2019年5月8日 · The new ice (ice XVIII) is therefore very likely to be superionic and the XRD data provide direct experimental evidence for a crystalline sublattice formed by the oxygen atoms in superionic...

2024年1月30日 · We reveal that nanoscale ice crystals exhibit polymorph-dependent growth kinetics, while hetero-crystalline ice exhibits anisotropic growth, with accelerated growth occurring at the prismatic...

2012年1月9日 · At ambient conditions, ice is considered to exist in two crystalline forms: stable hexagonal ice and metastable cubic ice. Using X-ray diffraction data and Monte Carlo simulations, we show that ice that crystallizes homogeneously from supercooled water is …

Accurate determination of ice structures is performed mostly using neutron diffraction because hydrogen atoms diffract neutrons more strongly than X-rays. However, X-ray diffraction (XRD) is more readily available, uses smaller samples and requires shorter measurement times.

2023年8月9日 · Using intense x-ray diffraction from PAL-XFEL, we could observe the structure of micrometer-sized vapor-deposited ice below 150 K with a thickness of 2–50 μ m grown in an ultrahigh vacuum chamber. The structure of the ice grown comprises cubic and hexagonal sequences that are randomly arranged to produce a stacking-disordered ice.

Here we explore using wide angle X-ray scattering (WAXS/X-ray powder diffraction (XRD)) to interrogate 100's of ice crystals in 3-dimensions as a function of time.

Using X-ray diffraction data and Monte Carlo simulations, we show that ice that crystallizes homogeneously from supercooled water is neither of these phases. The resulting ice is disordered in one dimension and therefore possesses neither cubic nor hexagonal symmetry and is instead composed of randomly stacked layers of cubic and hexagonal ...

2020年4月8日 · Here we explore using wide angle X-ray scattering (WAXS/X-ray powder diffraction (XRD)) to interrogate 100's of ice crystals in 3-dimensions as a function of time. Due to the random organization of the ice crystals in the frozen sample, the number of orientations measured by XRD is proportional to the number of ice crystals, which can be ...

2021年10月14日 · Recent dynamic compression X-ray diffraction (XRD) experiments between 160 and 420 GPa report a transformation from a bcc ice X to an fcc superionic ice 33. Finally, recent static experiments...

这篇文献里详细说明了如何得到不同约束条件下冰的结构, 并给出了几个常用Ih结构的坐标文件, 用于快速搭建冰的模型。这些模型都是正交晶系, 使用方便。 2. V. Buch, P. Sandler and J. Sadlej, Simulations of H2O Solid, Liquid, and Clusters, with an Emphasis on Ferroelectric Ordering Transition in Hexagonal Ice. 该文献给出了一种创建冰模型的MC方法, 比较简单, 能用于创建任意大小的冰模型,可用于编程使用。 p s:需要文中冰Ih及Ic的结构ci f文件的同学请咨询客服.