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Core/shell Printing Scaffolds For Tissue Engineering Of Tubular Structures

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Published on: September 27, 2019

Disentangling structural information from core-level excitation spectra.

Johannes Niskanen¹, Christoph J Sahle², Keith Gilmore²

¹Helmholtz Zentrum Berlin für Materialien und Energie, Institute For Methods And Instrumentation For Synchrotron Radiation Research, Albert-Einstein-Strasse 15, D-12489 Berlin, Germany.

Physical Review. E

|January 20, 2018

Summary

Analyzing core-level spectra in liquids is challenging. This study introduces computational methods to link structural parameters and spectral intensities, successfully applied to liquid water

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Area of Science:

Physical Chemistry
Materials Science
Computational Spectroscopy

Background:

Interpreting core-level spectra of liquids is complex due to diverse local atomic environments.
Understanding these spectra is crucial for characterizing liquid matter.

Purpose of the Study:

To develop and validate computational methods for analyzing core-level spectra in liquids.
To establish structure-spectral relationships based on local atomic configurations.

Main Methods:

Computational investigation of core-level spectra.
Correlating local structural parameters with spectral intensities.
Utilizing the oxygen K-edge excitation spectrum of liquid water as a model system.

Main Results:

Demonstrated that spectral features are functions of local atomic configurations.
Identified key correlations between structural parameters and spectral intensities.
Successfully applied the method to ice, liquid water, and supercritical water.

Conclusions:

The developed computational approach effectively elucidates structure-spectral relationships in liquids.
This method provides a pathway to better understand the spectral properties of various liquid phases.
Offers insights into the dynamics and structure of water across different states.