Isochoric temperature coefficient of surface tension andS o-parameter of quasi-spherical molecular liquids

The Sharma parameterS _o which is characteristic of molten alkali halides and polymers has also been shown to be characteristic of a wide variety of liquids. Calculated data using the volume expansivity of the liquid establish the constancy of theS _o-parameter which retains, on an average, a constant value of 1·11 for quasi-spherical molecular liquids. It is shown thatS _o-parameter is also related to volume expansivity of the surface layer of the liquid, temperature coefficient of surface tension of liquids and describes the temperature and volume or pressure dependence of thermodynamic Grüneisen parameter and isochoric heat capacity with significant contribution for influencing the thermoacoustic and surface tension properties of liquids.     

Effect of substitution of Ce on superconducting properties of Bi1.7Pb0.3Sr2Ca2−x Ce x Cu3O10+δ system

We have investigated the superconducting properties of the Bi_1.7 Pb_0.3Sr₂Ca_2−xCe _x Cu₃O_10+δ system with x=0.00, 0.02, 0.04, 0.08 and 0.1 by X-ray diffraction and magnetic susceptibility. The substitution of Ce for Ca has been found to drastically change the superconducting properties of the system. X-ray diffraction studies on these compounds indicate decrease in the c-parameter with increased substitution of Ce at Ca site and volume fraction of high T _c (2 : 2 : 2 : 3) phase decreases and low T _c phase increases. The magnetic susceptibility of this compound shows that the diamagnetic on set superconducting transition temperature (onset) varies from 109 K to 51 K for x=0.00, 0.02, 0.04, 0.08 and 0.1. These results suggest the possible existence of Ce in a tetravalent state rather than a trivalent state in this system; that is, Ca²⁺ → Ce⁴⁺ replacement changes the hole carrier concentration. Hole filling is the cause of lowering T _c of the system.     

Effects of L-spin longitudinal quadrupolar relaxation in heteronuclear recoupling and S-spin magic-angle spinning NMR

In experiments on S–L heteronuclear spin systems with evolution of the S-spin magnetization under the influence of a quadrupolar nucleus (L-spin), effects of longitudinal quadrupolar (T_1Q) relaxation of the L-spin coherence on the sub-millisecond time scale have been documented and explored, and methods for minimizing their effect have been demonstrated. The longitudinal relaxation results in heteronuclear dephasing even in the reference signal S₀ of S{L} REDOR, REAPDOR, RIDER, or SPIDER experiments, due to T_1Q-relaxation of the transiently generated S_yL_z coherence, reducing or even eliminating the observable dephasing ΔS. Pulse sequences for measuring an improved reference signal S₀₀ with minimal heteronuclear recoupling but the same number of pulses as for S₀ and S have been demonstrated. From the observed intensity ΔS₀ = S₀₀ − S₀ and the SPIDER signal ΔS/S₀, T_1Q can be estimated. Accelerated decays analogous to the dipolar S₀ curves will occur in T₂ measurements for J-coupled S–L spin pairs. Even in the absence of recoupling pulses, fast T_1Q relaxation of the unobserved nucleus shortens the transverse relaxation time T_2S,MAS of the observed nucleus, in particular at low spinning frequencies, due to unavoidable heteronuclear dipolar evolution during a rotation period. The observed spinning-frequency dependence of T_2S,MAS matches the theoretical prediction and may be used to estimate T_1Q. The effects are demonstrated on several ¹³C{¹⁴N} spin systems, including an arginine derivative, the natural N-acetylated polysaccharide chitin, and a model peptide, (POG)₁₀.     

Influence of the sample orientation in Sn<Subscript>2</Subscript>P<Subscript>2</Subscript>S<Subscript>6</Subscript> crystals on the hydrostatic piezoelectric coefficients

The influence of the sample orientation on the effective value of the hydrostatic piezoelectric coefficients d _h ⁽ⁱ⁾ of Sn₂P₂S₆ crystals has been studied. The hydrostatic piezoelectric coefficients d _h ⁽¹⁾ and d′ _h ⁽³⁾ , were measured, d _h ⁽¹⁾ =(244±3) pC/N and d′ _h ⁽³⁾ =(92±1) pC/N. The hydrostatic piezoelectric coefficient d _h ⁽³⁾ for orthogonal axis system was calculated to be d _h ⁽³⁾ =(87±2) pC/N. The, optimal orientation of the sample has been found as (Xy l)−20°-cut. Maximal value of the effective hydrostatic piezoelectric coefficient d _h ⁽¹⁾ equals 260 pC/N. Double rotated samples were also studied. The orientation of the samples insensitive to the pressure has been found. The theoretical mean value of hydrostatic piezoelectric coefficient (d _h ) _mean corresponding to randomly oriented Sn₂P₂S₆ grains in a poled composite has been calculated to be (d _h ) _mean =136 pC/N.     

A new high-pressure polymorph of Ti2O3: implication for high-pressure phase transition in sesquioxides

The post-corundum phase transition has been investigated in Ti₂O₃ on the basis of synchrotron X-ray diffraction in a diamond anvil cell and transmission electron microscopy. The new polymorph of Ti₂O₃ was found at about 19 GPa and 1850 K, and this phase was stable even at about 40 GPa. A new polymorph of Ti₂O₃ can be indexed on a Pnma orthorhombic cell, and the unit-cell parameters are a=7.6965 (19) Å, b=2.8009 (9) Å, c=7.9300 (23) Å, V=170.95 (15) Å³ at 19 GPa, and a=7.8240 (2) Å, b=2.8502 (1) Å, c=8.1209 (3) Å, V=181.10 (1) Å³ at ambient conditions. The Birch–Murnaghan equation of state yields K ₀=206 (3) GPa and K′₀=4 (fixed) for corundum phase, and K ₀=296 (4) GPa and K′₀=4 (fixed) for the post-corundum phase. The molar volume decreases by 12% across the phase transition at around 20 GPa. The structural identification was carried out on a recovered sample by the Rietveld method, and a new polymorph of Ti₂O₃ can be identified as Th₂S₃-type rather than U₂S₃-type structure. The transition from corundum-type to Th₂S₃-type structure accompanies the drastic change of the form of polyhedron: from TiO₆ octahedron in the corundum-type to TiO₇ polyhedron in the Th₂S₃-type structures.     

几种典型背景中Green-Schwarz超弦的κ-对称性

Metsaev和Tseytlin(MT)给出的AdS₅S⁵背景中Green-Schwarz(GS) IIB超弦的Polyakov作用量可以写成等价的Nambu-Goto形式.对于这种形式，给出了新的与靶空间的流有关的投影算子，并用其构造了使作用量不变的局域κ-变换.κ-对称性的这种新方案是由Schwarz对于GS模型提出的.由于MT模型与GS模型有所不同，文中所构造的局域κ-变换有一些新的特点，且适用于其他类似于MT模型的系统.文中分别以AdS₅S¹背景中IIB弦及Polyakov新提出的模型为例，构造了κ-对称性的靶空间形式. 关键词： Green-Schwarz超弦 κ-对称性')" href="#">κ-对称性 AdS₅S⁵')" href="#">AdS₅S⁵ AdS₅S¹')" href="#">AdS₅S¹     

AlxGa1-xN/GaN双量子阱的结构和掺杂浓度对子带间跃迁波长和吸收系数的影响

用薛定谔方程和泊松方程自洽计算的方法研究了Al_0.75Ga_0.25N/GaN对称双量子阱(DQWs)中子带间跃迁(ISBT)的波长和吸收系数对中间耦合势垒高度、中间耦合势垒宽度、势阱宽度和势垒掺杂浓度的依赖关系.研究发现,第一奇序子带S_1ood与第二偶序子带S_2even ISBT波长随着中间耦合势垒高度的降低而变短.当中间耦合势垒高度高于0.62 eV时,S_{1odd< 关键词： 自洽 x}Ga_1-xN/GaN双量子阱')" href="#">Al_xGa_1-xN/GaN双量子阱 子带间跃迁     

Reduced anti-ferromagnetism promoted by Zn 3d substitution at CuO2 planar sites of Cu0.5Tl0.5Ba2Ca3Cu4O12−δ superconductors

The role of charge carriers in ZnO₂/CuO₂ planes of Cu_0.5Tl_0.5Ba₂Ca₃Cu_4−yZn_yO_12−δ material in bringing about superconductivity has been explained. Due to suppression of anti-ferromagnetic order with Zn 3d¹⁰ (S=0) substitution at Cu 3d⁹ sites in the inner CuO₂ planes of Cu_0.5Tl_0.5Ba₂Ca₃Cu₄O_12−δ superconductor, the distribution of charge carriers becomes homogeneous and optimum, which is evident from the enhanced superconductivity parameters. The decreased c-axis length with the increase of Zn doping improves interlayer coupling and hence the three dimensional (3D) conductivity in the unit cell is enhanced. Also the softening of phonon modes with the increased Zn doping indicates that the electron–phonon interaction has an essential role in the mechanism of high-T_c superconductivity in these compounds.     

Pressure effect on mechanical stability and ground state optoelectronic properties of Li2S2 produced by Lithium−Sulfur batteries discharge: GGA-PBE,GLLB-SC and mBJ investigation

ABSTRACT

According to several previous works, Li₂S₂ occurs during discharge of lithium–sulfur (Li–S) batteries. Several information on the physical properties of this compound remain unknown including those of its ground state. In this work, a study of the pressure effect on the elastic and optoelectronic properties of Li₂S₂ in its tetragonal structure of P4₂/mnm space group was carried out. According to the previous works and according to the structural results, which have been obtained by GGA-PBE and optPBE-vdW funtionals, we have found that P4₂/mnm-Li₂S₂ energy is the lowest compared to other studied structures (P6₃/mmc, P-62m and Immm), this can indicate that P4₂/mnm space group structure may represent its ground state structure. The study of the pressure effect on the elastic properties has shown that P4₂/mnm-Li₂S₂ maintains its mechanical stability for a pressure range between 0 and 2.5?GPa. The study of the directional dependence of Young's modulus has shown that it is anisotropic and therefore indicates the elastic anisotropy of the studied compound. According to the electronic results, the fundamental band-gap of P4₂/mnm-Li₂S₂ is of an indirect nature, its values found by mBJ and GLLB-SC are close to each other. The pressure effect on the possible transitions between the valence band top and the conduction band bottom and on the variations of the refractive index and the absorption coefficient according to both optical directions has been studied by determining the dielectric function. The found optical results have shown that P4₂/mnm-Li₂S₂ has negative uniaxial birefringence.     

Effects of Fe2+ substitution on magnetic and dielectric properties of CdCr2S4

The magnetic and dielectric properties of polycrystalline Cd_{1 - x}Fe_xCr₂S₄ (0 ≤ x ≤ 0.9) are investigated. Upon substitution of Cd by Fe, the Curie temperature (T_C) is increased while the saturation magnetization is decreased. A low doping level of Fe increases the permittivity, while a high doping level decreases the permittivity, which is explained by the internal barrier layer capacitor model. Kinks are observed in the temperature-dependent permittivity and loss tangent near T_C for the samples with x= 0.5, 0.7, 0.9, implying the existence of the magnetodielectric effect. Furthermore, with the increase of Fe content, a decrease of anomaly deviation rate induced by internal molecular field is revealed in the permittivity, while an increase is observed for the loss tangent.     

Voice F0 responses to pitch-shifted auditory feedback: a preliminary study

Auditory feedback has been suggested to be important for voice fundamental frequency (F₀) control. The present study featured a new technique for testing this hypothesis by which the pitch of a subject's voice was modulated, fed back over earphones, and the resultant change in the emitted voice F₀ was measured. The responses of 67 normal, healthy young adults were recorded as they attempted to ignore intermittent upward or downward shifts in pitch feedback while they sustained steady vowel sounds (/a/) or sang musical scales. Ninety-six percent of subjects increased their F₀ when the feedback pitch was decreased, and 78% of subjects decreased their F₀ when the pitch feedback was increased. Latencies of responses ranged from 104 to 223 ms. Results indicate people normally rely on pitch feedback to control voice F₀.     

Co(S1-xSex)2系统中的铁磁量子相变

针对Co(S_1-xSe_x)₂系统在x=0.11附近发生的铁磁金属到顺磁金属相变,制备了一系列不同Se替代浓度的多晶样品.通过对其结构和电阻率-温度ρ(T)关系的系统观测,结果发现,样品铁磁相变温度T_C随着Se替代浓度x值的增加,以(1-x)^1/2关系单调下降,其二级铁磁相变转变为一级相变 关键词： 量子相变 自旋量子涨落 1-xSe_x)₂')" href="#">Co(S_1-xSe_x)₂     

Magnetic entropy change and large refrigerant capacity of Ce6i2Si3-type GdCoSiGe compound

Magnetic entropy change (Δ S_M) and refrigerant capacity (RC) of Ce₆Ni₂Si₃-type Gd₆Co_1.67Si_2.5Ge_0.5 compounds have been investigated. The Gd₆Co_1.67Si_2.5Ge_0.5 undergoes a reversible second-order phase transition at the Curie temperature T_C = 296 K. The high saturation magnetization leads to a large Δ S_M and the maximal value of Δ S_M is found to be 5.9 J/kg,cdot,K around T_C for a field change of 0--5 T. A broad distribution of the Δ S_M peak is observed and the full width at half maximum of the Δ S_M peak is about 101 K under a magnetic field of 5 T. The large RC is found around T_C and its value is 424 J/kg.     

The size distribution for theA g RB f−g Model of polymerization

This paper gives the equilibrium distribution of polymer sizes for Flory'sA _g RB _f–g model of polymerization. In this model, the polymers are composed of structural units withg functional groups of the typeA and (f-g) functional groups of the typeB. Reaction is subject to three conditions: (1) Functional groups of the typeA react only with those of typeB, and vice versa. (2) Intramolecular reactions do not occur [and therefore only branched-chain (noncyclic) polymers and formed]. (3) Subject to conditions (1) and (2), all functional groups are equally reactive. The derivation employs Stockmayer's statistical mechanical method (first used on Flory'sRA _f model), coupled with a recursion giving the number of distinct polymers which may be assembled fromk units of theA _g RB _f–g type. We also give distributions for a limiting case of theA _g RB _f–g model, the so-calledA _g RB model. This paper completes the solution of the Smoluchowski coagulation equation (monodisperse case) for the kernelsa _ij =A + B(i +j)+ Cij. The proof will be given in another publication.     

Unusual Pathways of Triplet State Dynamic Relaxation in Meso-Aryl-Substituted Porphyrins and Their Chemical Dimers at 295 K

It was found that mono- and di-meso-phenyl substitution in octaethylporphyrins (OEP)and their chemical dimers with the phenyl ring as a spacer manifests itself in the dramatical shortening of T₁ state lifetimes at 295 K (from 1.5 ms down to 2–5 s in degassed toluene solutions). On the other hand, this substitution does not influence spectral-kinetic parameters of S₀ and S₁ states. The enhancement of the T₁ state non-radiative deactivation is explained by torsional librations of the phenyl ring around a single C-C bond in sterically encumbered OEP molecules leading to non-planar dynamic distorted conformations in the excited T₁ states. For these compounds with electron-accepting NO₂-groups in the meso-phenyl ring the strong non-radiative deactivation of S₁ and T₁ states (by 2–3 orders of magnitude) is observed upon the displacement of NO₂-group from para-to ortho-position of the phenyl ring. The S₁ state quenching is caused by the direct intramolecular electron transfer to low-lying CT state of the radical ion pair (the normal region, non-adiabatic case presumably, V = 130–190 cm^–1 in dimethylformamide). The additional deactivation of the T₁ state is connected with thermally activated transitions to upper-lying CT states as well as the strengthening of intersystem crossing probabilities.     

Structural and mechanical properties of MoS2–Ix nanotubes and Mo6SxIy nanowires

Using a scanning probe microscope, we investigate the structure, electronic and mechanical properties of MoS₂–I_x nanotubes and Mo₆S_xI_y nanowires. The electronic properties are interestingly very sensitive to the stoichiometry of the nanowires, which can be controlled by adjusting the synthesis conditions. In addition to that, we find also remarkable mechanical properties where molecules can be cut and recombined or deformed without any loss of structural integrity. We demonstrate this by deforming Mo₆S_xI_y nanowires to highly strained configurations without causing irreversible changes to their structures. The rupturing and/or welding process of these nanowires, using AFM manipulation, shows that the molecules stretch to more than 30% of its relaxed configuration before plastic deformation occurs.     

Observation of rf SQUID characteristics in YBCO bulk at 77 K

RF SQUID behaviour due to grain boundary weak links in a bulk YBCO is observed at 77 K using modified commercial rf electronics. Porous samples with lowI _c are found to show this characteristic whereas dense samples with higherI _c do not show SQUID behaviour.V-B modulation characteristic is found to be better when the rf pumping frequency is kept slightly higher than the resonance frequency of the tank circuit. Designing of coil for tank circuit with appropriateQ has been found to be very crucial for seeing the SQUID behaviour. Estimation of parameters such as coupling constant, mutual inductance, inductance and radius of the SQUID loop, have been made and their significance is discussed. Flux noise spectrum of the bulk rf SQUID in flux locked mode is also reported.     

NMR Study on Coexistence of Magnetic Order and Superconductivity in RuSr2GdCu2O8

Electronic and magnetic properties of RuSr₂GdCu₂O₈ have been investigated by resistivity, magnetization and NMR measurements. Magnetic order (T _C=133 K) and superconducting transition (T _S(onset) 52 K) have been confirmed in RuSr₂GdCu₂O₈. We observed two kinds of Ru-NMR signals (the hyperfine fields of ¹⁰¹Ru are 590 kOe and 290 kOe), suggesting a possible charge segregation of Ru⁴⁺(S=1) and Ru⁵⁺(S=3/2) in the RuO₂ layers. Holes can be inherently doped in the CuO₂ layers from the (Ru⁴⁺, Ru⁵⁺)O₂ layers, and the superconductivity can occur under weak magnetic interactions between Ru and Cu spins in RuSr₂GdCu₂O₈.     

Positron beam studies on polyaniline and Ag-coated polyaniline

The effect of doping of the polyaniline emeraldine base (PEB), with Ni as well as Ni over layer coating has been investigated using variable low energy positron beam. Depth-resolved Doppler S-parameter measurements have been performed on undoped, Ni-doped polyaniline (PANI), and Ag (40 nm) film deposited PANI samples. Significant variation in S-parameter is observed for undoped and Ni-doped PANI. The size of the free volume hole has shifted to lower values upon doping with Ni as compared to that of undoped PANI, which is consistent with the conductivity measurements. For Ag-coated PANI systems, the S vs. E_p curves show distinct changes at the surface and interior regions. These results are discussed in the light of changes in free volume hole size distribution.     

光源附近空间分辨漫反射的SP3研究

根据P₃近似对半无限生物组织的空间分辨漫反射理论,研究了强吸收条件下光源附近 光辐射分布的简化表达式SP₃函数.研究表明:组织吸收越强, SP₃函数越能准确描述光源附近空间 分辨漫反射;应用SP₃函数反演强吸收组织光学参数时,由不同起始距离的漫反射数据拟合得到的反演 结果曲线存在极值,极值附近对应的反演结果最接近实际组织光学参数.