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Ab Initio Values of the Thermophysical Properties of Helium as Standards

机译:氦热物理性质的从头算值作为标准

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摘要

Recent quantum mechanical calculations of the interaction energy of pairs of helium atoms are accurate and some include reliable estimates of their uncertainty. We combined these ab initio results with earlier published results to obtain a helium-helium interatomic potential that includes relativistic retardation effects over all ranges of interaction. From this potential, we calculated the thermophysical properties of helium, i.e., the second virial coefficients, the dilute-gas viscosities, and the dilute-gas thermal conductivities of 3He, 4He, and their equimolar mixture from 1 K to 104 K. We also calculated the diffusion and thermal diffusion coefficients of mixtures of 3He and 4He. For the pure fluids, the uncertainties of the calculated values are dominated by the uncertainties of the potential; for the mixtures, the uncertainties of the transport properties also include contributions from approximations in the transport theory. In all cases, the uncertainties are smaller than the corresponding experimental uncertainties; therefore, we recommend the ab initio results be used as standards for calibrating instruments relying on these thermophysical properties. We present the calculated thermophysical properties in easy-to-use tabular form.
机译:最近对氦原子对的相互作用能的量子力学计算是准确的,其中一些包括对不确定性的可靠估计。我们将这些从头算的结果与较早发表的结果相结合,获得了氦-氦原子间的电势,其中包括在所有相互作用范围内的相对论性延迟效应。从这个电位,我们计算出氦的热物理性质,即 3 He, 4 He及其在1 K至10 4 K之间的等摩尔混合物。我们还计算了 3 He和 4 他。对于纯流体,计算值的不确定性主要由电势的不确定性决定。对于混合物,传输特性的不确定性还包括传输理论中近似值的贡献。在所有情况下,不确定度均小于相应的实验不确定度;因此,我们建议从头开始的结果可以用作依据这些热物理特性校准仪器的标准。我们以易于使用的表格形式显示了计算的热物理性质。

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