2) Variety of H sublattices—each O sublattice has pairs of hydrogen disorder–order configurations (i.e., ices Ih–XI, III–IX, V–XIII, VI–XV, VII–VIII, and XII– XIV) caused by subtle reduction of enthalpy and entropy for ordering or gain for disordering. Consequently, most ice...
Recently, it has been shown that the most stable high-pressure ice phase, ice VII, can accommodate signifi- cant amounts of Li+ and Cl− ions, if prepared by pressure-induced crystallisation of the glassy solution9. In fact, LiisniBcaornm∙RapHrrr2eoOswseecdaosbnilecyleofnowtrrm1a0tig0...
To get a ice V lattice of different hydrogen order in CIF format, use-soption to specify the random seed. genice2 5 -s 1024 --format cif > 5-1024.cif To obtain an ice VI lattice with different density and with TIP4P water model in gromacs format, use--dens xoption to specify the...
Conversely, the ice-VIII to proton-disordered ice-VII TpChafoser when P is increased from 1 to 50 GPa10–12. A molecular-dynamics (MD) study of a nanowire cutting through ice suggests that the transition mode and the cutting rate depend on the wetting properties of the wire - ...
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To get a ice V lattice of different hydrogen order in CIF format, use-soption to specify the random seed. genice2 5 -s 1024 --format cif > 5-1024.cif To obtain an ice VI lattice with different density and with TIP4P water model in gromacs format, use--dens xoption to specify the...