计算XRD可以很好地将实验与模拟进行对照。 有许多软件可以根据给定的晶体结构给出对应XRD图谱，但对晶体对称性要求高，而且不能对含有较多原子的体系（>10000）进行处理。

This paper presents a novel ion doping method applied in calcium polyphosphate (CPP)-based bioceramic scaffolds substituted by potassium and strontium ions (K/Sr) to form (K/Sr-CPP) scaffolds...

Compute xrd uses analytical approximations of the atomic scattering factors that vary for each atom type (type1 type2 … typeN) and angle of diffraction. The analytic approximation is computed using the formula (Colliex):

The College of Science recently acquired an X-Ray Diffractometer (XRD). The equipment was funded by a DOD grant and the principal investigators are Professors of Chemistry and Biochemistry Chantal Stieber, Kathryn McCulloch, Bohdan Schatschneider, Alex John, and Physics and Astronomy Department Chair, Hector Mireles.

2021年5月1日 · At 375 °C, the intensity of DCPA peaks significantly decreases and a new poorly crystalline phase is observed and attributed to low temperature calcium pyrophosphate (LT-CPP). At this temperature, the presence of the amorphous phase is also observed in XRD pattern.

The XRD pattern for each present material phase is depicted in Figure 2. The implant (CaP prior to implantation) showed a mixture of CaPs: monetite (84%), β-TCP (9%), and β-calcium pyrophosphate...

The catalyst prepared by open air burning (UC), calcinations at 550 °C (C550) and 700 °C (C700) was characterized by powder X-ray diffraction (XRD), fourier transform infrared (FT-IR), field ...

2019年7月28日 · X-ray diffraction (XRD) analyses for the powder sample of [8]CPP nanosheets, which were obtained by freeze-drying from THF solutions at liquid-nitrogen temperature, further confirmed its crystal characteristic (Figure 5 and ).

XRD是（X-ray Diffraction）射线衍射仪的简称。 其基本原理是:当X射线照射所测物质（晶体），相应晶面会产生衍射强度。 随着发射X射线的转轴移动，不同角度的不同晶面会被完全扫描出来。 从而根据布拉格方程2d sinθ=…

Compute xrd uses analytical approximations of the atomic scattering factors that vary for each atom type (type1 type2 ... typeN) and angle of diffraction. The analytic approximation is computed using the formula :ref:` (Colliex) <Colliex>`: