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The hydrogenation of Nd2Fe14B under a high pressure of hydrogen has been investigated for the first time. At the heat-treatment temperature of 600 degree C, the almost complete decomposition of Nd2Fe14B into NdH2+x and alpha-Fe is observed, although a rather long heat-treatment time is necessary to achieve the sufficient hydrogenation. The desorption of hydrogen from NdH2+x does not occur in the furnace-cooling process.
Silica, water and hydrogen are known to be the major components of celestial bodies, and have significant influence on the formation and evolution of giant planets, such as Uranus and Neptune. Thus, it is of fundamental importance to investigate thei
Concurrent molecular dynamics simulations and ab initio calculations show that densification of silica under pressure follows a ubiquitous two-stage mechanism. First, anions form a close-packed sub-lattice, governed by the strong repulsion between th
Evolutionary structure searches predict three new phases of iodine polyhydrides stable under pressure. Insulating P1-H5I, consisting of zigzag chains of HI (delta+)and H2(delta-) molecules, is stable between 30-90 GPa. Cmcm-H2I and P6/mmm-H4I are fou
By means of temperature and wavelength-dependent small-angle neutron scattering (SANS) experiments on sintered isotropic and textured Nd-Fe-B magnets we provide evidence for the existence of an anisometric structure in the microstructure of the textu
This article reports the study of SnO by using the first-principles pseudopotential plane-wave method within the generalized gradient approximation (GGA). We have calculated the structural, elastic, electronic and optical of SnO under high pressure.