ABSTRACT Quantitative single crystal neutron-diffraction in diamond anvil cells has so far been limited by the neutron flux available at the various neutron sources. As a result, highly precise measurements of the exact position of light elements have not been possible preventing, for example, structural studies of hydrogen and hydrogen bonds under pressure. Here we report experiments carried out on SNAP at the Spallation Neutron Source (ORNL, TN, USA) to explore the possibility and current limits of such studies. Furthermore, we benchmarked the obtained data quality with reference experiments carried out on TOPAZ, a dedicated single-crystal instrument. We show that measuring single-crystal diffraction intensities on SNAP is possible to such a precision that we are able to resolve the hydrogen bonds in potassium dideuterium phosphate (DKDP) as well as in ice VI.

中文翻译：

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关于 DAC 中的单晶中子衍射：SNAP 和 TOPAZ 上轻元素的定量结构精修

摘要 迄今为止，金刚石砧座中的定量单晶中子衍射受到各种中子源可用中子通量的限制。因此，不可能对轻元素的确切位置进行高精度测量，例如在压力下进行氢和氢键的结构研究。在这里，我们报告了在散裂中子源（ORNL，TN，USA）上对 SNAP 进行的实验，以探索此类研究的可能性和当前限制。此外，我们通过在专用单晶仪器 TOPAZ 上进行的参考实验对获得的数据质量进行了基准测试。