Ab initio prediction of pressure-induced structural phase transition of superconducting FeSe

External pressure driven phase transitions of FeSe are predicted using ab initio calculations. The calculations reveal that α-FeSe makes transitions to NiAs-type, MnP-type, and CsCl-type FeSe. Transitions from NiAs-type to MnP-type and CsCl-type FeSe are also predicted. MnP-type FeSe is also found to be able to transform to CsCl-type FeSe, which is easier from α-FeSe than the transition to MnP-type FeSe, but comparable to the transition from NiAs-type FeSe. The calculated electronic structures show that all phases of FeSe are metallic, but the ionic interaction between Fe-Se bonds becomes stronger and the covalent interaction becomes weaker when the structural phase transition occurs from α-FeSe to the other phases of FeSe. The experimentally observed decrease in T(c) of superconducting α-FeSe at high pressure may be due to a structural/magnetic instability, which exists at high pressure. The results suggest an increase of the T(c) of α-FeSe if such phase transitions are frustrated by suitable methods.     

潜伏期和染病期均具有传染性的媒介传染病模型的全局稳定性分析

讨论潜伏期和染病期均具有传染性的媒介传染病模型.得到模型基本再生数的表达式,证明了当基本再生数小于1时,无病平衡点是全局渐近稳定的,此时疾病消亡;当基本再生数大于1时,无病平衡点是不稳定的,系统存在全局渐近稳定的地方病平衡点,此时,疾病将在人群中持续存在,数值模拟验证了理论结果.     

A tandem ionic liquid-based dispersive microextraction method using in-syringe air-assisted vesicle system for rapid determination of lead and cadmium in artificial sweat extract of facial cosmetic products

In the present study an innovative tandem ionic liquid-based dispersive microextraction method using an in-syringe air-assisted vesicle system was developed to determine the ultra-trace levels of lead (Pb^II) and cadmium (Cd^II) ions in synthetic sweat extract of branded and nonbranded facial cosmetic products. This method is based on injecting 2-amino-3-sulfhydrylpropanoic acid (l -cysteine) (as an eco-friendly chelating agent), hexafluorophosphate ion [PF₆⁻] (as an ion pair agent) and 1-hexyl-3-methylimidazolium hexafluorophosphate [HMIM] [PF₆] (as an acceptor phase) into the synthetic sweat extract of facial cosmetic products (branded and nonbranded). The acceleration of the dispersion process was carried out by rapid pressure in the syringe through the back-and-forth movement of plunger. The sediment phase was removed following centrifugation, and then hydrophobic complexes of analyte were back-extracted into HNO₃ and finally injected into a flame atomic absorption spectrometer. Several factors were systematically optimized. The validity of the methodology was tested by analyzing spiked known standards of both metals in a real sample. The proposed method was applied to the artificial sweat extracts of face makeup products, indicating how much toxic metals from different cosmetics are directly absorbed into skin.     

Comparative isoconversional thermal analysis of Artemisia vulgaris hydrogel and its acetates; a potential matrix for sustained drug delivery

Abstract

Artemisia vulgaris hydrogel (AVH) was acetylated (AAVH) and characterized by FTIR, CP/MAS ¹³C-NMR spectroscopic techniques and thermogravimetric analysis. Flynn–Waal–Ozawa model was used to investigate thermal degradation kinetics. Energy of activation (Ea) values of first and major thermal degradation steps were found to be 128.14 and 116.85 kJmol^?1 for AVH and AAVH, respectively. Thermodynamic triplet, order of degradation reaction, integral procedural decomposition temperature (IPDT) and comprehensive index of intrinsic thermal stability (ITS) were also taken into account. In vitro caffeine release from AVH-based matrix tablets indicates potential of AVH for the development of oral delivery systems for sustained drug release.     

Is Coleman-Weinberg symmetry breaking in the standard model ruled out?

In the standard model with Coleman-Weinberg symmetry breaking a symmetric vacuum (〈φ〉 = 0) always exists at any non-zero temperature; the transition to the symmetry-breaking vacuum can only occur after much supercooling. Witten has shown that this transition occurs when the strong interactions break chiral symmetry; the transition temperature is O(200) MeV and a large (but not fatal) amount of entropy is produced. It is noted here that since the strong coupling grows as the universe cools in the metastable symmetric vacuum, the Yukawa coupling to the top quark will also grow. This causes top quark loops to dominate the effective potential at small scales, drastically altering the nature of the transition. We show that if $\text{m}{}_{\mathrm{<mtext>t</mtext>}}\text{? 65}\text{GeV}$, a metastable vacuum at 〈φ〉 ≈ 0(1) GeV forms which persists to T = 0; the resulting transition would generate far too much entropy to be compatible with the current baryon to entropy ratio, ruling out the CW mechanism. If m_t ? 65 GeV, we argue that a metastable vacuum might also exist, but a breakdown of perturbation theory precludes a definitive statement.     

Synthesis of non-symmetrical 3,5-diamidobenzyl amines, ethers and sulfides

A straightforward synthesis of non-symmetrical 3,5-diamidobenzyl amines, ethers and sulfides starting from 3,5-dinitrobenzoic acid is reported. Functionalization of the benzylic position is only achieved after formation of the two amides, otherwise benzylic hydrogenolysis occurs during nitro group reduction.     

Double-exchange ferromagnetism in the partially-filled one-dimensional Kondo lattice model

We investigate the incompletely saturated ferromagnetic phase which occurs at strong-coupling in the partially-filled one-dimensional (1D) Kondo lattice model. The double-exchange interaction responsible for the ferromagnetic ordering is absent in dilute Kondo systems, and is a missing element in nearly all theoretical treatments of the model. We discuss how: 1) double-exchange arises in the system, even though the Kondo coupling is antiferromagnetic, and show that at strong-coupling it favors an alignment of the spins of unpaired localized moments; and 2) how this determines the ground-state phase diagram, and properties of the localized moments.     

Mössbauer study of elemental substitution in Nd18Fe76B6 alloy

Fe-rich Nd-Fe-B permanent magnetic materials are of great technological interest because of their superior magnetic properties such as coercivity and large energy products. These properties can be further enhanced by the substitution of Nd or Fe. We are presenting the results of atomic replacement of iron by Ga, Dy, Nb and Si, in the base material N₁₈Fe_{7 6}B₆, obtained by Mössbauer spectroscopy. It is observed that the net magnetization decreases for all compositions with the substitution of these elements.