Figure 2
From: Accurate thermal conductivities from optimally short molecular dynamics simulations
Distributions of the logarithm of the thermal conductivities, \(\mathrm{log}(\kappa )\), estimated over multiple MD segments (\(100\,{\rm{ps}}\) for Ar, H2O, and a-SiO2, and \(500\,{\rm{ps}}\) for MgO) extracted from a \(50\,{\rm{ns}}\) long trajectory. The reported data are referred to \({\kappa }_{{\rm{ref}}}\), which is the value obtained from the direct integration of the current autocorrelation function in Eq. (1), combined with standard block analysis over the \(50\,{\rm{ns}}\) trajectory, and represented by the vertical gray bands. The Gaussian curves represent the distributions predicted by the theory, centered at the sample mean. Remember that the absolute error on \(\mathrm{log}(\kappa )\) is the relative error on \(\kappa \).
