Related Experiment Video
Updated: Jun 8, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Communication: Mapping water collisions for interstellar space conditions.
C-H Yang1, G Sarma, J J ter Meulen
1Department of Molecular and Laser Physics, IMM, Radboud University, Nijmegen, The Netherlands.
This study validates theoretical models for water collisions with helium and hydrogen, crucial for astrophysical calculations. Experimental results closely match theoretical predictions, confirming model accuracy for energy transfer rates.
Area of Science:
- Physical Chemistry
- Astrophysics
- Quantum Scattering Theory
Background:
- Accurate calculation of energy transfer rates in molecular collisions is vital for astrophysical modeling.
- Potential energy surfaces (PES) are critical for theoretical simulations of these collisions.
- Water (H2O) plays a significant role in interstellar chemistry and energy balance.
Purpose of the Study:
- To experimentally validate the accuracy of state-of-the-art potential energy surfaces for H2O-He and H2O-H2 collisions.
- To assess the reliability of theoretical calculations for energy-changing cross sections relevant to astrophysical conditions.
- To provide a stringent test of quantum scattering calculations against experimental data.
Main Methods:
- Experimental measurement of fully state-to-state differential cross sections for H2O-He and H2O-H2 collisions.
- Collision energies tested were 429 cm⁻¹ for H2O-He and 575 cm⁻¹ for H2O-H2.
- Comparison of experimental cross sections with theoretical results derived from advanced PES and quantum scattering computations.
Main Results:
- Excellent agreement was observed between experimental and theoretical state-to-state differential cross sections for most cases.
- The study confirms the high quality of the employed potential energy surfaces for H2O-He and H2O-H2 systems.
- The findings demonstrate the validity of theoretical approaches for predicting energy transfer rates in these astrophysically relevant collisions.
Conclusions:
- The study successfully validates theoretical models used in astrophysical calculations concerning water molecule collisions.
- Experimental data strongly supports the accuracy of current quantum scattering calculations and potential energy surfaces.
- This work enhances confidence in using theoretical methods to interpret and predict conditions in astrophysical environments.
Related Concept Videos
States of Water
Water freezes when the intermolecular forces are greater than the kinetic energy. Unlike most other substances, water is less dense in its solid state than in its liquid state. This is because each water molecule can form...
Uniform Depth Channel Flow: Problem Solving
Elastic Collisions: Case Study
Newtonian Fluid: Problem Solving
A velocity gradient forms within the fluid when a Newtonian fluid is placed between two parallel plates, with...
Buoyancy and Stability for Submerged and Floating Bodies
Body Water Content and Fluid Compartments

