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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavryushkin P. N., Popov Z. I., Litasov K. D., Gavryushkin A.
Заглавие : Unbiased crystal structure prediction of NiSi under high pressure
Место публикации : J. Appl. Crystallogr.: Wiley-Blackwell, 2015. - Vol. 48, No. 3. - P.906-908. - ISSN 0021, DOI 10.1107/S1600576715005488. - ISSN 16005767(eISSN)
Примечания : Cited References:29. - We thank the Information Technology Centre of Novosibirsk State University for providing access to the cluster computational resources. The research was financially supported by the Russian Science Foundation (grant No. 14-17-00601) and performed under the program of the Ministry of Education and Science of Russia (project No. 14.B25.31.0032). The work of ZIP is supported by the Leading Science School program (No. NS-2886.2014.2).
Предметные рубрики: AUGMENTED-WAVE METHOD
PHASE-TRANSITIONS
STABILITY
EQUATIONS
STATE
Ключевые слова (''Своб.индексиров.''): earth's core--pressure--ab initio calculations--fesi--nisi--cosi--mnsi--isomorphism
Аннотация: On the basis of an unbiased structure prediction, it is shown that the stable form of NiSi under pressures of 100 and 200 GPa is the Pmmn structure. Furthermore, a new stable phase has been discovered: the deformed tetragonal CsCl-type structure with a = 2.174 Å and c = 2.69 Å at 400 GPa. Specifically, the sequence of high-pressure phase transitions is the following: the Pmmn structure below 213 GPa, the tetragonal CsCl type in the range 213–522 GPa, and cubic CsCl higher than 522 GPa. As the CsCl-type structure is considered as the model structure of the FeSi compound at the conditions of the Earth's core, this result implies restrictions on the Fe–Ni isomorphic miscibility in FeSi.
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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shapiro V. E.
Заглавие : Kinetic method for waves in random-media
Место публикации : Physica A. - 1993. - Vol. 192, Is. 3. - P.323-341. - ISSN 0378-4371, DOI 10.1016/0378-4371(93)90042-3
Примечания : Cited References: 26
Предметные рубрики: EQUATIONS
Аннотация: New tools of statistical analysis for systems obeying differential equations in partial (and ordinary) derivatives with randomly alternating parameters of Markovian type and edge boundary conditions are presented. While the conventional master equation methods are valid only for the stochastic equations with given initial conditions, the method presented is more general and incorporates no embedding to an initial value problem. We develop a simple formalism by introduction of special double-sided conditional averages of dynamic variables. Its main advantage is that the averaging procedure for linear systems with multiplicative random influence is linear, yielding the possibility to obtain exact analytical solutions. The method is applied to a typical model of the theory of wave propagation in random media and exact results of its analysis are presented.
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