Hydrogen bond symmetrisation in D2O ice observed by neutron diffraction
Hydrogen bond symmetrisation is the phenomenon where a hydrogen atom is located at the
centre of a hydrogen bond. Theoretical studies predict that hydrogen bonds in ice VII …
centre of a hydrogen bond. Theoretical studies predict that hydrogen bonds in ice VII …
Structural independence of hydrogen-bond symmetrisation dynamics at extreme pressure conditions
The experimental study of hydrogen-bonds and their symmetrization under extreme
conditions is predominantly driven by diffraction methods, despite challenges of localising or …
conditions is predominantly driven by diffraction methods, despite challenges of localising or …
Bulk modulus of across the ice VII–ice X transition measured by time-resolved x-ray diffraction in dynamic diamond anvil cell experiments
ASJ Méndez, F Trybel, RJ Husband… - Physical Review B, 2021 - APS
We have studied the H 2 O ice VII–ice X phase transition at room temperature by performing
three quasicontinuous synchrotron time-resolved x-ray-diffraction experiments in a dynamic …
three quasicontinuous synchrotron time-resolved x-ray-diffraction experiments in a dynamic …
[HTML][HTML] Basic Theory of Ice Crystallization Based on Water Molecular Structure and Ice Structure
O Zheng, L Zhang, Q Sun, S Liu - Foods, 2024 - mdpi.com
Freezing storage is the most common method of food preservation and the formation of ice
crystals during freezing has an important impact on food quality. The water molecular …
crystals during freezing has an important impact on food quality. The water molecular …
Pressure-driven symmetry transitions in dense ice
X-ray diffraction and Raman spectroscopy of H 2 O (ice) structures are measured under
static compression in combination with grain normalizing heat treatment via direct laser …
static compression in combination with grain normalizing heat treatment via direct laser …
Superionicity, disorder, and bandgap closure in dense hydrogen chloride
Hydrogen bond networks play a crucial role in biomolecules and molecular materials such
as ices. How these networks react to pressure directs their properties at extreme conditions …
as ices. How these networks react to pressure directs their properties at extreme conditions …
Absence of proton tunneling during the hydrogen-bond symmetrization in
δ-AlOOH is of significant crystallochemical interest due to a subtle structural transition near
10 GPa from a P 2 1 nm to a P nnm structure, the nature and origin of hydrogen disorder, the …
10 GPa from a P 2 1 nm to a P nnm structure, the nature and origin of hydrogen disorder, the …
Influence of temperature on the process of hydrogen bond symmetrization in ɛ-FeOOH
ZS Lei, XW Sun, XX Wang, ZJ Liu, T Song, JH Tian - Physical Review B, 2023 - APS
Investigating hydrogen bond symmetrization in hydroxyl compounds necessitates the
precise determination of crystal microstructures. Nonetheless, H atoms are nearly …
precise determination of crystal microstructures. Nonetheless, H atoms are nearly …
Thermodynamics of high-pressure ice phases explored with atomistic simulations
A Reinhardt, M Bethkenhagen, F Coppari… - Nature …, 2022 - nature.com
Most experimentally known high-pressure ice phases have a body-centred cubic (bcc)
oxygen lattice. Our large-scale molecular-dynamics simulations with a machine-learning …
oxygen lattice. Our large-scale molecular-dynamics simulations with a machine-learning …
Estimates of Quantum Tunneling Effects for Hydrogen Diffusion in PuO2
We detail the estimation of activation energies and quantum nuclear vibrational tunneling
effects for hydrogen diffusion in PuO 2 based on Density Functional Theory calculations and …
effects for hydrogen diffusion in PuO 2 based on Density Functional Theory calculations and …