Discipline Guide10 min read

Materials Science Data Visualization Guide

By Francesco Villasmunta
Materials Science Data Visualization Guide

Every materials scientist knows the drill: run 50 XRD scans, export data to Excel, spend hours manually stacking patterns and aligning peaks. Then a colleague asks you to replot with different color schemes for the manuscript revision. There's a better way to handle characterization data.

This guide explores how to create publication-quality figures for the most common materials characterization techniques using modern tools.


1. X-Ray Diffraction (XRD) Patterns

The challenge with XRD data is often comparing multiple samples (e.g., doped vs. undoped) without the plot becoming a messy "spaghetti chart."

Best Practice: The Stacked Plot (Waterfall)

Instead of plotting all lines on top of each other, add a vertical offset to each scan. This allows clear visualization of peak shifts and new phase formation.

Prompt: "Create a stacked line plot of Intensity vs 2-Theta for all 4 samples. Offset each sample by 1000 units on the Y-axis. Label peaks at 32.5 and 34.8 degrees."

2. Particle Size Distribution

Whether from DLS or image analysis, particle size data is best shown as a combination of a histogram and a cumulative distribution curve.

Best Practice: Dual-Axis Plot

Plot the frequency histogram on the left Y-axis and the cumulative percentage curve (S-curve) on the right Y-axis.

→ Try plotting this with Plotivy

3. Thermal Analysis (TGA/DSC)

Thermogravimetric Analysis (TGA) and Differential Scanning Calorimetry (DSC) often need to be plotted together to correlate weight loss with thermal events.

Best Practice: Stacked Multi-Panel Figure

Align the X-axis (Temperature) for both plots. Place TGA on top and DSC on the bottom. This makes it easy to see that a crystallization peak aligns with a specific mass change.

Stop wasting hours on XRD and TGA plots. Describe what you need and get publication-ready figures with one prompt.

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Spectroscopy (UV-Vis, FTIR)

Always check if you should plot Wavelength (nm) or Wavenumber (cm⁻¹). For FTIR, reverse the X-axis so high wavenumbers are on the left.

Mechanical Testing (Stress-Strain)

Ensure units are consistent (MPa vs Pa). Mark the yield point and ultimate tensile strength clearly with annotations.

Automating Materials Workflows

Materials scientists often run the same characterization on dozens of samples. Plotivy allows you to save your "XRD Stacked Plot" or "TGA/DSC Layout" as a template.

Next time you have new data, just upload it and apply the template. What used to take hours in Origin now takes seconds.

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Tags:#materials science#XRD#thermal analysis#data visualization#scientific figures