Longitudinal sound velocities, elastic anisotropy, and phase transition of high-pressure cubic H2O ice to 82 GPa

被引:22
|
作者
Kuriakose, Maju [1 ]
Raetz, Samuel [1 ]
Hu, Qing Miao [2 ]
Nikitin, Sergey M. [1 ]
Chigarev, Nikolay [1 ]
Tournat, Vincent [1 ]
Bulou, Alain [3 ]
Lomonosov, Alexey [4 ]
Djemia, Philippe [5 ]
Gusev, Vitalyi E. [1 ]
Zerr, Andreas [5 ]
机构
[1] Univ Maine, LAUM, UMR CNRS 6613, Ave Olivier Messiaen, F-72085 Le Mans, France
[2] Chinese Acad Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China
[3] Univ Maine, IMMM, UMR CNRS 6283, Ave Olivier Messiaen, F-72085 Le Mans, France
[4] Russian Acad Sci, Prokhorov Gen Phys Inst, Moscow 119991, Russia
[5] Univ Paris 13, LSPM, UPR CNRS 3407, Ave JB Clement, F-93430 Villetaneuse, France
关键词
INITIO MOLECULAR-DYNAMICS; HYDROGEN-BONDS; VII; DIFFRACTION; DOMAIN; SCALE;
D O I
10.1103/PhysRevB.96.134122
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Water ice is a molecular solid whose behavior under compression reveals the interplay of covalent bonding in molecules and forces acting between them. This interplay determines high-pressure phase transitions, the elastic and plastic behavior of H2O ice, which are the properties needed for modeling the convection and internal structure of the giant planets and moons of the solar system as well as H2O-rich exoplanets. We investigated experimentally and theoretically elastic properties and phase transitions of cubic H2O ice at room temperature and high pressures between 10 and 82 GPa. The time-domain Brillouin scattering (TDBS) technique was used to measure longitudinal sound velocities (V-L) in polycrystalline ice samples compressed in a diamond anvil cell. The high spatial resolution of the TDBS technique revealed variations of V-L caused by elastic anisotropy, allowing us to reliably determine the fastest and the slowest sound velocity in a single crystal of cubic H2O ice and thus to evaluate existing equations of state. Pressure dependencies of the single-crystal elastic moduli C-ij (P) of cubic H2O ice to 82 GPa have been obtained which indicate its hardness and brittleness. These results were compared with ab initio calculations. It is suggested that the transition from molecular ice VII to ionic ice X occurs at much higher pressures than proposed earlier, probably above 80 GPa.
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页数:13
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