The hydrogen mean force from experimental neutron Compton profiles is derived using deep inelastic neutron scattering on amorphous and polycrystalline ice. The formalism of mean force is extended to probe its sensitivity to anharmonicity in the hydrogen-nucleus effective potential. The shape of the mean force for amorphous and polycrystalline ice is primarily determined by the anisotropy of the underlying quasi-harmonic effective potential. The data from amorphous ice show an additional curvature reflecting the more pronounced anharmonicity of the effective potential with respect to that of ice Ih.

Parmentier, A., Andreani, C., Romanelli, G., Shephard J., J., Salzmann C., G., & Senesi, R. (2018). Hydrogen mean force and anharmonicity in polycrystalline and amorphous ice. FRONTIERS OF PHYSICS, 13(1), 136101 [10.1007/s11467-017-0724-4].

Hydrogen mean force and anharmonicity in polycrystalline and amorphous ice

PARMENTIER, ALEXANDRA
Investigation
;
ANDREANI, CARLA;ROMANELLI, GIOVANNI;SENESI, ROBERTO
Supervision
2018-02

Abstract

The hydrogen mean force from experimental neutron Compton profiles is derived using deep inelastic neutron scattering on amorphous and polycrystalline ice. The formalism of mean force is extended to probe its sensitivity to anharmonicity in the hydrogen-nucleus effective potential. The shape of the mean force for amorphous and polycrystalline ice is primarily determined by the anisotropy of the underlying quasi-harmonic effective potential. The data from amorphous ice show an additional curvature reflecting the more pronounced anharmonicity of the effective potential with respect to that of ice Ih.
Pubblicato
Rilevanza internazionale
Articolo
Esperti anonimi
Settore FIS/07 - Fisica Applicata(Beni Culturali, Ambientali, Biol.e Medicin)
English
Con Impact Factor ISI
potential of mean force, neutron Compton profile, nuclear quantum effects, path integral representation, anharmonicity
This work was supported within the CNR- STFC Agreement 2014-2020 (No. 3420 2014-2020) concerning col- laboration in scientific research at ISIS Spallation Neutron Source.
Parmentier, A., Andreani, C., Romanelli, G., Shephard J., J., Salzmann C., G., & Senesi, R. (2018). Hydrogen mean force and anharmonicity in polycrystalline and amorphous ice. FRONTIERS OF PHYSICS, 13(1), 136101 [10.1007/s11467-017-0724-4].
Parmentier, A; Andreani, C; Romanelli, G; Shephard J., J; Salzmann C., G; Senesi, R
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2108/189384
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