fig2

A deep neural network potential model for transition metal diborides

Figure 2. Comparison of equations of state of TMB2 (TM = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W) predicted by the DP model (dash line) with the DFT calculations (points). TMB2: Transition metal diboride; DP: Deep Potential; DFT: density functional theory.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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