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Peripheral thermosensation is the perception of external temperature. A change in temperature (on the surface of the skin and other tissues) is detected by a family of temperature-sensitive ion channels called Transient Receptor Potential, or TRP, receptors. These receptors are located on free nerve endings. Those detecting cold temperatures are closer to the surface of the skin than the nerve endings detecting warmth. These thermoTRP channels, while temperature selective, have relatively...
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TDS Simulator: A MATLAB App to model temperature-programmed hydrogen desorption.

Enrique García-Macías1,2, Zachary D Harris3, Emilio Martínez-Pañeda4

  • 1Department of Civil and Environmental Engineering, Imperial College London, London SW7 2AZ, UK.

International Journal of Hydrogen Energy
|March 16, 2026
PubMed
Summary
This summary is machine-generated.

TDS Simulator is a new MATLAB tool for modeling thermal desorption spectroscopy (TDS) experiments. It simulates TDS curves and calibrates experimental data to quantify hydrogen-material interactions, aiding material development.

Keywords:
DiffusionHydrogenMATLABThermal desorption spectroscopyTrapping

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Area of Science:

  • Materials Science
  • Computational Modeling
  • Surface Science

Background:

  • Thermal Desorption Spectroscopy (TDS) is crucial for understanding hydrogen-material interactions.
  • Interpreting TDS experimental data requires sophisticated post-processing tools.
  • Existing methods lack comprehensive simulation and inverse calibration capabilities for hydrogen transport models.

Purpose of the Study:

  • Introduce TDS Simulator, a novel software tool for simulating and analyzing TDS experiments.
  • Provide a user-friendly platform for modeling hydrogen diffusion and trapping in materials.
  • Enable automated characterization of hydrogen trap properties from experimental data.

Main Methods:

  • Developed a MATLAB App implementing primary hydrogen diffusion and trapping models (Oriani, McNabb-Foster).
  • Integrated functionality for simulating TDS curves with arbitrary material and trap parameters.
  • Incorporated an inverse calibration tool for automated determination of trap density and binding energy.

Main Results:

  • TDS Simulator successfully models TDS curves and validates against literature data.
  • The software provides automatic estimation of hydrogen trap characteristics from experimental data.
  • Extensive validation confirms the accuracy and reliability of the simulation outputs.

Conclusions:

  • TDS Simulator offers an efficient and straightforward method for characterizing hydrogen-material interactions.
  • The tool facilitates material development for applications like nuclear fusion and the hydrogen economy.
  • Freely available MATLAB App with a GUI promotes accessibility and widespread community use.