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Updated: Mar 8, 2026

Time-resolved ElectroSpray Ionization Hydrogen-deuterium Exchange Mass Spectrometry for Studying Protein Structure and Dynamics
Published on: April 17, 2017
High-Precision Shock Wave Measurements of Deuterium: Evaluation of Exchange-Correlation Functionals at the
M D Knudson1,2, M P Desjarlais1
1Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.
Abstract:
We present shock compression data for deuterium through the molecular-to-atomic transition along the principal Hugoniot with unprecedented precision, enabling discrimination between subtle differences in first-principle theoretical predictions. These observations, supported through reshock measurements, provide tight constraints in a regime directly relevant to planetary interiors. Our findings are in best agreement with density functional theory; however, no one exchange-correlation functional describes well both the onset of dissociation and the maximum compression along the Hugoniot.
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