Low temperature structural phase transition in hafnium and zirconium tetrafluoride trihydrates

From time-differential perturbed angular correlation (TDPAC) measurements, the monoclinic and triclinic crystal structures in hafnium and zirconium tetrafluoride trihydrates are found to be present simultaneously in both the compounds. From previous TDPAC and XRD investigations, a monoclinic crystal structure for HfF₄·3H₂O but, for its analogues zirconium compound, a triclinic structure was reported. Contrary to earlier reports, the triclinic fraction in HfF₄·3H₂O is found to be maximum (80%) at room temperature. In fact, the triclinic crystal structure of HfF₄·3H₂O is reported here which was not known prior to this report. In ZrF₄·3H₂O, a strong signal (80–90%) for the triclinic structure is found at room temperature while the monoclinic fraction appears as a weak signal (10–15%). Structural phase transitions in these trihydrate compounds have been observed in the temperature range 298–333 K.     

Stability and electronic properties of carbon in α-Al2O3

The stability and electronic properties of carbon in α-Al₂O₃ are investigated using density functional theory. In the host lattice, the substitutional C prefers the Al site under the O-rich conditions, whereas the O site is preferred by carbon under the Al-rich conditions. The calculated results predict a direct relationship between the thermodynamic and optical transition levels with the degree of the local distortion induced by C in the alumina lattice. We also find C at the O site acts as a charge compensator to stabilize the F⁺ center, thereby enhancing the TL signal at 465 K. Also, C at Al site can serve as electron traps for TL emission process in α-Al₂O₃.     

Physical properties of the cubic spinel LiMn2O4

We have performed an ab initio study of structural, electronic, magnetic, vibrational and thermal properties of the cubic spinel LiMn₂O₄ by employing the density functional theory, the linear-response formalism, and the plane-wave pseudopotential method. An analysis of the electronic structure with the help of electronic density of states shows that the density of states at the Fermi level (N (E_F)) is found to be governed by the Mn 3d electrons with some contributions from the 2p states of O atoms. It is important to note that the contribution of Mn 3d states to N(_EF)$N\left(E_F\right)$ is as much as 85%. From our phonon calculations, we have obtained that the main contribution to phonon density of states (below 250 cm⁻¹) comes from the coupled motion of Mn and O atoms while phonon modes between 250 cm⁻¹ and 375 cm⁻¹ are characterized by the vibrations of all the three types of atoms. The contribution from Li increases rapidly at higher frequency (above 375 cm⁻¹) due to the light mass of this atom. Finally, the specific heat and the Debye temperature at 300 K are calculated to be 249.29 J/mol K and 820.80 K respectively.     

Low-density carbon material modified with pyrolytic carbon

Here we report a physicochemical investigation of low-density carbon materials modified with pyrolytic carbon (PC). Exfoliated graphite (EG) obtained by nitrate expandable graphite thermal destruction was pressed into low-density graphite materials (LDGMs) with densities of 0.045-0.50 g/cm³ and saturated with PC by impact CVI technique. LDGM infiltration with PC leads to sample weight and density growth. The amount of deposited PC strictly depends on synthesis conditions. The maximum surface and volume deposition of PC occurred for samples with density of 0.05 g/cm³. XRD, Raman spectroscopy and scanning electron microscopy revealed that the deposited PC is of smooth laminar (SL) type. Composite thermal conductivity is about 2-3.5 Wt/m K.     

Anomalous temperature dependence of elastic constant c44 in V, Nb, Ta, Pd, and Pt

The anomalous temperature dependence of elastic constant c₄₄ for elements V, Nb, Ta, Pd, and Pt, has been calculated using first-principles theory. It is shown that the variation of elastic constant for simple elements can be approximated as the sum of thermal expansion and electronic components. The thermal expansion contributes the normal linearly decreasing effect to the elastic constant with temperature, while electronic contribution is determined by the unique character of electronic structure of elements and leads to the anomalous effect to the elastic constant with temperature.     

Core-level photoelectron study of indium chains on Si(1 1 1) at 10 K

High-resolution core-level data from the prototypical In/Si(1 1 1) system have been acquired at 10 K. An asymmetric tail in the In 4d spectra reveals a metallic character of the low temperature Si(1 1 1)8 × 2 phase confined to the inner indium rows. The decoupling of the one-dimensional inner indium chains from any metallic environment at ∼10 K suggests a possible Luttinger liquid behavior. At room temperature essentially a broadening of the spectral features is noticed, which appears compatible with a fluctuation scenario.     

Theoretical study of surface plasmons coupling in transition metallic alloy 2D binary grating

The excitation of a surface plasmon polariton (SPP) wave on a metal–air interface by a 2D diffraction grating is numerically investigated. The grating consists of homogeneous alloys of two metals of a formula A_xB_1−x, or three metals of a formula A_xB_yC_z, where A, B and C could be silver (Ag), copper (Cu), gold (Au) or aluminum (Al).It is observed that all the alloys of two metals present a very small change of surface plasmon resonance (SPR) irrespective of composition x. Moreover, the addition of 25% of Al to two metals alloy is insufficient to change the SPR curves. The influence of the different grating parameters is discussed in details using rigorous coupled-wave analysis (RCWA) method. Furthermore, the SPR is highly dependent on grating periods (d_x and d_y) and the height of the grating h. The results reveal that d_x= d_y= 700 nm, h=40 nm and duty cycle w=0.5 are the optimal parameters for exciting SPP.     

Some constructions of biharmonic maps and Chen’s conjecture on biharmonic hypersurfaces

We give several construction methods and use them to produce many examples of proper biharmonic maps including biharmonic tori of any dimension in Euclidean spheres (Theorem 2.2, Corollary 2.3, Corollary 2.4 and Corollary 2.6), biharmonic maps between spheres (Theorem 2.9) and into spheres (Theorem 2.10) via orthogonal multiplications and eigenmaps. We also study biharmonic graphs of maps, derive the equation for a function whose graph is a biharmonic hypersurface in a Euclidean space, and give an equivalent formulation of Chen’s conjecture on biharmonic hypersurfaces by using the biharmonic graph equation (Theorem 4.1) which paves a way for the analytic study of the conjecture.     

加速器高频D电路Q值的计算与测量

 介绍了回旋加速器高频单D型盒D电路Q值的计算与测量方法。重点对Q值的理论计算进行推导，并对计算原理进行说明。然后对计算结果和测量结果进行比较。得出的计算和测量结果基本吻合。误差产生的主要原因是计算过程中的近似和短路片接触电阻的取值，其中短路片接触电阻是一个重要因素，在设计腔体时应引起足够的重视。     

Three-dimensional Monte Carlo simulation of bulk fin field effect transistor

In this paper,we investigate the performance of the bulk fin field effect transistor(FinFET) through a threedimensional(3D) full band Monte Carlo simulator with quantum correction.Several scattering mechanisms,such as the acoustic and optical phonon scattering,the ionized impurity scattering,the impact ionization scattering and the surface roughness scattering are considered in our simulator.The effects of the substrate bias and the surface roughness scattering near the Si/SiO2 interface on the performance of bulk FinFET are mainly discussed in our work.Our results show that the on-current of bulk FinFET is sensitive to the surface roughness and that we can reduce the substrate leakage current by modulating the substrate bias voltage.