Role of lone-pair electron localization in temperature-induced phase transitions in mimetite.

The crystal structure of mimetite Pb5(AsO4)3Cl, a phosphate with apatite structure-type has been investigated in situ at 123, 173, 273, 288, 353 and 393 K. A careful inspection of the diffraction pattern and subsequent structure refinements indicated that mimetite transforms from the monoclinic to the hexagonal polymorph with increasing temperature. At 123 K, a monoclinic superstructure, mimetite-2M, with cell parameters a = 20.4487 (9),  b = 7.4362 (2), c = 20.4513 (9) Å, β = 119.953 (6)°, V = 2694.5 (2) Å3 and space group P21 was observed. From 173 to 353 K, the reflections of the supercell were evident only along one direction of the corresponding hexagonal apatite-cell and the structure transforms to the polymorph mimetite-M with space group P21/b and unit-cell parameters a = 10.2378 (3), b = 20.4573 (7), c = 7.4457 (2) Å, β = 120.039 (5)°, V = 1349.96 (9) Å3. Only at higher temperature, i.e. 393 K, does mimetite adopt the hexagonal space group P63/m characteristic of apatite structure-types. The role of the electron lone pairs of Pb atoms in the phase transition was investigated through the analysis of the electron localization function (ELF) calculated based on the DFT-geometry optimized structures of the three polymorphs. The changes in spatial distribution of the 6s2 electron density during the phase transitions were explored by means of the Wannier Function Centres (WFCs) derived from ab initio molecular dynamics trajectories. In the high-temperature hexagonal structure the 6s2 electrons are spherically symmetric relative to the position of Pb atoms. At low temperature the maximum of 6s2 electron density is displaced relative to the position of Pb atom contributing to the polar interaction in the monoclinic polymorphs

Analysis of the microphysical properties of snowfall using scanning polarimetric and vertically pointing multi-frequency Doppler radars

Radar dual-wavelength ratio (DWR) measurements from the Stony Brook Radar Observatory Ka-band scanning polarimetric radar (KASPR, 35 GHz), a W-band profiling radar (94 GHz), and a next-generation K-band (24 GHz) micro rain radar (MRRPro) were exploited for ice particle identification using triple-frequency approaches. The results indicated that two of the radar frequencies (K and Ka band) are not sufficiently separated; thus, the triple-frequency radar approaches had limited success. On the other hand, a joint analysis of DWR, mean Doppler velocity (MDV), and polarimetric radar variables indicated potential in identifying ice particle types and distinguishing among different ice growth processes and even in revealing additional microphysical details. We investigated all DWR pairs in conjunction with MDV from the KASPR profiling measurements and differential reflectivity (ZDR) and specific differential phase (KDP) from the KASPR quasi-vertical profiles. The DWR-versus-MDV diagrams coupled with the polarimetric observables exhibited distinct separations of particle populations attributed to different rime degrees and particle growth processes. In fallstreaks, the 35–94 GHz DWR pair increased with the magnitude of MDV corresponding to the scattering calculations for aggregates with lower degrees of riming. The DWR values further increased at lower altitudes while ZDR slightly decreased, indicating further aggregation. Particle populations with higher rime degrees had a similar increase in DWR but a 1–1.5 m s−1 larger magnitude of MDV and rapid decreases in KDP and ZDR. The analysis also depicted the early stage of riming where ZDR increased with the MDV magnitude collocated with small increases in DWR. This approach will improve quantitative estimations of snow amount and microphysical quantities such as rime mass fraction. The study suggests that triple-frequency measurements are not always necessary for in-depth ice microphysical studies and that dual-frequency polarimetric and Doppler measurements can successfully be used to gain insights into ice hydrometeor microphysics

Helium Nova on a Very Massive White Dwarf -- A Light Curve Model of V445 Puppis (2000) Revised

V445 Pup (2000) is a unique object identified as a helium nova. Color indexes during the outburst are consistent with those of free-free emission. We present a free-free emission dominated light curve model of V445 Pup on the basis of the optically thick wind theory. Our light curve fitting shows that (1) the white dwarf (WD) mass is very massive (M_WD \gtrsim 1.35 M_\sun), and (2) a half of the accreted matter remains on the WD, both of which suggest that the increasing WD mass. Therefore, V445 Pup is a strong candidate of Type Ia supernova progenitor. The estimated distance to V445 Pup is now consistent with the recent observational suggestions, 3.5 < d < 6.5 kpc. A helium star companion is consistent with the brightness of m_v=14.5 mag just before the outburst, if it is a little bit evolved hot (\log T (K) \gtrsim 4.5) star with the mass of M_He \gtrsim 0.8 M_\sun. We then emphasize importance of observations in the near future quiescent phase after the thick circumstellar dust dissipates away, especially its color and magnitude to specify the nature of the companion star. We have also calculated helium ignition masses for helium shell flashes against various helium accretion rates and discussed the recurrence period of helium novae.Comment: 8 pages including 12 figures, to appear in Ap

Master’s Programs in Russia: Four Paths of Future Development

The publication raises the question of the role of master’s degree in the system of modern higher education. Based on a survey of opinions (three-party survey) of key stakeholder groups (employers; students in higher education programs; managers of master’s degree programs; master’s degree teachers), the authors consider possible options for developing master’s degree as one of the key stages of higher education in Russia. The authors conclude that university development programs in the field of master’s degree education should be designed taking into account the high level of uncertainty in the external environment, which means that they should provide for scenario modeling of the future of the entire scientific and educational ecosystem. The study uses the classification of four types of the future labor market (“technological world”, “world of social responsibility”, “world of entrepreneurship” and “world of corporations”) as the main hypothesis about the options for such scenario planning. The study results are visualized in the form of a roadmap for the strategic development of the Russian master’s degree programs, highlighting key trends for each of the development options. The practical result of the study was the identification of the main “gaps” in the positions of stakeholders on the status of the master’s degree program and effective models of its implementation. The conclusions and results of the publication will be interesting for the purposes of the university strategic management, the formation of a development strategy for the master’s degree, as well as the development of special programs for interaction with employers and students

Aspectos da atividade de "notificação de barbeiros" pela população no controle de Panstrongylus megistus em 12 municípios da região noroeste do Estado de São Paulo, Brasil, 1974 a 1983

The importance of "bug reporting", on the part of the local human population, to the epidemiological surveillance of Chagas' disease in S. Paulo State is demonstrated. The variations the number of "bug reports" from the local human population in the period from 1974 to 1983 relating to an area, infested by Panstrongylus megistus, in the northeast of S. Paulo State are studied. An increase in the number of "bug reporting" occurring in October, November and December was observed; however, no connection was discovered between domiciliary infestation rate and the "bug report" rate in this specific area.É mostrada a importância atual da atividade de "notificação de barbeiros" pela população, na vigilância epidemiológica da doença de Chagas no Estado de São Paulo. São estudadas as variações ocorridas no número de notificações encaminhadas pela população no período de 1974 a 1983, relativa a uma área da Região Nordeste do referido Estado, com infestação por Panstrongylus megistus. Observou-se que a população responde aos estímulos à sua participação. Verificou-se aumento do número de notificações a partir do mês de outubro, mantendo-se similar nos meses de novembro e dezembro. Não foi encontrada relação entre os índices de infestação e o de notificação