Anisotropic thermal conductivity in Li2TiO3 ceramic breeder materials

Thermal conductivity of non-stoichiometric Li2TiO3

“…In figure 3 the extrapolated calculated thermal conductivity for both the Li-rich and Li-poor cases are shown. We see the same anisotropy in the thermal conductivity in the three spatial directions, as seen in previous work [26]. The thermal conductivity along z is notably lower than that in x and y.…”

“…This has the effect of reducing the average thermal conductivity (plotted as a dotted line) downwards. Figure 4 shows the average thermal conductivities of the Li-rich and Li-poor cases are compared to the perfect crystal [26]. From this figure we see that the introduction of defects reduces the thermal conductivity at low temperatures (< 500 K), although this reduction is modest.…”

“…The average temperature gradient over these last 100,000 timesteps is then fitted to a straight line using the method of least squares from which the thermal conductivity is finally calculated. This is the same procedure as followed in previous work calculating thermal conductivity of perfect Li 2 TiO 3 [26].…”

“…This type of information can be determined with an atomic resolution using atomistic simulation techniques, like molecular dynamics. Classical MD has already been employed to demonstrate the highly anisotropic thermal conductivity in Li 2 TiO 3 [26]. Therefore the aim of this work is to use MD to understand how the introduction of non-stoichiometry changes the thermal conductivity of bulk Li 2 TiO 3 .…”