Thermal and complex impedance analysis of amorphous and crystalline lithium salt mixtures

Amorphous electrolytes consisting of the lithium salts, Li[R-NSO₂CF₃] were prepared and the attendant low ionic conductivities of the lithium salt mixtures (1×10⁻⁶ S cm⁻¹ at room temperature) are attributed to high glass transition temperatures. An example is the novel amorphous salt, Li[18-C-6NSO₂CF₃] which produces an amorphous salt mixture with Li[N(SO₂CF₃)₂] (LiTFSI).     

Computation and conversion of brain pH values obtained with two algorithms of phosphorus magnetic resonance spectroscopy data analysis

The intracellular brain pH in phosphorus magnetic resonance spectroscopy is calculated using the chemical shift between the inorganic phosphate and phosphocreatine with the Henderson–Hasselbalch equations. Researchers use various mathematical formulas that have different parameters and get various results for the same input data as a consequence. Thus, the aim of this article was to determine the mathematical formulas that allow the conversion of the pH values obtained by the most popular analysis methods to each other. To determine the relationships between pH results and the applied mathematical formula, the pH values were calculated using two algorithms for the theoretical chemical shift values. The pH results were compared with each other using the appropriate t-tests. Mathematical formulas were designed to simplify the conversion of pH values obtained by two data analysis methods to each other. The pH values with were obtained this way did not differ significantly from the pH values calculated directly from the given formula. The computed mathematical formulas will make it possible to simplify pH conversions without knowing the chemical shift between inorganic phosphate and phosphocreatine but only basing on the final pH values obtained by one of the formulas.     

高温超导带材交流损耗的数值计算与分析

高温超导带材在许多领域得到越来越广泛的应用。交流损耗计算对于高温超导带材具有重要意义。该文介绍了两种交流损耗的数值计算模型,并以其中一种模型为例,对带材的交流损耗进行计算,与Norris公式计算结果作了比较,证明结果有效。最后提出了交流损耗数值计算中存在的问题。     

Sound propagation in forests: A comparison of experimental results and values predicted by the Nord 2000 model

The purpose of the work described in this paper is twofold: (i) to present the results of an experimental investigation of the sound attenuation in different types of forest, and (ii) to validate a part of the Nord 2000 model. A number of measurements have been carried out in regular and irregular forests with trees with deciduous and evergreen leaves, different tree density, different trunk diameter, etc. The experimental results indicate that trees have a noticeable effect on sound propagation at medium and high frequencies at distances longer than 40 m. The Nord 2000 model uses a simple algorithm to predict scattering effects when sound propagates in outdoor spaces with obstacles. The comparison of experimental results and predictions shows that the Nord 2000 model predicts the ground effect dip in forests with acceptable accuracy in about 60% of the cases if the flow resistivity of the ground is allowed to vary with distance. The high frequency effect of trees is in general not predicted very well.     

Comparison of statistical multifragmentation model simulations with canonical thermodynamic model results: A few representative cases

The statistical multifragmentation model (SMM) has been widely used to explain experimental data of intermediate energy heavy ion collisions. A later entrant in the field is the canonical thermodynamic model (CTM) which is also being used to fit experimental data. The basic physics of both the models is the same, namely that fragments are produced according to their statistical weights in the available phase space. However, they are based on different statistical ensembles, and the methods of calculation are different: while the SMM uses Monte Carlo simulations, the CTM solves recursion relations. In this Letter we compare the predictions of the two models for a few representative cases.     

考虑弯曲和轴向振动模态的一维梁压电阻抗模型及试验研究

同时考虑一维梁结构的弯曲和轴向振动,对其压电阻抗模型进行建模分析和试验验证。在0.02～42 kHz频段内区分并标记了一维钢梁弯曲振动模态前18阶及轴向振动模态前3阶。结果表明:在0.02～7.5kHz频段内,数值计算和试验结果中谐振峰对应频率的相对误差较大:11.7%～16.5%,其原因可能是低频时振动能量较低且波的传播受结构阻尼、边界条件及环境噪音等因素影响较为明显;在7.5～42kHz范围内,两者谐振峰位置符合良好,相对误差较小:0.11%～2.31%,表明该模型在高频段具有较好的适用性;轴向振动模态对应频率大于弯曲振动模态。本研究为结构健康监测过程中检测频段的选取及损伤信息的提取提供参考。     

The effects of aircraft on climate and pollution. Part I: Numerical methods for treating the subgrid evolution of discrete size- and composition-resolved contrails from all commercial flights worldwide

This paper provides and evaluates mass conservative, positive-definite, unconditionally-stable, and non-iterative numerical techniques for simulating the evolution of discrete, size- and composition-resolved aerosol and contrail particles in individual aircraft exhaust plumes in a global or regional 3-D atmospheric model and coupling the subgrid exhaust plume information to the grid scale. Such treatment represents a new method of simulating the effects of aircraft on climate, contrails, and atmospheric composition. Microphysical processes solved within each plume include size-resolved coagulation among and between aerosol and contrail particles and their inclusions, aerosol-to-hydrometeor particle ice and liquid nucleation, deposition/sublimation, and condensation/evaporation. Each plume has its own emission and supersaturation, and the spreading and shearing of each plume’s cross-section are calculated as a function of time. Aerosol- and contrail-particle core compositions are tracked for each size and affect optical properties in each plume. When line contrails sublimate/evaporate, their size- and composition-resolved aerosol cores and water vapor are added to the grid scale where they affect large-scale clouds. Algorithm properties are analyzed, and the end-result model is evaluated against in situ and satellite data.     

Single half-wavelength ultrasonic particle filter: predictions of the transfer matrix multilayer resonator model and experimental filtration results

The quantitative performance of a "single half-wavelength" acoustic resonator operated at frequencies around 3 MHz as a continuous flow microparticle filter has been investigated. Standing wave acoustic radiation pressure on suspended particles (5-microm latex) drives them towards the center of the half-wavelength separation channel. Clarified suspending phase from the region closest to the filter wall is drawn away through a downstream outlet. The filtration efficiency of the device was established from continuous turbidity measurements at the filter outlet. The frequency dependence of the acoustic energy density in the aqueous particle suspension layer of the filter system was obtained by application of the transfer matrix model [H. Nowotny and E. Benes, J. Acoust. Soc. Am. 82, 513-521 (1987)]. Both the measured clearances and the calculated energy density distributions showed a maximum at the fundamental of the piezoceramic transducer and a second, significantly larger, maximum at another system's resonance not coinciding with any of the transducer or empty chamber resonances. The calculated frequency of this principal energy density maximum was in excellent agreement with the optimal clearance frequency for the four tested channel widths. The high-resolution measurements of filter performance provide, for the first time, direct verification of the matrix model predictions of the frequency dependence of acoustic energy density in the water layer.     

一维电磁脉冲模拟器的理论分析和设计

 为解决一维导体结构的电磁脉冲响应实验困难，提出了一维电磁脉冲模拟器的概念，并从理论上对电磁脉冲在一维结构上的感应电流进行了计算，结果分析说明了建立一维电磁脉冲模拟设备的可行性，并对该模拟器设计中的几个问题进行了讨论。     

Numerical analysis of the output power of the injection-locked cw Ti:sapphire lasers

The optimization analysis of the output power of the injection-locked cw Ti:sapphire lasers is presented based on the fact that the injection-locked and free-running lasers almost have the same maximum output power. With the modified Ti:sapphire laser model, the dependences of the threshold and slope efficiency on the ring cavity and crystal parameters are studied through the numerical calculations, which clarify the roles of various parameters in affecting the output power. Our calculated results are in good agreement with the reported experimental data for the laser at 756 nm. Therefore our numerically calculated results could be used as a guideline for designing and optimizing such kind of the lasers.     

Solid-state NMR studies of the crystalline and amorphous domains within PEO and PEO: LiTf systems

Solid polymer electrolytes (SPEs) contain amorphous and crystalline regions, each of which have unique contributions to the ¹³C NMR spectrum. Understanding and assigning the ¹³C NMR signals are vital to interpreting the NMR data collected for each phase. The ¹³C CPMAS solid-state NMR spectrum of poly(ethylene oxide), a common polymer electrolyte host material, has superimposed broad and narrow components. Previously, the narrow component has been assigned to the amorphous region and the broad component to the crystalline PEO fraction. These assignments for pure PEO have been applied to various PEO:salt systems. Using lithium triflate salt dissolved in PEO, we revisit the spectral assignments and discover that the narrow component is due to crystalline PEO:LiTf component, which is reversed from the previous pure PEO assignment. This paradigm shift is based on data collected from a 100% crystalline PEO:LiTf with a 3:1 oxygen:lithium ratio sample, which exhibited only the narrow peak. For dilute electrolytes, such as 20:1 PEO:LiTf, the ¹³C CPMAS spectra contain the narrow peak superimposed on a broad peak as seen with pure PEO. As dilute electrolytes are heterogeneous with crystalline and amorphous regions of both pure PEO and PEO:LiTf complex, peak assignments for pure PEO and PEO:LiTf are important. Thus, we reexamine the previous assignment for pure PEO using samples of pure powdered PEO, thermally treated pure powdered PEO, and a thin film PEO cast from an acetonitrile solution. With these different samples, we observed the growth of the narrow peak under conditions that favor crystallization. Therefore, for pure PEO, we have reassigned the narrow peak to the crystalline region and the broad peak to the amorphous region. In light of our observations, previous NMR studies of pure PEO and PEO SPEs should be reinvestigated. We also use rotational echo double resonance (REDOR) to study the 20:1 PEO:LiTf created from 2 and 100 kDa PEO. We find that the lithium environment is similar in the respective microcrystalline domains. However, the 100 kDa samples have a larger fraction of pure crystalline PEO.     

Effect of crystalline lens surfaces and refractive index on image quality by model simulation analysis

The surfaces and refractive index of crystalline lens play an important role in the optical performance of human eye.On the basis of two eye models,which are widely applied at present,the effect of lens surfaces and its refractive index distribution on optical imaging is analyzed with the optical design software ZEMAX (Zemax Development Co.,San Diego,USA).The result shows that good image quality can be provided by the aspheric lens surfaces or (and) the gradient-index (GRIN) distribution.It has great potential in the design of intraocular lens (IOL).The eye models with an intraocular implantation are presented.     

Infrared extinction by homogeneous particle aggregates of SiC, FeO and : Comparison of different theoretical approaches

Particle shape and aggregation have a strong influence on the spectral profiles of infrared phonon bands of solid dust grains. Calculating these effects is difficult due to the often extreme refractive index values in these bands. In this paper, we use the discrete dipole approximation (DDA) and the T-matrix method to compute the absorption band profiles for simple clusters of touching spherical grains. We invest reasonable amounts of computation time in order to reach high dipole grid resolutions and take high multipolar orders into account, respectively. The infrared phonon bands of three different refractory materials of astrophysical relevance are considered—silicon carbide, wustite and silicon dioxide. We demonstrate that even though these materials display a range of material properties and therefore different strengths of the surface resonances, a complete convergence is obtained with none of the approaches. For the DDA, we find a strong dependence of the calculated band profiles on the exact dipole distribution within the aggregates, especially in the vicinity of the contact points between their spherical constituents. By applying a recently developed method to separate the material optical constants from the geometrical parameters in the DDA approach, we are able to demonstrate that the most critical material properties are those where the real part of the refractive index is much smaller than unity.     

Characteristics pathlength Fresnel number equations and ideal lens wavefront Kirchhoff formulation: analysis of focused spherical wave diffraction fields

Derivation and applications of the characteristics optical pathlength Fresnel number equation for spherical waves focused by an ‘ideal’ circular lens illustrate the wealth of information which is quickly available from its use. A Kirchhoff wavefront diffraction formulation of this problem is developed and used to aid in this analysis. New characteristics about the diffraction field are revealed.     

Comparison of analytical and numerical analysis of the reference region model for DCE-MRI

This study compared three methods for analyzing DCE-MRI data with a reference region (RR) model: a linear least-square fitting with numerical analysis (LLSQ-N), a nonlinear least-square fitting with numerical analysis (NLSQ-N), and an analytical analysis (NLSQ-A). The accuracy and precision of estimating the pharmacokinetic parameter ratios K_R and V_R, where K_R is defined as a ratio between the two volume transfer constants, K^trans,TOI and K^trans,RR, and V_R is the ratio between the two extracellular extravascular volumes, v_e,TOI and v_e,RR, were assessed using simulations under various signal-to-noise ratios (SNRs) and temporal resolutions (4, 6, 30, and 60 s). When no noise was added, the simulations showed that the mean percent error (MPE) for the estimated K_R and V_R using the LLSQ-N and NLSQ-N methods ranged from 1.2% to 31.6% with various temporal resolutions while the NLSQ-A method maintained a very high accuracy (< 1.0×10^− 4 %) regardless of the temporal resolution. The simulation also indicated that the LLSQ-N and NLSQ-N methods appear to underestimate the parameter ratios more than the NLSQ-A method. In addition, seven in vivo DCE-MRI datasets from spontaneously occurring canine brain tumors were analyzed with each method. Results for the in vivo study showed that K_R (ranging from 0.63 to 3.11) and V_R (ranging from 2.82 to 19.16) for the NLSQ-A method were both higher than results for the other two methods (K_R ranging from 0.01 to 1.29 and V_R ranging from 1.48 to 19.59). A temporal downsampling experiment showed that the averaged percent error for the NLSQ-A method (8.45%) was lower than the other two methods (22.97% for LLSQ-N and 65.02% for NLSQ-N) for K_R, and the averaged percent error for the NLSQ-A method (6.33%) was lower than the other two methods (6.57% for LLSQ-N and 13.66% for NLSQ-N) for V_R. Using simulations, we showed that the NLSQ-A method can estimate the ratios of pharmacokinetic parameters more accurately and precisely than the NLSQ-N and LLSQ-N methods over various SNRs and temporal resolutions. All simulations were validated with in vivo DCE MRI data.     

The D state of I2: a case study of statistical error propagation in the computation of RKR potential curves, spectroscopic constants, and Franck-Condon factors

Existing spectroscopic data for the ion-pair state of I₂ are reanalyzed with the primary goal of improving and extending to higher υ the rotational constants B_υ. To this end, data for several precisely known (υ,J) levels in the υ=203-207 region are analyzed together with vibrational and rotational data from a number of sources. The lack of rotational data for the υ=130-200 region makes the structure of this data set unusual, and has prompted a thorough study of the propagated statistical error in the directly fitted spectroscopic constants, T_υ and B_υ, and in the RKR potential curve calculated therefrom. For the first time, such error propagation computations have been extended to properties computed by numerical solution of the Schrödinger equation for the state in question: the quantum vibrational energy G_υ and rotational constant B_υ, centrifugal distortion constants D_υ and H_υ, and Franck-Condon factors for the D-X transition.     

First-principles predictions of anisotropies in elasticity and sound velocities of CsCl-type refractory intermetallics: TiTM,ZrTM and HfTM (TM = Fe,Ru, Os)

ABSTRACT

Structural properties, elastic properties, sound velocities and Debye temperatures of CsCl-type refractory TiTM, ZrTM and HfTM (TM?=?Fe, Ru, Os) intermetallics were investigated using first-principles calculations. The calculated equilibrium lattice parameters are coincided with the reported experimental and theoretical data. Based on single-crystal elastic constants, polycrystalline elastic moduli, Poisson’s ratios, sound velocities and Debye temperatures were evaluated. Anisotropies in elastic moduli of these CsCl-type intermetallics were discussed by elastic anisotropy indexes, three-dimensional surface constructions and their projections, and directional elastic modulus. The results showed that ZrFe has the highest elastic anisotropy and ZrOs presents the lowest one. Finally, sound velocities, Debye temperatures and their anisotropies were also calculated and discussed.     

Hysteresis behavior of the random-field Ising model with 2-spin-flip dynamics: exact results on a Bethe lattice

We present an exact treatment of the hysteresis behavior of the zero-temperature random-field Ising model on a Bethe lattice when it is driven by an external field and evolved according to a 2-spin-flip dynamics. We focus on lattice connectivities z=2 (the one-dimensional chain) and z=3. For the latter case, we demonstrate the existence of an out-of-equilibrium phase transition, in contrast with the situation found with the standard 1-spin-flip dynamics. We discuss the influence of the degree of cooperativity of the (local) spin dynamics of the nonequilibrium response on the system.