Fig. 4: Nearest-neighbor distribution plots.
From: Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom
a Gauss-broadened first and second nearest-neighbor (1NN and 2NN) distribution function ρ (broadening parameter 0.04 Å−1) for Nb at 2500 K and the corresponding volume, with and without the electronic temperature Tel, calculated using the eMTP (this work) and the classical MTP1. The 1NN and 2NN distribution functions are plotted as a function of the neighbor distance d around the respective equilibrium distance deq. The corresponding 2D distribution histograms are shown in (b–e).
