The Role of Radical Bridges in Polynuclear Single-Molecule Magnets

Employing radical bridges between anisotropic metal ions has been a viable route to achieve high-performance single-molecule magnets (SMMs). While the bridges have been mainly considered for their ability to promote exchange interactions, the crystal-field effect arising from them has not been taken into account explicitly. This lack of consideration may distort the understanding and limit the development of the entire family. To shed light on this aspect, herein we report a theoretical investigation of a series of N -radical-bridged diterbium complexes. It is found that while promoting strong exchange coupling between the terbium ions, the N -radical induces a crystal field that interferes destructively with that of the outer ligands, and thus reduces the overall SMM behavior. Based on the theoretical results, we conclude that the SMM behavior in this series could be further maximized if the crystal field of the outer ligands is designed to be collinear with that of the radical bridge. This conclusion can be generalized to all exchange-coupled SMMs.     

The one-dimensional Hubbard model for large or infiniteU

The magnetic properties of the one-dimensional Hubbard model with a hardcore interaction on a ring (periodic boundary conditions) are investigated. At finite temperatures it is shown to behave up to exponentially small corrections as a pure paramagnet. An explicit expression for the ground-state degeneracies is derived. The eigenstates of this model are used to perform a perlurbational treatment for large but finite interactions. In first order inU ¹ an effective Hamiltonian for the one-dimensional Hubbard model is derived. It is the Hamiltonian of the one-dimensional Hcisenberg model with antiferromagnetic couplings between nearest neighbor spins. An asymptotic expansion for the ground-state energy is given. The results are valid for arbitrary densities of electrons.     

The study of the influence of uniaxial stress on impurity complexes in silicon

The influence of external uniaxial stress on the different indium-donor complexes in silicon has been studied using the perturbed γ –γ angular correlation (PAC) method. Such effect of an applied stress is detected by means of the probe atoms situated at different complexes in the sample. The current results showed that the responses of the probes in an extrinsic silicon samples are found to be dissimilar for the same value of stress. Such change in the local environments of the probe atoms could be associated with the various strain field created by the implantations of varied size of impurities. The phosphorous implantation in silicon has even lead to the complete absence of observable effect of the applied stress suggesting significant lose of the elasticity of the sample.     

Numerical simulations of a filament in a flowing soap film

Experiments concerning the properties of soap films have recently been carried out and these systems have been proposed as experimental versions of theoretical two‐dimensional liquids. A silk filament introduced into a flowing soap film, was seen to demonstrate various stable modes, and these were, namely, a mode in which the filament oscillates and one in which the filament is stationary and aligns with the flow of the liquid. The system could be forced from the oscillatory mode into the non‐ oscillatory mode by varying the length of the filament. In this article we use numerical and computational techniques in order to simulate the strongly coupled behaviour of the filament and the fluid. Preliminary results are presented for the specific case in which the filament is seen to oscillate continuously for the duration of our simulation. We also find that the filament oscillations are strongly suppressed when we reduce the effective length of the filament. We believe that these results are reminiscent of the different oscillatory and non‐oscillatory modes observed in experiment. The numerical solutions show that, in contrast to experiment, vortices are created at the leading edge of the filament and are preferentially grown in the curvature of the filament and are eventually released from the trailing edge of the filament. In a similar manner to oscillating hydrofoils, it seems that the oscillating filaments are in a minimal energy state, extracting sufficient energy from the fluid to oscillate. In comparing numerical and experimental results it is possible that the soap film does have an effect on the fluid flow especially in the boundary layer where surface tension forces are large. Copyright © 2004 John Wiley & Sons, Ltd.     

切伦柯夫相互作用中分段式慢波结构与均匀慢波结构的比较研究

 分析了切伦柯夫束波相互作用中使用单段慢波结构的缺点。指出在分段式慢波结构中，漂移段及其两端的慢波结构组成一Bragg谐振腔，当漂移段长度合适时，根据渡越时间效应理论，这种结构能减小调制束中电子的速度分散，提高束波转化效率。通过粒子模拟方法，比较了均匀慢波结构与分段式慢波结构中束波相互作用的物理图像，验证了理论分析结果，并说明了后者有束密度群聚充分，束电子速度分散小，产生微波功率高、频谱质量好，最佳工作电流大，输入电功率高等优点。     

Ground-state complex formation of perylene with pyromellitic dianhydride studied by static fluorescence quenching

The association of complex formation with static quenching in CT systems was investigated. Evaluation of the data made evident that the inner filter effect must be allowed for. Time-resolved and temperature-dependent stationary measurements of fluorescence led to the separation of dynamic and static quenching components. The static quenching constant is discussed with respect to the equilibrium constant of complex formation determined by absorption spectroscopy.     

“Slow” active control of combustion instabilities by modification of liquid fuel spray properties

This paper describes an experimental investigation of the feasibility of using “slow” active control approaches, which “instantaneously” change liquid fuel spray properties, to suppress combustion instabilities. The objective of this control approach was to break up the feedback between the combustion process heat release and combustor pressure oscillations that drive the instability by changing the characteristics of the combustion process (e.g., the characteristic combustion time). To demonstrate the feasibility of such control, this study used a proprietary fuel injector (Nanomiser^TM), which can vary its fuel spray properties, to investigate the dependence of acoustics–combustion process coupling, i.e., the driving of combustion instabilities, upon the fuel spray properties. This study showed that by changing the spray characteristics it is possible to significantly damp combustion instabilities. Furthermore, using combustion zone chemiluminescence distributions, which were obtained by Abel’s deconvolution synchronized with measured acoustic data, it has been shown that the instabilities were mostly driven midway between the combustor centerline and wall, a short distance downstream from the flame holder, where the mean axial flow velocity is approximately zero in the vortex near the flame holder. The results of this study strongly suggest that a “slow” active control system that employs controllable fuel injectors could be effectively used to prevent the onset of detrimental combustion instabilities.     

Quantitative Comparison of REAPDOR and TRAPDOR Experiments by Numerical Simulations and Determination of H–Al Distances in Zeolites

Quantitative H–Al distances in acid sites of two zeolites with MFI and IFR framework topology were obtained by numerical simulation of ¹H{²⁷Al} rotational echo adiabatic passage double resonance (REAPDOR) experiments. A ²⁷Al offset-dependent data set yields for each resolved ¹H NMR line a corresponding nuclear electric quadrupole coupling constant of the neighboring ²⁷Al site. This information is used for analyzing a second data set for on-resonance irradiation, where the dipolar evolution time (number of rotor cycles) was varied, to yield the ¹H–²⁷Al dipolar coupling constant. Numerical simulations indicate that the REAPDOR method does not depend significantly on the polar angles, defining the orientation of the electric field gradient tensor of ²⁷Al with respect to the Al–H dipolar vector. In contrast, the transfer of populations in double resonance sequence is sensitive to these angles, and it can be thus used to measure them.     

The LPCTrap experiment: measurement of the β–ν angular correlation in 6He using a transparent Paul trap

We report on the status of the LPCTrap experiment, devoted to measure the β–ν angular correlation in the pure Gamow–Teller decay of ⁶He. This measurement is motivated by the search for the presence of tensor type contributions to the weak interaction. The ⁶He ions are confined in a novel transparent Paul trap. The β particles and the recoil ions are detected in coincidence to deduce the angular correlation parameter. The commissioning run performed in 2005 has given the proof of principle of this experiment. Up to 10⁵ coincidences were recorded during a second run in 2006.     

The elastic theory of a single DNA molecule

We study the elastic responses of double-(ds) and single-stranded (ss) DNA at external force fields. A double-strand-polymer elastic model is constructed and solved by path integral methods and Monte Carlo simulations to understand the entropic elasticity, cooperative extensibility, and supercoiling property of dsDNA. The good agreement with experiments indicates that short-ranged base-pair stacking interaction is crucial for the stability and the high deformability of dsDNA. Hairpin-coil transition in ssDNA is studied with generating function method. A threshold force is needed to pull the ssDNA hairpin patterns, stabilized by base pairing and base-pair stacking, into random coils. This phase transition is predicted to be of first order for stacking potential higher than some critical level, in accordance with experimental observations.