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Updated: May 9, 2026

15N CPMG Relaxation Dispersion for the Investigation of Protein Conformational Dynamics on the µs-ms Timescale
Published on: April 19, 2021
Energy and shape relaxation in binary atomic systems with realistic quantum cross sections.
Reinel Sospedra-Alfonso1, Bernie D Shizgal
1Institute of Applied Mathematics, University of British Columbia, Vancouver, British Columbia V6T 1Z1, Canada.
This study investigates how energetic particles in a background gas reach equilibrium. Using advanced methods, it reveals that momentum transfer cross sections predict relaxation times for both simple and complex scattering scenarios.
Area of Science:
- Kinetic Theory
- Statistical Mechanics
- Quantum Scattering
Background:
- Studying the time evolution of non-equilibrium particle distributions is crucial for understanding gas dynamics.
- Energetic particles in a thermal equilibrium background gas provide a model system for relaxation processes.
Purpose of the Study:
- To analyze the time evolution of non-equilibrium distribution functions for test particles in a background gas.
- To determine relaxation times to equilibrium using realistic quantum mechanical cross sections.
Main Methods:
- Solving the spatially homogeneous linear Boltzmann equation.
- Employing a moment method with Sonine polynomial expansion.
- Utilizing direct simulation Monte Carlo (DSMC) methods.
- Incorporating quantum mechanical differential cross sections.
Main Results:
- The moment method yields approximate eigenvalues and eigenfunctions of the Boltzmann collision operator.
- Reciprocals of eigenvalues quantify relaxation times to equilibrium.
- A single time scale, determined by the momentum transfer cross section, characterizes energy relaxation and distribution shape for hard sphere interactions.
- This single time scale also applies to realistic quantum cross sections dominated by small-angle scattering.
Conclusions:
- The momentum transfer cross section is a key parameter for predicting relaxation times in dilute gas systems.
- The findings are applicable to systems like energetic N in He and Xe in He.
- Both analytical (moment method) and numerical (DSMC) approaches validate the theoretical framework.
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