Microscopic models of hardness

Recent developments in the field of microscopic hardness models have been reviewed. In these models, the theoretical hardness is described as a function of the bond density and bond strength. The bond strength may be characterized by energy gap, reference potential, electron-holding energy or Gibbs free energy, and different expressions of bond strength may lead to different hardness models. In particular, the hardness model based on the chemical bond theory of complex crystals has been introduced in detail. The examples of the hardness calculations of typical crystals, such as spinel Si₃N₄, stishovite SiO₂, B₁₂O₂, ReB₂, OsB₂, RuB₂, and PtN₂, are presented. These microscopic models of hardness would play an important role in search for new hard materials.Зроблено огляд останніх розробок в області мікромоделей твердості. У цих моделях теоретичну твердість описано як функцію щільності та міцності зв’язку. Міцність зв’язку може бути охарактеризована шириною забороненої зони, опорним потенціалом, енергією утримання електрона або вільною енергією Гіббса. Тому різні вирази міцності зв’язку приведуть до різних моделей міцності. Зокрема, докладно описано модель твердості, основану на теорії хімічного зв’язку складних кристалів. Наведено приклади розрахунків твердості типових кристалів, таких як шпінель Si₃N₄, стишовіт SiO₂, B₁₂O₂, ReB₂, OsB₂, RuB₂ и PtN₂. Ці мікромоделі твердості будуть грати важливу роль в пошуку нових твердих матеріалів.Дан обзор последних разработок в области микромоделей твердости. В этих моделях теоретическая твердость описана как функция плотности и прочности связи. Прочность связи может быть охарактеризована шириной запрещенной зоны, опорным потенциалом, энергией удержания электрона или свободной энергией Гиббса. Поэтому различные выражения прочности связи приведут к различным моделям твердости. В частности, подробно описана модель твердости, основанная на теории химической связи сложных кристаллов. Привены примеры расчета твердости типичных кристаллов, таких как шпинель Si₃N₄, стишовит SiO₂, B₁₂O₂, ReB₂, OsB₂, RuB₂ и PtN₂. Эти микромодели твердости будут играть важную роль в поиске новых твердых материалов

Acute effects of ambient nitrogen oxides and interactions with temperature on cardiovascular mortality in Shenzhen, China

Background: Though inconsistent, acute effects of ambient nitrogen oxides on cardiovascular mortality have been reported. Whereas, interactive roles of temperature on their relationships and joint effects of different indicators of nitrogen oxides were less studied. This study aimed to extrapolate the independent roles of ambient nitrogen oxides and temperature interactions on cardiovascular mortality.Methods: Data on mortality, air pollutants, and meteorological factors in Shenzhen from 2013 to 2019 were collected. Three indicators including nitric oxide (NO), nitrogen dioxide (NO2), and nitrogen oxides (NOX) were studied. Adjusted generalized additive models (GAMs) were applied to analyse their associations with cardiovascular mortality in different groups.Results: The average daily concentrations of NO, NO2, and NOX were 11.7 mu g/m(3), 30.7 mu g/m(3), and 53.2 mu g/m(3), respectively. Significant associations were shown with each indicator. Cumulative effects of nitrogen oxides were more obvious than distributed lag effects. Males, population under 65 years old, and population with stroke related condition were more susceptible to nitrogen oxides. Adverse effects of nitrogen oxides were more significant at low temperature. Impacts of NO2 on cardiovascular mortality, and NO on stroke mortality were the most robust in the multi-pollutant models, whereas variations were shown in the other relationships.Conclusions: Low levels of nitrogen oxides showed acute and adverse impacts and the interactive roles of temperature on cardiovascular mortality. Cumulative effects were most significant and joint effects of nitrogen oxides required more attention. Population under 65 years old and population with stroke-related health condition were susceptible, especially days at lower temperature

Electron recombination with multicharged ions via chaotic many-electron states

We show that a dense spectrum of chaotic multiply-excited eigenstates can play a major role in collision processes involving many-electron multicharged ions. A statistical theory based on chaotic properties of the eigenstates enables one to obtain relevant energy-averaged cross sections in terms of sums over single-electron orbitals. Our calculation of the low-energy electron recombination of Au$^{25+}$ shows that the resonant process is 200 times more intense than direct radiative recombination, which explains the recent experimental results of Hoffknecht {\em et al.} [J. Phys. B {\bf 31}, 2415 (1998)].Comment: 9 pages, including 1 figure, REVTe

Universal behavior of localization of residue fluctuations in globular proteins

Localization properties of residue fluctuations in globular proteins are studied theoretically by using the Gaussian network model. Participation ratio for each residue fluctuation mode is calculated. It is found that the relationship between participation ratio and frequency is similar for all globular proteins, indicating a universal behavior in spite of their different size, shape, and architecture.Comment: 4 pages, 3 figures. To appear in Phys. Rev.

Post-natal parental care in a Cretaceous diapsid from northeastern China

Post-natal parental care seems to have evolved numerous times in vertebrates. Among extant amniotes, it is present in crocodilians, birds, and mammals. However, evidence of this behavior is extremely rare in the fossil record and is only reported for two types of dinosaurs, and a varanopid ‘pelycosaur’. Here we report new evidence for post-natal parental care in Philydrosaurus, a choristodere, from the Yixian Formation of western Liaoning Province, China. We review the fossil record of reproduction in choristoderes, and this represents the oldest record of post-natal parental care in diapsids to our knowledge

Interface and electronic characterization of thin epitaxial Co3O4 films

The interface and electronic structure of thin (~20-74 nm) Co3O4(110) epitaxial films grown by oxygen-assisted molecular beam epitaxy on MgAl2O4(110) single crystal substrates have been investigated by means of real and reciprocal space techniques. As-grown film surfaces are found to be relatively disordered and exhibit an oblique low energy electron diffraction (LEED) pattern associated with the O-rich CoO2 bulk termination of the (110) surface. Interface and bulk film structure are found to improve significantly with post-growth annealing at 820 K in air and display sharp rectangular LEED patterns, suggesting a surface stoichiometry of the alternative Co2O2 bulk termination of the (110) surface. Non-contact atomic force microscopy demonstrates the presence of wide terraces separated by atomic steps in the annealed films that are not present in the as-grown structures; the step height of ~ 2.7 A corresponds to two atomic layers and confirms a single termination for the annealed films, consistent with the LEED results. A model of the (1 * 1) surfaces that allows for compensation of the polar surfaces is presented.Comment: 8 pages, 7 figure

Chemostratigraphy of Neoproterozoic carbonates: implications for 'blind dating'

The delta C-13(carb) and Sr-87/Sr-86 secular variations in Neoproteozoic seawater have been used for the purpose of 'isotope stratigraphy' but there are a number of problems that can preclude its routine use. In particular, it cannot be used with confidence for 'blind dating'. The compilation of isotopic data on carbonate rocks reveals a high level of inconsistency between various carbon isotope age curves constructed for Neoproteozoic seawater, caused by a relatively high frequency of both global and local delta C-13(carb) fluctuations combined with few reliable age determinations. Further complication is caused by the unresolved problem as to whether two or four glaciations, and associated negative delta C-13(carb) excursions, can be reliably documented. Carbon isotope stratigraphy cannot be used alone for geological correlation and 'blind dating'. Strontium isotope stratigraphy is a more reliable and precise tool for stratigraphic correlations and indirect age determinations. Combining strontium and carbon isotope stratigraphy, several discrete ages within the 590-544 Myr interval, and two age-groups at 660-610 and 740-690 Myr can be resolved

A-dependence of nuclear transparency in quasielastic A(e,e'p) at high Q^2

The A-dependence of the quasielastic A(e,e'p) reaction has been studied at SLAC with H-2, C, Fe, and Au nuclei at momentum transfers Q^2 = 1, 3, 5, and 6.8 (GeV/c)^2. We extract the nuclear transparency T(A,Q^2), a measure of the average probability that the struck proton escapes from the nucleus A without interaction. Several calculations predict a significant increase in T with momentum transfer, a phenomenon known as Color Transparency. No significant rise within errors is seen for any of the nuclei studied.Comment: 5 pages incl. 2 figures, Caltech preprint OAP-73

Test of the weak cosmic censorship conjecture with a charged scalar field and dyonic Kerr-Newman black holes

A thought experiment considered recently in the literature, in which it is investigated whether a dyonic Kerr-Newman black hole can be destroyed by overcharging or overspinning it past extremality by a massive complex scalar test field, is revisited. Another derivation of the result that this is not possible, i.e. the weak cosmic censorship is not violated in this thought experiment, is given. The derivation is based on conservation laws, on a null energy condition, and on specific properties of the metric and the electromagnetic field of dyonic Kerr-Newman black holes. The metric is kept fixed, whereas the dynamics of the electromagnetic field is taken into account. A detailed knowledge of the solutions of the equations of motion is not needed. The approximation in which the electromagnetic field is fixed is also considered, and a derivation for this case is also given. In addition, an older version of the thought experiment, in which a pointlike test particle is used, is revisited. The same result, namely the non-violation of the cosmic censorship, is rederived in a way which is simpler than in earlier works.Comment: 18 pages, LaTe

Virtual Compton Scattering and Neutral Pion Electroproduction in the Resonance Region up to the Deep Inelastic Region at Backward Angles

We have made the first measurements of the virtual Compton scattering (VCS) process via the H$(e,e'p)\gamma$ exclusive reaction in the nucleon resonance region, at backward angles. Results are presented for the $W$-dependence at fixed $Q^2=1$ GeV$^2$, and for the $Q^2$-dependence at fixed $W$ near 1.5 GeV. The VCS data show resonant structures in the first and second resonance regions. The observed $Q^2$-dependence is smooth. The measured ratio of H$(e,e'p)\gamma$ to H$(e,e'p)\pi^0$ cross sections emphasizes the different sensitivity of these two reactions to the various nucleon resonances. Finally, when compared to Real Compton Scattering (RCS) at high energy and large angles, our VCS data at the highest $W$ (1.8-1.9 GeV) show a striking $Q^2$- independence, which may suggest a transition to a perturbative scattering mechanism at the quark level.Comment: 20 pages, 8 figures. To appear in Phys.Rev.