Pressure–temperature phase diagrams for four higher members (nonyl–dodecyl) of the homologous series of 4′-alkyl-4-isothiocyanato-biphenyl ( n BT)

Differential thermal analysis (DTA) method was applied to study the pressure–temperature phase diagrams for four members of the 4′-alkyl-4-isothiocyanato-biphenyl (nBT) homologous series (n?=?9–12). These compounds exhibit a smectic E polymorphism enriched by a smectic A phase for two longest members. Measurements were performed in the temperature range 25–110°C and the pressure range up to 165?MPa. For all substances studied the pressure-induced phases were established with one or two triple points in the examined pressure range. In addition, for the 11BT and the 12BT the phases existing under atmospheric pressure disappeared under relatively low pressures. The results are compared with recently studied smectogenic n-alkyl-cyanobiphenyl (nCB) compounds.     

The electronic structures of commensurate Ru(0001)–(3 × 3)–4Kr and Ru(0001)–(5 × 5)–Kr using density functional theory

We have calculated the minimum energies for each of three positionings of the adatom unit cells for Ru(0001)–(3 × 3)–4Kr (high Kr coverage) and for Ru(0001)–(5 × 5)–Kr (low Kr coverage). The differences between the results for the low and high-coverage cases may clarify puzzles posed by the experimental results of Narloch and Menzel. The low-coverage solution converges to a structure having Kr in the top site at a height of 3.09 Å above the substrate with the adsorption energy 185 meV. In the high-coverage case, adatom unit cells with a corner Kr at top, fcc hollow, and hcp hollow locations are found to have nearly the same adsorption energy of 175 meV. The height of the corner atom above the substrate is found to be 3.35, 3.54, and 3.50 Å for the top, fcc hollow and hcp hollow sites, respectively. These results are explained by demonstrating that there is an enhancement of the substrate electronic density of states at krypton orbital energies in the low-coverage case.     

Luminescence Characterisation of the Reaction System Histidine–KBrO3–Tb(III)–H2SO4

Chemiluminescence of the system containing Tb(III) ions, histidine and bromate ions in acid solution was studied. The kinetic curves and CL emission spectra of the system were discussed. The emission spectrum of the histidine–Tb(III)–KBrO₃–H₂SO₄ system revealed two emission maxima at ∼490 and 550 nm, characteristic of Tb(III) ions. Values of lifetimes of the Eu(III) excited states in Eu(III)–histidine system have shown that the histidine formed ML and ML₂ complexes in neutral solution and did not make them in acidic environment. On the basis of the results, a possible mechanism of reaction system: histidine–Tb(III)–KBrO₃–H₂SO₄ is presented.     

Synthesis and Reactivity of Mg(II)–Fe(II)–Fe(III) Hydroxycarbonates

Green rust-like compounds (GRs) were discovered as natural minerals in various hydromorphic soils, where anoxic conditions allow their stability. They may control some redox processes in aquifers and participate to the transformation of various pollutants. Since Mg(II) cations are present in the fields where GRs were discovered, a partial substitution of Mg(II) to Fe(II) leading to intermediate compounds between GRs and usual Mg(II)–Fe(III) hydroxysalts is suspected. Mg(II)–Fe(II)–Fe(II) hydroxycarbonates can be obtained as intermediate oxidation products of (Mg, Fe)(OH)₂ in carbonate-containing aqueous media obeying to [Fe^II _4(1–x)Mg^II _4x Fe^III ₂(OH)₁₂]²⁺ [CO₃ ^2– nH₂O]^–2. TMS spectra at 12 K are similar to those of GRs, i.e., two quadrupole doublets, one due to Fe(II) with a large isomer shift =1.29 mms^–1 (with respect to -iron at room temperature) and quadrupole splitting E _Q=2.76 mms^–1, the other one due to Fe(III) with smaller hyperfine parameters =0.49 mms^–1 and E _Q=0.44 mms^–1. Fe(II) ions oxidise rapidly into Fe(III) with dissolved O₂. The reactivity is similar to that of Fe(II)–Fe(III) hydroxysalts GR, and thus the potential of Mg(II)–Fe(II)–Fe(III) compounds for reducing pollutants.     

Structures and energetics of BenGen (n = 1–5) and Be2nGen (n = 1–4) clusters

Cluster geometries and energies of Be_nGe_n (n = 1–5) and Be_2nGe_n (n = 1–4) have been examined in theoretical electronic structure calculations. Structure optimisations were carried out using DFT B3LYP/6-31G(2df) and the energies of the optimum geometries were ordered in QCISD(T) calculations. Be and Ge bond to each other and to other atoms of their own kind, creating a great variety of low-energy clusters in a variety of structural types. Comparisons of the germanide clusters with previously explored silicide and carbide structures reveal some structural similarities, but the germanides have much more in common with the beryllium silicides than with the carbides. However, germanide clusters show a greater tendency to form cage-like structures with potential in technological applications.     

Structures,stabilities and electronic properties of manganese oxyfluoride (MnOxFy) species (x + y = 1–4; x,y = 0–4)

In this work, a density functional survey on manganese oxyfluoride (MnO_xF_y) species for x + y = 1–4 is performed, in which an Mn atom interacts simultaneously with O as well as F atoms. The stabilities of all these species are established against dissociation to manganese oxides as well as fluorides and their relative stabilities are also discussed. It is revealed that the most favourable oxidation state of Mn is +4 in its oxyfluorides, same as in fluorides. For the first time, the superhalogen properties of MnOF₃, MnO₃F and MnO₂F₂ species are introduced on the basis of their high electron affinities as compared to halogens. The interaction of MnO₂F₂ superhalogen with an alkali metal (K) is considered via F atoms as well as O atoms which is similar to that in KF and leads to the formation of stable KMnO₂F₂ complex. Thus, this study is expected to motivate theorist to design a new series of superhalogen species using transition metals with mixed F and O ligands, as well as experimentalists to synthesise such novel complex compounds.     

Beltrami–McKeon–Schubert Realizations of osp(1|4) Algebra and Possible Supersymmetric Kinematics

The possible supersymmetric kinematics are presented by the contraction method in different limits from Beltrami–Mc Keon–Schubert realizations of osp(1|4). The connections among the superalgebras are established. The comparison with the superalgebras contracted from Beltrami–Ivanov–Sorini realization is made.     

Non-uniform Fulde–Ferrell–Larkin–Ovchinnikov (FFLO) state

We provide a general review of the properties of the non-uniform superconducting Fulde–Ferrell–Larkin–Ovchinnikov (FFLO) phase. Special emphasis is made on the orbital and crystal structure effects which may result in the quantum transitions between the higher Landau level states and should be responsible for the strong modification of the anisotropy of the critical field. The FFLO-type instability may be also expected in ultracold Fermi gases. In these systems it is caused not by the Zeeman interaction but by the tuning of the population imbalance between two lowest hyperfine states of the atoms. We also briefly discuss their properties.     

Effects of Poly(Propylene Oxide)–Poly(Ethylene Oxide)–Poly(Propylene Oxide) Triblock Copolymer on the Gelation of Poly(Ethylene Oxide)–Poly(Propylene Oxide)–Poly(Ethylene Oxide) Aqueous Solutions

Poly(ethylene oxide)-poly(propylene oxide)–poly(ethylene oxide) ((EO)_n–(PO)_m–(EO)_n) block copolymers, commercially available as Pluronics (BASF Corp.) and Poloxamers (ICI Corp.), have been widely applied in medicine, biochemistry, and other fields because of their ability to form reversible micelles and physical gels in aqueous solution. Generally, for PEO–PPO–PEO block copolymers with higher ethylene oxide concentration, the micellization and gelation in aqueous solution are easier. However, if we introduce the reverse block copolymer PPO–PEO–PPO into PEO–PPO–PEO aqueous solutions, the micellization and gelation of the system will be more complex. In this work, the reverse block copolymer PO₁₄–EO₂₄–PO₁₄ (17R4) was added to the Pluronics EO₂₀–PO₇₀–EO₂₀ (P123), EO₁₀₀–PO₆₅–EO₁₀₀ (F127), and EO₁₃₃–PO₅₀–EO₁₃₃ (F108) aqueous solutions with different molar ratios. The rheological properties of different mixtures were measured to study the additive effect on the gelation behavior. The sol–gel transition temperature of the P123, F127, and F108 solutions shifted to a higher temperature when 17R4 was added to the solutions. In addition, the existence of 17R4 greatly affected the stability of gels. These results help to better understand the gelation of Pluronic aqueous solutions.     

SU(4)×SU(4)禁闭弱作用复合模型

本文对超色群为半单群的亚夸克模型结构作了讨论, 具体构造了一个SU(4)×SU(4)禁闭弱作用复合模型, 模型中给出了三代轻质量的复合粒子.     

Microstructural evolution in Al–Mn–Cu–(Be) alloys

This study investigates the effects of alloying elements on the microstructural evolution of Al-rich Al–Mn–Cu–(Be) alloys during solidification, and subsequent heating and annealing. The samples were characterised using scanning electron microscopy, energy dispersive X-ray spectroscopy, synchrotron X-ray diffraction, time-of-flight secondary-ion mass spectroscopy, and differential scanning calorimetry. In the ternary Al₉₄Mn₃Cu₃ (at%) alloy, the phases formed during slower cooling (≈1?K?s^?1) can be predicted by the known Al–Mn–Cu phase diagram. The addition of Be prevented the formation of Al₆Mn, decreased the fraction of τ₁-Al₂₉Mn₆Cu₄, and increased the fraction of Al₄Mn. During faster cooling (≈1000?K?s^?1), Al₄Mn predominantly formed in the ternary alloy, whereas, in the quaternary alloys, the icosahedral quasicrystalline phase dominated. Further heating and annealing of the alloys caused an increase in the volume fractions of τ₁ in all alloys and Be₄Al (Mn,Cu) in quaternary alloys, while fractions of all other intermetallic phases decreased. Solidification with a moderate cooling rate (≈1000?K?s^?1) caused considerable strengthening, which was reduced by annealing for up to 25% in the quaternary alloys, while hardness remained almost the same in the ternary alloy.     

Proton conductivity,structural and thermal properties of (1–x) CsH2PO4−xBa(H2PO4)2

Physics of the Solid State - The structural, electrotransport, and thermodynamic properties of the (1–x)CsH2PO4−xBa(H2PO4)2 system in a wide range of compositions (x = 0.1–0.4)...     

Artem Isaak Alikhanian (1908–1978) (Biographic Sketch)

A.I. Alikhanian is one of founders of experimental nuclear physics in USSR. Starting and development of the atomic nuclei, cosmic ray, and elementary particle physics in Armenia relates to the name Alikhanian. He created the Aragats and Nor-Amberd high-altitude cosmic stations and the Yerevan Physics Institute. He made an essential contribution into the development of high-energy physics and played a significant role in creation of methods of recording high-energy particles.     

Fabrication and magnetic properties of 4SC(NH_2)_2–Ni_(0.97)Cu_(0.03)Cl_2 single crystals

Single crystals of 4SC(NH2)2–Ni1-xCux Cl2(x = 0.03)(Cu-DTN) containing spin S = 1/2 Cu2+and S = 1 Ni2+cations are synthesized by slow evaporation methods. Structural characterization demonstrates that the Cu-DTN is of a tetrahedral structure with lattice parameter c being 9.0995 ?A, which is 1.32% expansion compared with that of parent material DTN due to the larger radius of the Cu ion. Direct current(DC) susceptibility measurements show that both the antiferromagnetic exchange interaction at low temperature and the large anisotropy of susceptibilities are suppressed after doping the Cu ion, which could be related to the structural distortion and the increase of the super-exchange paths in Cu-DTN.     

Is the (hfac)Cu(I)–(tmvs) bond intrinsically weak?

Density functional theory studies were performed to study the structure and bonding of (hexafluoroacetylacetonate)-copper(I)-(trimethylvinylsilane) [Cu(hfac)(tmvs)], an ideal and important Cu(I)-CVD compound. A popular three-parameter hybrid density functional (B3LYP) with 6-311+G(d,p) and an effective core potential included LanL2DZ basis set was utilized for this purpose. The (hfac)Cu–(tmvs) bond energy of approximately 30?kcal?mol^?1 obtained at the B3LYP/6-311+G(d,p) level of theory reveals that the Cu–olefin bond in Cu(hfac)(tmvs) is not as weak as previously estimated/assumed and, hence, that the substrate plays a vital role in copper film formation from Cu(hfac)(tmvs). Bonding analysis reveals that fairly strong (hfac)Cu–(tmvs) bonding is the result of DCD-model σ-donation and π-back-bonding between the copper and tmvs in Cu(hfac)(tmvs).     

Spectral and Structural Characteristics of Molybdates (Lu1 – xEux)2(MoO4)3

Physics of the Solid State - The structure, the photoluminescence, and IR absorption spectra of solid solutions (Lu1 ‒ xEux)2(MoO4)3 have been studied over a wide range of...     

有机材料(EDT-DSDTFVO)FeCl_4和(EDT-DSDTFVO)GaCl_4的输送现象

通过对有机材料(EDT-DSDTFVO)2FeCl4和(EDT-DSDTFVO)2GaCl4的输送测定,对其电阻率的温度依赖性以及压力效果进行了系统的比较,虽然两类盐的电阻率随着温度的变化行为十分相似,但是其压力效果尤其在高压时表现出明显的差异性。认为这种差异性和π-d相互作用密切相关。在这里,用EDT-DSDTFVO表示ethylenedithiodiselenadithiafulvalenothioquinone-1,3-dithiole methide。