges together. Credit: Solanky et al.

While graphene has been extensively studied for many years in water-based solutions, especially in the biomedical sciences field, researchers say they still need to better predict the surface traits of such two-dimensional materials when exposed to water or liquids containing water.

The findings describe in detail how graphene interacts with a droplet of water. “One of the critical issues is how the graphene flakes behave when they are placed inside a water droplet, said Mechanical and Industrial Engineering Professor Dibakar Datta. “Doing experiments to understand the graphene-water interaction is expensive and requires a great deal of labor, so to meet this challenge, we performed computer simulations to gain fundamental insight.” Read the full article here.

About the National Graphene Association (NGA)

The National Graphene Association is the main organization and body in the U.S. advocating and promoting the commercialization of graphene. NGA is focused on addressing critical issues such as policy and standards development that will result in effective integration of graphene and graphene-based materials globally. NGA brings together current and future graphene stakeholders — entrepreneurs, companies, researchers, developers and suppliers, investors, venture capitalists, and government agencies — to drive innovation, and to promote and facilitate the commercialization of graphene products and technologies.

 

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