The thermal conductivities of 40 pyrochlores with the composition A_2B_2O_7 (A = La, Pr, Nd, Sm, Eu, Gd, Y, Er or Lu; B = Ti, Mo, Sn, Zr or Pb) are predicted by molecular dynamics simulations. The trends in the behaviour can be fully understood in terms of the differences in the density and the speed of sound in the materials. Increased structural disorder, arising from O diffusion in most of the Pb-containing systems, leads to a further reduction in the thermal conductivity. We suggest strategies for lowering the thermal conductivity even further.
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机译：通过分子动力学模拟预测了组成为A_2B_2O_7（A = La，Pr，Nd，Sm，Eu，Gd，Y，Er或Lu; B = Ti，Mo，Sn，Zr或Pb）的40种烧绿石的热导率。根据材料中声音密度和速度的差异，可以完全理解行为的趋势。由于O在大多数含Pb的系统中扩散而引起的结构无序性增加，导致热导率进一步降低。我们建议进一步降低热导率的策略。
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