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First-principles calculations of the equations of state and relative stability of iron carbides at the Earth's core pressures / K. D. Litasov [et al.] // Russ. Geol. Geophys. - 2015. - Vol. 56, Is. 1-2. - P. 164-171, DOI 10.1016/j.rgg.2015.01.010. - Cited References:50. - The study was supported by the Russian Science Foundation (grant no. 14-17-00601) and a grant for young scientists from the President of the Russian Federation (MD-500.2013.5) under a project of the Ministry of Education and Science (no. 14.B25.31.0032). The work of S.G. Ovchinnikov and Z.I. Popov was also supported by the Leading Science School program (no. NSh-2886.2014.2). . - ISSN 1068. - ISSN 1878-030X. -

РУБ Geosciences, Multidisciplinary
Рубрики:
AUGMENTED-WAVE METHOD
   Fe-C SYSTEM
   AB-INITIO
   OF-STATE
   CARBON
   MANTLE
Кл.слова (ненормированные):
iron carbide -- Earth's core -- first-principles calculations -- density -- bulk -- modulus -- magnetic moment
Аннотация: Recent experimental studies have demonstrated that Fe3C is more stable than Fe7C3 under PT-conditions of the Earth's core. Theoretical calculations at 0 K, in turn, show the possible stability of Fe2C at the core pressures. Therefore, a theoretical modeling of iron carbides at <=500 GPa is carried out. Energetically stable phases and the pressures of magnetic transitions at 0 K are determined. The parameters of magnetic transitions for Fe7C3 and Fe3C are consistent with those determined in the previous papers. The phase transition from Pnnm to Pnma in Fe2C at 28 GPa is estimated. At > 100 GPa, Fe2C loses its magnetic moment. Assuming carbon to be the only light element in the system, the first-principles calculations yield 2.7-2.9 and 2.0-2.2 wt.% C at the boundary of the inner core at 5000 and 7000 K, respectively.

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Публикация на русском языке Первопринципные расчеты уравнений состояния и относительной стабильности карбидов железа при давлениях ядра земли [Текст] / К. Д. Литасов [и др.] // Геол. и геофиз. - Новосибирск : Изд-во СО РАН, 2015. - Т. 56 № 1-2. - С. 214-223

Держатели документа:
Russian Acad Sci, Siberian Branch, VS Sobolev Inst Geol & Mineral, Novosibirsk 630090, Russia
Russian Acad Sci, Siberian Branch, LV Kirensky Inst Phys, Krasnoyarsk 660036, Russia
Novosibirsk State Univ, Novosibirsk 630090, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Litasov, K. D.; Popov, Z. I.; Попов, Захар Иванович; Gavryushkin, P. N.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Fedorov, A. S.; Федоров, Александр Семенович; Russian Science Foundation [14-17-00601]; Russian Federation under Ministry of Education and Science [MD-500.2013.5, 14.B25.31.0032]; Leading Science School program [NSh-2886.2014.2]
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In situ spectroscopic study of water intercalation into talc: New features of 10 Å phase formation / S. V. Rashchenko [et al.] // Am. Miner. - 2016. - Vol. 100, Is. 1-2. - P. 431-436, DOI 10.2138/am-2016-5356. - Cited References:32. - This research was supported by Russian Foundation for Basic Research [grants 13-05-00185 and 14-05-00616]. A partial support from Russian Ministry of Education and Science [grant 14.B25.31.0032] and Russian Science Foundation [grant 14-13-00834] is acknowledged. We also acknowledge Mark D. Welch and an anonymous reviewer for a helpful revision of the manuscript. . - ISSN 0003-004X. - ISSN 1945-3027

РУБ Geochemistry & Geophysics + Mineralogy
Рубрики:
SYSTEM MgO-SiO2-H2O
   SUBDUCTION ZONES
   10-ANGSTROM PHASE
   HIGH-PRESSURES
   H2O CONTENT
   HP-HT
   MANTLE
   STABILITY
   TEMPERATURES
   GPA
Кл.слова (ненормированные):
10 angstrom phase -- talc -- water transport -- subduction
Аннотация: The synthesis of 10 angstrom phase via the reaction of talc plus water at 8 GPa and 500 degrees C was studied by in situ Raman spectroscopy using a diamond-anvil cell. The initial fast (2 h) incorporation of interlayer H2O molecules into the talc structure is traced by gradual growth of new OH stretching bands at 3592 and 3621 cm(-1) and the shift of several framework bands. Further monitoring at HP-HT conditions over 7 h reveals gradual weakening of the 3592 cm(-1) band, which can probably be related to the onset of the formation of "long-run" 10 angstrom phase through the appearance of silanol groups following the model proposed by Pawley et al. (2010), influencing the interlayer hydrogen bonding.

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Держатели документа:
Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, 3 Koptyug Ave, Novosibirsk 630090, Russia.
Novosibirsk State Univ, 2 Pirogov St, Novosibirsk 630090, Russia.
Russian Acad Sci, Siberian Branch, Inst Solid State Chem & Mechanochem, 18 Kutateladze St, Novosibirsk 630128, Russia.
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, 50-38 Akademgorodok, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Rashchenko, Sergey V.; Likhacheva, A. Y.; Goryainov, S. V.; Krylov, A. S.; Крылов, Александр Сергеевич; Litasov, Konstantin D.; Russian Foundation for Basic Research [13-05-00185, 14-05-00616]; Russian Ministry of Education and Science [14.B25.31.0032]; Russian Science Foundation [14-13-00834]
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