In fact for many years, many experimental groups around the world use copper as the first target material in shock compression studies to develop and demonstrate new capabilities - loading conditions, diagnostics, analysis, and modeling - since Cu is believed to be a simple, well-studied material which remains FCC until melting 9. However, it is believed that Cu can only exist in face-centered-cubic (FCC) crystal structure based on which numerous phase diagrams have been prepared and used. Because of the importance and widespread usage of the material, this element has been studied extensively (both experimental 1, 2 and numerical 3, 4, 5, 6, 7, 8) along with different alloys it forms. For these reasons and more, I am beyond grateful to have been a part of this camp, and am looking forward to apply my new skills.Copper is one of the most common elements worldwide.
#X ray diffraction pattern for fcc copper how to#
Wolfram Summer Camp gave me a novel perspective on how to approach all aspects of life, and key insight into how computational thinking can change the world. Wolfram Summer Camp truly gave me an outlet to express my creativity in novel ways, and the two weeks I spent here were invaluable. I would also like to thank the other mentors for their help, and Mohammad Bahrami for his lectures. I would like to thank my mentor, Eryn Gillam, for helping me throughout my project. Wolfram, I certainly have a lot to do this summer! Perhaps the most ambitious of my future plans is doing the inverse problem: predicting the lattice structure from a given XRD pattern. The absolute intensities have little use, as relative intensities are primarily used to analyze these patterns.įor future research, I have many ideas I want to implement. Here is a comparison of the predicted XRD pattern vs the real diffracted pattern for a Copper FCC structure: $t$ is the variable to be plotted against. The first step is to use these planes to generate the Bragg peak positions: These numbers are Miller indices, which are descriptions of the planes in a unit cell that are producing the peaks.
You might be wondering what the numbers on the top of the peaks mean. This summer, as part of the Wolfram High School Summer Camp, I implemented a framework for predicting these fingerprints for various cubic lattice structures. However, predicting these fingerprints given little experimental data is a mathematically involved procedure.
The first image in this post is a comparison of experimental and predicted results for a Silver crystal structure. Here is a sample for a face-centered cubic copper lattice structure: This fingerprint is characterized by peaks with different intensities at different angles. Each lattice structure has its own "XRD fingerprint" which keys scientists in to its chemical makeup. XRD is a powerful technique employed in various domains of science to determine the chemical makeup and thereby physical properties of various structures. A Computational Method to Predict X Ray Diffraction (XRD) PatternsĮver wondered how DNA's double helix structure was discovered? How drugs are investigated? Well, welcome to the world of X-ray diffraction! 13 Nobel prizes were awarded for developments involving this old but effective technique, in fields ranging from physics to medicine.
0 kommentar(er)
