Thermal expansion of nanostructured PbS films and anharmonicity of atomic vibrations

The dependences of the coherent scattering region size and thermal expansion coefficient α of a PbS nanofilm on the annealing temperature in the range of 293–473 K and on the duration of annealing at a constant temperature of 423 K have been measured. It has been found that the thermal expansion coefficient α of the PbS nanofilm is almost twice as much as the coefficient α of coarse-grained lead sulfide. It has been shown that the large difference in the coefficients α is associated with the small size of particles in the film, which leads to an increase in the anharmonicity of atomic vibrations. The contribution from the small size of particles to the thermal expansion coefficient of the PbS nanofilm has been evaluated theoretically.     

The importance of the activation volume for the description of the molecular dynamics of glass-forming liquids

High pressure dielectric measurements were carried out on hydrogen bonded d-glucose and two van der Waals peracetyl saccharides, i.e. α pentaacetyl glucose and α octaacetyl maltose. In this study we found that after removing H bonds, the molecular dynamics of both modified saccharides is very sensitive to pressure, as reflected by a large value of the pressure coefficient of the glass transition temperature, equal to 270 K GPa(-1) and 280 K GPa(-1) for α pentaacetyl glucose and α octaacetyl maltose, respectively. On the other hand, dT(g)/dP for d-glucose is much lower, equal to 67 K GPa(-1). Our result confirms the general rule that the hydrogen bonding glass-forming liquids exhibit much lower values of dT(g)/dP compared to the van der Waals systems. Additionally, on the basis of results reported herein and also recent literature data for polyalcohols, we point out that the activation volume correlates fairly well with the molecular volume in the case of hydrogen bonding liquids. On the other hand, much larger values of the activation volumes at T(g) with respect to the molecular volumes were found for both peracetyl saccharides.     

Hydrogen induced changes in the crystal structure and magnetic properties of UCoGe

Hydrogen pressure of 0.5-140 bar has been applied to synthesize hydrides of UCoGe. Besides an α hydride crystallizing in the structure type of the parent compound, which loses the weak ferromagnetism found in pure UCoGe, two distinctly different β hydrides were identified. The almost pure β hydride (UCoGeH(1.7)) is a ferromagnet below T(C) = 50 K. The highest H(2) pressures (> 130 bar) produce admixture of another hydride called β' hydride, with less H/f.u. and T(C) = 8 K, obtained presumably as a decay product of a full hydride UCoGeH(2.0) unstable at ambient conditions. The value of the Sommerfeld coefficient of electronic specific heat γ increases over 100 mJ mol(-1) K(-2) for the magnetic hydrides.     

Nanoscale combined reactions: non-equilibrium α-Co formation in nanocrystalline ϶-Co by abnormal grain growth

Electrodeposited nanocrystalline Co offers a relatively unique opportunity to study the interaction of two fundamentally different elementary solid state reactions: grain growth and ε (HCP) to α (FCC) allotropic phase transformation. Samples were isothermally annealed at temperatures above and below the equilibrium transformation temperature (T_εα?=?695?K) and quenched to ambient for subsequent characterization by X-ray diffraction (XRD) and transmission electron microscopy (TEM). Isothermal annealing above 695?K resulted in concurrent grain growth and ε to α transformation. Unexpectedly, however, simultaneous grain growth and ε to α transformation also occurred during isothermal annealing at temperatures as low as 573?K, i.e. 122?K below the expected equilibrium T_εα. It was observed that non-equilibrium α-Co formed within a matrix of nanocrystalline ε-Co via abnormal grain growth, and is therefore fundamentally different from the ε to α transformation typically observed in conventional polycrystalline Co.     

Temperature dependence of the quenching of N<Subscript>2</Subscript> (C <Superscript>3</Superscript>Π<Subscript>u</Subscript>) by N<Subscript>2</Subscript> (X) and O<Subscript>2</Subscript> (X)

The temperature dependences of the quenching rate constants of the states N₂ (${\rm C} \ {^{3}{ \rm \Pi }_{u}}${\rm C} \ {^{3}{ \rm \Pi }_{u}} v^′=0,1) by N₂ (X) and of the state N₂ (${\rm C} \ {^{3}{ \rm \Pi }_{u}} \ v^{\prime}=0${\rm C} \ {^{3}{ \rm \Pi }_{u}} \ v^{\prime}=0) by O₂ (X) are studied. Time-resolved light emission from the gas was analyzed in the temperature range from 300 K to 210 K keeping the gas at constant density. In case of quenching by N₂ (X), the quenching rate constant for the vibrational level v^′= 0 increases by (13 ±3)% with gas cooling whereas the quenching rate constant for v^′= 1 decreases by (5.0 ±2.5)% in this temperature range. For quenching by O₂ (X), the quenching rate constant decreases by (3 ±2)% with gas cooling. The temperature variation of the N₂ (C ³Π_u v^′=0) emission intensity for pure nitrogen and dry air are calculated using the obtained quenching rate constants and is compared with the experimental data available in the literature.     

The 38 K transition in TTF-TCNQ viewed as a percolation phenomenon

The d.c. conductivity, static dielectric constant and thermopower of TTF-TCNQ have been calculated for temperatures below 54 K within a self-consistent effective medium approximation. TTF-TCNQ is assumed to consist of small regions which are semiconducting and others which are highly conducting. The conducting regions have a large negative dielectric constant, a large d.c. conductivity and a negative thermopower; the semiconducting portions have a large positive dielectric constant, an activated d.c. conductivity and a large positive thermopower. The volume fraction of conductor increases from zero at T = 0 to unity at 54 K. The model is the first to reproduce the observed metal-insulator transition (e.g. the d.c. conductivity anomaly) near 38 K. The dielectric constant is calculated to rise initially with temperature and then become negative as the temperature increases above 38 K. The thermopower changes sign below 54 K and increases very rapidly at 38 K.     

Die Szintillations-Anisotropie von Anthrazen bei tiefen Temperaturen. II

Continuing previous work the scintillation anisotropy of anthracene bombarded with α particles has been measured as a function of temperature between 1.9 and about 80° K. With all crystal specimens investigated a pronounced minimum has been found between 20 and 30° K. The anisotropy is constant below about 9° K, whereas the light yield still increases with decreasing temperature down to 1.9° K. The light yield has been found to be a nonlinear function of the temperature.     

NΩ束缚态问题的研究

从夸克 反夸克通过介子场耦合的模型出发研究了(N)LST是否存在束缚态的问题. 计算表明当考虑了u(d)湮灭K*为介子的机制后, (N)LST是有可能形成结合能较大的束缚态. The structures of (N)LST systems are studied in the SU(3)quark model， in which the coupling between quark antiquark and the meson fields are included. A resonating group method (RGM) calculation shows that (N)0212could be a bound state with considerably large binding energy， when the mechanism of u(d) annihilation to K* is considered.     

Size effect in the spin glass magnetization of thin AuFe films as studied by polarized neutron reflectometry

We used polarized neutron reflectometry to determine the temperature dependence of the magnetization of thin AuFe films with 3% Fe concentration. We performed the measurements in a large magnetic field of 6 T in a temperature range from 295 to 2 K. For the films in the thickness range from 500 to 20 nm we observed a Brillouin-type behavior from 295 K down to 50 K and a constant magnetization of about 0.9 micro(B) per Fe atom below 30 K. However, for the 10 nm thick film we observed a Brillouin-type behavior down to 20 K and a constant magnetization of about 1.3 micro(B) per Fe atom below 20 K. These experiments are the first to show a finite-size effect in the magnetization of single spin-glass films in large magnetic fields. Furthermore, the ability to measure the deviation from the paramagnetic behavior enables us to prove the existence of the spin-glass state where other methods relying on a cusp-type behavior fail.     

Investigation of Pendant Group and Chain Segment Motions in P(MMA/BA) Copolymers by Thermally Stimulated Depolarization Current

Poly(methyl methacrylate/butyl acrylate) [P(MMA/BA)] copolymers (M_η ～2×10⁵) with different mass percentages of MMA were synthesized by the method of solution polymerization. Thermally stimulated depolarization current (TSDC) technique was used to investigate the effect of copolymerization on pendant group and chain segment motions. Three TSDC peaks were observed over the temperature range from 310 to 400 K. The highest temperature, ρ peak originates from the detrapping of trapped charge carriers. The lower temperature, α peak corresponds to the glass transition. The activation energy of the α relaxation decreases from 1.2 eV for PMMA to 0.98 eV for MMA(75)/BA(25). In the fitting process, another peak, β′, is separated on the low temperature side. The apparent energy barrier of the β′ for PMMA is 0.80 eV. The β′ relaxation is thought to correspond to the motion of pendant groups including intra‐ and inter‐molecular interactions. All three peaks move to lower temperatures with an increase in BA component, and the activation energy for the α and β′ relaxations also decreases with the increase of BA component in copolymers, indicating that the flexible side groups of BA have an effect of plasticization on the glass transition and motion of pendent groups. The temperatures of the α and β′ peaks of P(MMA/BA) copolymers follow the Fox equation. Fitting results gives the α peak at 238 K and β′ peak at 225 K for polybutyl acrylate (PBA).     

Structure and properties of copolyaspartate. III. Dielectric studies of copoly(butyl-L-aspartate-benzyl-L-aspartate)

The side-chain molecular motion of the α helix, ω helix, and β form of copoly(butyl-L-aspartate-benzyl-L-aspartate) with degrees of butylation 0%, 25%, and 43% was investigated by means of dielectric relaxation. Copoly(butyl-L-aspartate-benzyl-L-aspartate) with butylation 0% and 25% has a left-handed α helix, and, on the contrary, that of the 43% copolymer is a right-handed α helix. These two a helices transformed into the left-handed ω helix, with stacking between the benzyl groups, or between benzyl and butyl groups, or between butyl groups when heated to 140°C. The dielectric constant decreased at the α-ω transition temperature, irrespective of frequency. In particular, a remarkable decrease of dielectric constant was observed to accompany the reversal in helix sense. The ω-β transformation was observed at about 180°C by further heating, accompanied by an abrupt increase in dielectric constant. The side-chain dispersion temperature was in the following order: T(ω) ? T(β) < T(α). Relatively free rotation of the side chain for the ω helix is possible, although the side-chain molecular motion, the side-chain dispersion, is restricted by the stacking of the side chain in the ω helix. The side-chain molecular motion of the α helix, rotation of the benzene ring, is hindered by the presence of δ O and ? CH₂ atoms of the residue above and below the benzene ring.     

由加性和乘性噪声驱动的非对称双稳系统的随机共振

根据信噪比理论，研究了由乘性和加性白噪声以及周期矩形信号共同作用的非对称双稳系统的随机共振。推导出了信噪比的解析表达式，并且该表达式适用于任意的信号振幅。数值分析表明乘性噪声强度D和加性噪声强度α对信噪比的影响是不同的：对应于任意的一个非对称系数r的值，SNR-α 曲线比SNR-D曲线更容易出现随机共振。即当系统的双阱不是很不对称的时候，改变加性噪声比改变乘性噪声更容易产生随机共振。此外，势井的非对称性能够减小信噪比。     

A numerical study of periodic sandwich propellants with oxygenated binders

We examine sandwich propellants constructed from sheets of pure ammonium perchlorate (AP) interleaved with an AP/binder blend, and construct solutions numerically using a code that fully couples gas-phase and solid-phase processes via an unsteady moving interface. This code has been used elsewhere to simulate the burning of random packs of spherical AP particles embedded in binder. We show that for a stoichiometric configuration, variations of the burning rate with α (a measure of the oxygenation of the AP/binder blend) are not monotonic, but display a weak maximum; and variations of the burning rate with sandwich thickness are monotonic for small α, but display a minimum for large α (e.g. α?=?0.5). When the equivalence ratio is varied, the burning rate displays a maximum on the fuel-lean side when α is small, on the fuel-rich side when α is large. These results, and the manner in which the sandwich topography varies with the different parameters, suggest that the configuration could be invaluable for validating the model ingredients and parameter values of heterogeneous propellant combustion codes.     

Radiative transfer in the lyman α spectral line with self-consistent electron velocity distribution

Radiative transfer in the Ly α spectral line in a stationary, plane-parallel plasma of constant temperature and electron density is studied using model H-atoms with only two bound levels and a continuum. For this purpose, the equation of radiative transfer is solved simultaneously with the steady-state equations of the atomic levels and the kinetic equation of the electrons. The numerical results indicate that, in hydrogen plasmas with temperatures T ? 12,000°K and electron densities n_e ? 10¹⁶cm^?3, the high-energy tail of the electron velocity distribution deviates from a Maxwell distribution, even in cases of rather large optical thicknesses and that therefore the deviations from local thermodynamic equilibrium are increased compared with estimates based on the assumption of a Maxwellian electron velocity distribution. This qualitative conclusion should hold in spite of some deficiencies of the model which are discussed.     

钛酸锶晶体的光致介电常数激增以及超顺电大极化子理论

钙钛矿类化合物钛酸锶具有明显的光致介电增长的性质,这是由于被光激发至Ti⁴⁺的3d能带上的电子具有良好的巡游特性,为了进一步揭示光致介电增长的微观机理,这里假设巡游电子同时与两类声子发生耦合作用,一方面,电子与A_1g模式的晶格呼吸子发生强相互作用,另一方面,电子还与T_1u模式的非简谐声子具有相对较弱的耦合.通过变分法计算可得,这种复杂的电声耦合作用在晶体中形成两种极化子:自陷极化子和超顺电大极化子.正是由于超顺电大极化子的形成,导致了光致介电激增的现象.     

Effect of temperature on the dislocation structure of the ordered alloy Ni3(Fe,Cr)

Transmission electron microscopy is used to study the dislocation structure of ordered polycrystalline Ni₃(Fe, Cr) alloy after deformation at temperatures of 293, 473, 673, and 773°K. The flow stress σ is plotted as a function of the density of dislocations ρ. It is observed that there is a direct proportionality between σ and ρ^1/2, which indicates that the relation τ= αGbρ^1/2 is satisfied, where τ is the shear stress, G is the shear modulus, b is the Burgers vector, and α is a coefficient weakly dependent on the density of dislocations. The values of α are found for different deformation temperatures from the slope of the lines. It is found that α decreases with increasing deformation temperature. When the temperature is increased from 293 to 773°K the reduction in α is about 20% in agreement with estimates of the resistance to motion by superdislocations caused by nonconservative drag of dislocation jogs.     

Correlated giant dielectric peaks and antiferromagnetic transitions near room temperature in pure and alkali-doped BaMnO(3-δ)

We report structural, magnetic, dielectric and thermal properties of single-crystal BaMnO(2.99) and its derivatives BaMn(0.97)Li(0.03)O(3) and Ba(0.97)K(0.03)MnO(3). The hexagonal 15R-BaMnO(2.99) perovskite phase is a known antiferromagnetic insulator that orders at a Néel temperature T(N) = 220 K. We find dilute Li and K doping change the ratio of cubic to hexagonal layers and cause drastic changes in the dielectric and magnetic properties. Unusually large high-temperature magnetoelectric shifts (up to 85%) are observed near temperatures at which pronounced peaks in the dielectric constant are observed for applied electric fields along either the c or a axis, respectively. The temperatures of the dielectric peaks are strongly correlated with anomalies in the c- or a-axis magnetic susceptibility and the specific heat for all compositions studied. All our data suggest that the strongly anisotropic magnetic and dielectric anomalies (which occur near, or above room temperature) originate from the same Mn ion sites, which implies these materials form an exceptional class of magnetoelectrics.     

混合磁性薄膜矫顽力及阶梯效应的微磁学及Monte Carlo研究

采用能量极小原理的微磁学及Monte Carlo方法对铁磁/反铁磁混合磁性薄膜的磁特性进行了模拟计算，研究了基态下系统的磁滞回线、自旋组态及铁磁交换作用常数JAA、单轴各向异性常数K、偶极相互作用常数D和铁磁性原子掺杂量X对矫顽力Hc的影响. 同时还模拟计算了矫顽力Hc的温度特性.模拟结果表明，在混合磁性薄膜中磁滞回线存在明显的阶梯效应，利用简单的Ising模型揭示这种阶梯效应主要起源于包含不同反铁磁原 子的掺杂量的不同尺寸的原子团对外加磁场所产生不同响应；在基态下当0.5≤X≤1.0时矫顽力Hc随K，J 关键词： 蒙特卡罗 微磁学 阶梯效应 混合磁系统 矫顽力