Fig. 12: Inverse design of super hard phases of Carbon (C).
From: A Continuous Action Space Tree search for INverse desiGn (CASTING) framework for materials discovery
a Evolution of the overall objective function with the number of evaluations for the inverse design task. b Three phases of Carbon: Lonsdaleite, diamond, cubic diamond, and a metastable phase, which were sampled during the optimization stages depicted in (a). c Shows the bulk modulus of the sampled configurations and their corresponding energy. d This section provides a zoomed-in view of (c) and displays the two best configurations: cubic diamond (blue) and Lonsdaleite (orange), in terms of the objective, and similar variants of the configurations forming clusters in the representation space.
