WebMar 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... WebSep 15, 2024 · Transformation of Ammonium Azide at High Pressure and Temperature Transformation of Ammonium Azide at High Pressure and Temperature Authors Guozhao Zhang 1 2 , Haiwa Zhang 2 , Sandra Ninet 2 , Hongyang Zhu 3 , Keevin Beneut 2 , Cailong Liu 4 , Mohamed Mezouar 5 , Chunxiao Gao 1 , Frédéric Datchi 2 Affiliations
High-pressure stable phases in mercury azide Request …
WebAug 28, 2013 · It provides the world with the preparation of all kinds of mercury azides, and any decent chemist will be wincing already. In general, the bigger and fluffier the metal counterions, the worse off you are with the explosive salts (perchlorates, fulminates, and the others in the sweaty-eyebrows category). WebOct 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. incandescent bulb holder
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WebJul 18, 2024 · The high-pressure phase diagram of Ag–N compounds is enriched by proposing three stable high-pressure phases (P4/mmm-AgN2, P1-AgN7 and P-1-AgN7) and two metastable high-pressure phases (P-1-AgN4 and P-1-AgN8). The novel N7 rings and N20 rings are firstly found in the folded layer structure of P-1-AgN7. The electronic … 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 … WebThree new phases with P-1, P2 1 /m, and P-1 structures at pressures of 38 GPa, 125 GPa, and 148 GPa are identified for the first time. The theoretical calculations show that the two P-1 structures are dynamically stable at 50 GPa and 200 GPa. incandescent bulb e14 40w heat resistant 300c