High-pressure stable phases in mercury azide
WebThe theoretical calculations show that the two P-1 structures are dynamically stable at 50 GPa and 200 GPa. In these two phases, the nitrogen atoms form an infinite one-dimensional zigzag chain and connected N 6 ring, respectively. Two stable structures have semiconductor properties throughout the stable pressure range, primarily due to sp WebDec 31, 2011 · The compressibility of Phase II is dominated by the repulsions between azide anions. The deformation of unit cell is isotropic in Phases II and IV and anisotropic in Phase III. With increasing pressures, the monoclinic angle increases in Phase III and then becomes stable in Phase IV.
High-pressure stable phases in mercury azide
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Web1.2.1 Crystal Structure of Parent and Martensite Phases. The β phase, i.e., high-temperature phase or parent phase, has a bcc structure, while the martensite phase has a hexagonal structure (α′ phase) or an orthorhombic structure (α″ phase). Fig. 1.1 shows the crystal … WebThe structural, electronic, optical, and vibrational properties of LiN3 under high pressure have been studied using plane wave pseudopotentials within the generalized gradient approximation for the exchange and correlation functional. The calculated lattice parameters agree quite well with experiments. The calculated bulk modulus value is found …
WebOct 28, 2024 · The exploration of stable copper–nitrogen (Cu–N) compounds with high-energy-density has been challenging for a long time. Recently, through a combination of high temperatures and pressures, a new copper diazenide compound ( P 6 3 / mmc -CuN 2) has been synthesized (Binns et al 2024 J. Phys. Chem. Lett. 10 1109–1114). WebDec 24, 2014 · High-pressure powder x-ray diffraction experiments have been carried out on solid mercury up to 196 GPa at room temperature. The hexagonal-close-packed δ phase, which exists above 36 GPa, is found to remain stable up to the highest pressure investigated. The c/a axial ratio monotonously decreases under pressure in a manner …
WebApr 10, 2024 · The U.S. Department of Energy's Office of Scientific and Technical Information WebWith increasing pressures, the monoclinic angle increases in Phase III and then becomes stable in Phase IV. The bulk moduli of Phases II, III, IV, and V are determined to be 18 ± 4, 20 ± 1, 27 ± 1 and 34 ± 1 GPa, respectively. The ionic character of alkali azides is found to play a key role in their pressure-induced phase transitions.
WebOct 28, 2024 · The exploration of stable copper–nitrogen (Cu–N) compounds with high-energy-density has been challenging for a long time. Recently, through a combination of high temperatures and pressures, a new copper diazenide compound ( P 6 3 / mmc -CuN 2) …
WebExploring the bonding properties and polymerization mechanism of the polymer phases of nitrogen-rich compounds is one of the goals of high-pressure research. Considering first-principles calculations, a particle swarm optimization structure search method has been … sharepoint syntex vs microsoft syntexWebJun 1, 2012 · The U.S. Department of Energy's Office of Scientific and Technical Information sharepoint tab web partWebMar 12, 2014 · The first-principles method and the evolutionary algorithm are used to identify stable high pressure phases of potassium azide (KN 3 ). It has been verified that the stable phase with... sharepoint table web partWebMay 24, 2024 · This term includes mercury-containing wastes like certain batteries, thermostats, barometers, manometers, temperature and pressure gauges, certain switches, and light bulbs. Businesses and industries that qualify as universal waste handlers must … sharepoint tags columnWeb8.3.5 Mechanism of the formation of γ-hydrides. The γ- hydride phase precipitates form in both the α- and the β-alloys at high quenching rates. Alloys containing hydrogen to a level exceeding the terminal solubility, will invariably produce γ-hydride precipitates. The … sharepoint tagsWebOct 28, 2013 · At pressure of 20 GPa, a monoclinic structure, as shown in fig. 1 (b), is predicted to be most stable phase for KN 3. The phase has the optimized lattice parameters a = 4.426 Å, b = 4.474 Å, c = 5.516 Å and with atomic positions: K atoms at 2 a (0, 0, 0), N atoms at 2 c (1/2, , 1/2) and 4 i (0.809, , 0.684) at 20 GPa. sharepoint talnetWebThe azide is extracted to an organic phase for reaction with an amine nucleophile for amide bond formation. The collection vessel was contained within an ice bath. ... We selected not to modify an acid free Boc deprotection flow protocol at high temperature (300 °C) and high pressure ... The system was stable for the duration of the run with ... sharepoint tags in refinement search