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Configurational energetics in ice ih probed by compton scattering.
K Nygård1, M Hakala, S Manninen
1Division of X-Ray Physics, Department of Physical Sciences, FI-00014, University of Helsinki, Finland. kim.nygard@psi.ch
Physical Review Letters
|February 1, 2008
Summary
High-accuracy Compton scattering reveals temperature effects on ice electron momentum. This study demonstrates a new method for measuring ice
Area of Science:
- Condensed Matter Physics
- Materials Science
- Physical Chemistry
Background:
- Understanding temperature-dependent properties of ice is crucial for various scientific disciplines.
- Accurate experimental data on ice thermodynamics is needed to validate computational models.
Purpose of the Study:
- To investigate temperature-induced changes in the ground-state electron momentum density of polycrystalline ice Ih.
- To demonstrate the feasibility of Compton scattering for determining configurational enthalpies and heat capacities of ice.
- To provide experimental data for evaluating molecular-dynamics simulations.
Main Methods:
- High-accuracy Compton scattering experiments utilizing synchrotron radiation.
- Analysis of electron momentum density to derive thermodynamic properties.
Main Results:
- Configurational enthalpy of ice Ih was measured with an accuracy of 1.5 meV.
- Configurational enthalpy shows a linear dependence on temperature above 100 K.
- Configurational heat capacity was found to be constant (0.44+/-0.11 J g-1 K-1) above 100 K.
Conclusions:
- Compton scattering is a powerful technique for experimentally determining thermodynamic properties of ice.
- The obtained experimental data provides a benchmark for molecular-dynamics simulations of ice.
- The study offers new insights into the behavior of ice under varying temperatures.
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