Effect of deprotonation on the magnetic exchange coupling constant of fluorene‐based verdazyl diradical: A computational study

The magnetic behavior of the fluorene bridged verdazyl diradicals has been studied theoretically in their neutral and deprotonated states. The deprotonation of C9‐H site of the fluorene ring opens a new coupling pathway, which changes the nature of magnetic coupling. The transmission spectra analysis reveals that the transmission through fluorine has also increased due to the opening of a new coupling path after deprotonation.     

h-BN型超晶格等离子体光子晶体能带特性研究

六方氮化硼(h-BN)晶格结构是一种类六方对称复式超晶格结构。具有h-BN晶格构型的光子晶体以其宽光子带隙特点受到国内外学者的广泛关注。本文利用不同尺度低压气体放电管与Al₂O₃介质棒周期性排列，构建了新型h-BN型超晶格等离子体光子晶体，实现其空间结构和等离子体参数的动态调控。利用微波透射谱对比研究了h-BN型超晶格与简单三角晶格等离子体光子晶体禁带位置、宽度和数目。分析了放电电流、介质棒阵列数对不同频段光子带隙的影响，以及电磁波入射角度对电磁传输特性的影响。结果表明：等离子体的引入不仅能够形成新的光子带隙，而且可以选择性地使部分禁带位置发生移动；相对于简单三角晶格，h-BN型超晶格等离子体光子晶体呈现出更多光子带隙；Al₂O₃介质棒阵列数对等离子体光子晶体禁带位置、宽度和数目均具有重要影响。电磁波入射角度变化越大，电磁传输特性差别越显著，透射谱相关性越差。本文所设计的新型h-BN型超晶格等离子体光子晶体为制作可调谐光子晶体提供了新的思路，在微波和太赫兹波控制领域具有潜在应用价值。     

Azimuthal orientational correlations due to excluded volume epitaxy in growing anisotropic grains

The microstructure of anisotropically shaped grains can strongly influence a range of material properties, including transport, mechanical and electro-optical. A grain-structure-related phenomenon, known as excluded volume epitaxy (EVE), is reported in this study. EVE is a local, inter-grain orientational correlations effect, which results from a combination of continuous nucleation of anisotropic grains and impingement of growing grains. Due to EVE, anisotropically shaped grains have a tendency to be similarly aligned in a local neighbourhood, despite the absence of any forced global orientation in the sample. The effect has been repeatedly observed by the authors in block copolymers, as illustrated by a representative TEM image. Optical microscopy of anisotropically shaped non-polymeric crystals revealed the generality of this effect. The simulation study revealed a tendency for azimuthal, inter-grain orientational correlation and re-confirmed the experimental observation of EVE.     

Heavy‐Atom Tunneling Calculations in Thirteen Organic Reactions: Tunneling Contributions are Substantial,and Bell's Formula Closely Approximates Multidimensional Tunneling at ≥250 K

Multidimensional tunneling calculations are carried out for 13 reactions, to test the scope of heavy‐atom tunneling in organic chemistry, and to check the accuracy of one‐dimensional tunneling models. The reactions include pericyclic, cycloaromatization, radical cyclization and ring opening, and S_N2. When compared at the temperatures that give the same effective rate constant of 3×10⁻⁵ s⁻¹, tunneling accounts for 25–95 % of the rate in 8 of the 13 reactions. Values of transmission coefficients predicted by Bell's formula, κ_Bell , agree well with multidimensional tunneling (canonical variational transition state theory with small curvature tunneling), κ_SCT. Mean unsigned deviations of κ_Bell vs. κ_SCT are 0.08, 0.04, 0.02 at 250, 300 and 400 K. This suggests that κ_Bell is a useful first choice for predicting transmission coefficients in heavy‐atom tunnelling.     

Extraordinary acoustic transmission,symmetry, blaschke products and resonators

The phenomenon of extraordinary acoustic transmission ( eat) in a resonator, which has recently been investigated experimentally, is studied theoretically. It is shown that the combination of a single propagating mode and a symmetry orthogonal to the direction of propagation for a resonator leads to eat. This is accomplished by decomposing the problem using symmetry, the Blaschke product and the properties of functions of a single complex variable which have modulus one on the real axis. The conditions of a resonator requires that the solution has singularities in the analytic extension to complex frequencies (resonances) and it is precisely near these resonances that we observe eat. The condition of a Blaschke product requires that there is a zero at the complex conjugate of the singularity and eat occurs when the solution on the real axis passes between these complex conjugate pairs of poles and zeros. A detailed numerical study of the problem is conducted and we show that once the single mode of propagation or the symmetry is broken then eat (at least perfect transmission) no longer holds generally.     

Sound transmission from stiffened double laminated composite plates

An analytical model is developed to investigate the sound transmission loss from orthogonally rib-stiffened double laminated composite plates structure under a plane sound wave excitation, in which first order shear deformation theory is presented for laminated composite plates. By using the space harmonic approach and virtual work principle, the sound transmission loss is described analytically. The validity and feasibility of the model are verified by comparing the present theoretical predictions with numerical results published previously. The influences of structure geometrical parameters on sound transmission loss are subsequently presented. Through numerical results, it can be concluded that the proposed analytical model is accurate and simple in solving the vibroacoustic behavior of an orthogonally rib-stiffened double laminated composite plates.     

Concurrent formation of two different type precipitation-free zones during the initial stage of homogenization

Transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy were used to study the microstructure evolution of Al–Cu–Mg alloy during the initial stage of homogenization. It was found that two types of precipitation-free zones (PFZs) can form concurrently: one near grain boundaries and the other at the grain centres. Depth profile analyses of solute concentrations and dislocation-loop distributions strongly suggested that the formations of the two type of PFZs are different, due solely and exclusively to solute and vacancy depletion, respectively. A mechanism model was proposed to explain the concurrent formation of the two different type of PFZs during the initial stage of homogenization.     

TEM investigation of the formation mechanism of deformation twins in Fe–Mn–Si–Al TWIP steels

The microstructure of a Fe–Mn–Si–Al twinning-induced plasticity (TWIP) steel exhibiting remarkable work hardening rate under uniaxial tensile deformation was investigated using transmission electron microscopy to uncover the mechanism(s) controlling the nucleation and growth of the mechanically induced twins. The results show that the stair-rod cross-slip deviation mechanism is necessary for the formation of the twins, while large extrinsic stacking faults homogenously distributed within the grains could act as preferential sources for the activation of the deviation process. The influence of such features on the thickness and strength of the twins and the resulting mechanical behaviour is discussed and compared to similar works recently performed on Fe–Mn–C TWIP steels.     

Role of Ag addition in L10 ordering of FePt-based nanocomposite magnets

The FePt system has important perspectives as high-temperature corrosion-resistant magnets. In the form of rapidly solidified melt-spun ribbons, FePt-based magnets may exhibit in certain cases a two-phase hard–soft magnetic behaviour. The present paper deals with a microstructural and magnetic study of FePtAgB alloys with increasing Ag content. The aim is to identify and confirm the effect of Ag addition in decreasing the temperature of the FePt disorder–order structural phase transformation. A detailed high-resolution transmission electron microscopy study is employed, and the alternative disposal of hard and soft regions within the two-phase microstructure is observed and interpreted with respect to the X-ray diffraction results. In the as-cast Ag-containing samples, it is shown that there is an optimum of the Ag content for which best magnetic properties are obtained. Ag addition creates a nonlinear behaviour of the coercive field and the ordering parameter, similar to the RKKY interaction-induced interlayer exchange coupling (IEC) observed in magnetic layers separated by non-magnetic spacer layers. Direct formation of the L1₀ phase from the as-cast state in the FePtAgB alloys is reported with magnetic parameters compatible to other exchange spring permanent nanomagnets. These findings open novel perspectives into utilization of such alloys in applications requiring magnets operating in high-temperature industrial environments.     

Electron radiation damage in copper in the high voltage electron microscope

The various factors influencing the nucleation of radiation damage in the HVEM are reviewed. A method for obtaining quantitative information from observations is given. The effect of reirradiation at room temperature on the damage formed at elevated temperatures is shown. This effect may give experimental information concerning the strain fields surrounding large dislocation loops.