Scientists use Frontier supercomputer to simulate crystal stronger than diamond

Previous attempts to make BC8 in the lab have all failed. With Frontier’s help, the researchers hope to finally be able to make it on Earth.A collaboration between researchers at the University of South Florida and the Lawrence Livermore National Laboratory deployed the Frontier exascale supercomputer to simulate the creation of an eight-atom body-centered cubic , a crystalline high-pressure phase of carbon, estimated to be stronger than diamond.

According to Jon Eggert, the Chief Scientist in the High Energy Density Sciences section at LLNL, diamonds are so strong because of their tetrahedral shape. In this configuration, the four nearest carbon atoms are aligned to satisfy the four valence electrons in the outermost shell of the carbon atom.

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