Expedient BINOL derivative arylations

A dramatic improvement of our previous methodology based on a Suzuki–Miyaura cross-coupling to access 3,3′-disubstituted H₈-BINOLs using microwave heating is reported herein. These new conditions represent a large gain in term of atom-economy, reaction time, catalyst loading, and excess of reagents employed.     

An improved multimodal method for sound propagation in nonuniform lined ducts

An efficient method is proposed for modeling time harmonic acoustic propagation in a nonuniform lined duct without flow. The lining impedance is axially segmented uniform, but varies circumferentially. The sound pressure is expanded in term of rigid duct modes and an additional function that carries the information about the impedance boundary. The rigid duct modes and the additional function are known a priori so that calculations of the true liner modes, which are difficult, are avoided. By matching the pressure and axial velocity at the interface between different uniform segments, scattering matrices are obtained for each individual segment; these are then combined to construct a global scattering matrix for multiple segments. The present method is an improvement of the multimodal propagation method, developed in a previous paper [Bi et al., J. Sound Vib. 289, 1091-1111 (2006)]. The radial rate of convergence is improved from O(n(-2)), where n is the radial mode indices, to O(n(-4)). It is numerically shown that using the present method, acoustic propagation in the nonuniform lined intake of an aeroengine can be calculated by a personal computer for dimensionless frequency K up to 80, approaching the third blade passing frequency of turbofan noise.     

Plumes and waves in two-dimensional turbulent thermal convection

We have conducted a high-resolution, two-dimensional direct numerical simulation of Rayleigh-Bénard convection with stress-free and periodic boundary conditions at a Rayleigh (Ra) number of 10(8) and Prandtl (Pr) number of unity. An aspect-ratio three box has been considered. A single cell has been used as the initial condition. First, the flow develops into time-dependent convection with a strong asymmetry and highly convoluted thermal plumes delineating a large-scale circulation. Smaller thermal plumes detach from the boundary layer and extend over the entire cell, creating a local inversion of the temperature gradient adjacent to the boundary layers. Then the conditions leading to the formation of internal waves are fulfilled, as the local Richardson number decreases sufficiently small to cross the linear threshold of Ri=0.25. Together with the strong shear, convective rolls with a Kelvin-Helmholtz wavelike character are produced. The secondary boundary layer itself becomes unstable and produces smaller plumes. At later times, the large-scale circulation is destroyed and the internal waves disappear. A Reynolds number, based on the global scale, of Re=500, is attained at this stage. Only isolated thermal plumes and vortices are present. Thus, internal waves can be generated at finite Prandtl number fluids for sufficiently high Ra in the presence of a large-scale circulation. Spectral analysis reveals that the kinetic energy decays with a logarithmic slope of -3, while the logarithmic slope of the thermal variance has a value of around -5 / 3.     

On-Surface Synthesis and Characterization of Acene-Based Nanoribbons Incorporating Four-Membered Rings

A bottom up method for the synthesis of unique tetracene-based nanoribbons, which incorporate cyclobutadiene moieties as linkers between the acene segments, is reported. These structures were achieved through the formal [2+2] cycloaddition reaction of ortho-functionalized tetracene precursor monomers. The formation mechanism and the electronic and magnetic properties of these nanoribbons were comprehensively studied by means of a multitechnique approach. Ultra-high vacuum scanning tunneling microscopy showed the occurrence of metal-coordinated nanostructures at room temperature and their evolution into nanoribbons through formal [2+2] cycloaddition at 475 K. Frequency-shift non-contact atomic force microscopy images clearly proved the presence of bridging cyclobutadiene moieties upon covalent coupling of activated tetracene molecules. Insight into the electronic and vibrational properties of the so-formed ribbons was obtained by scanning tunneling microscopy, Raman spectroscopy, and theoretical calculations. Magnetic properties were addressed from a computational point of view, allowing us to propose promising candidates to magnetic acene-based ribbons incorporating four-membered rings. The reported findings will increase the understanding and availability of new graphene-based nanoribbons with high potential in future spintronics.     

Tuning of nanotube mechanical resonances by electric field pulling

We show here that field emission (FE) can be used to directly observe the vibration resonances nu(R) of carbon nanotubes (CNTs) and that the tension created by the applied field allows the tuning of these resonances by up to a factor of 10. The resonances are observable by the changes they create in the FE pattern or the emitted FE current. The tuning is shown to be linear in voltage and to follow from the basic physics of stretched strings. The method allows one to study the mechanical properties of individual multiwall carbon nanotubes within an ensemble and follow their evolution as the CNTs are modified. The tuning and detection should be useful for nanometric resonant devices.     

Maslov form and J-volume of totally real immersions

On every totally real submanifold Mⁿ of ⁿ, one can define a Maslov class analogous to the one defined for the Lagrangian submanifolds of ⁿ. We define here a closed 1-form, expressed in terms of the extrinsic local geometric invariants of Mⁿ and the complex structure of ⁿ, whose cohomology class is the Maslov class of Mⁿ. This generalizes to the totally real case, the result of Morvan (1981). This 1-form can still be defined if the ambient space ⁿ is substituted by a Kahler manifold , but it is not closed in general. However, we can build a variational problem on the space of totally real immersions, whose critical points are totally real submanifolds whose form defined above vanishes identically. In the case where , we give a characterization and many examples of such submanifolds. Finally we study the second variation and prove a stability result for the critical submanifolds of a Kahler manifold with non-positive Ricci tensor. This extends the well-known results on Lagrangian submanifolds of      

Pierre Turq,an inspirational scientist in charge and at interfaces

Pierre Turq has made decisive contributions to the theory and to the multiscale simulation of charged systems, such as molten salts, electrolyte solutions and colloidal suspensions, in the bulk, at interfaces and under confinement. His research line focussed on dynamical properties and was characterised by constant efforts to connect his theoretical work to both experiments and practical applications. In this article, his colleagues and former students pay a tribute to his past and current research interests by illustrating some recent developments accomplished in his laboratory.     

Superintegrability in Two Dimensions and the Racah–Wilson Algebra

The analysis of the most general second-order superintegrable system in two dimensions: the generic 3-parameter model on the 2-sphere is cast in the framework of the Racah problem for the \({\mathfrak{su}(1,1)}\) algebra. The Hamiltonian of the 3-parameter system and the generators of its quadratic symmetry algebra are seen to correspond to the total and intermediate Casimir operators of the combination of three \({\mathfrak{su}(1,1)}\) algebras, respectively. The construction makes explicit the isomorphism between the Racah–Wilson algebra, which is the fundamental algebraic structure behind the Racah problem for \({\mathfrak{su}(1, 1)}\) , and the invariance algebra of the generic 3-parameter system. It also provides an explanation for the occurrence of the Racah polynomials as overlap coefficients in this context. The irreducible representations of the Racah–Wilson algebra are reviewed as well as their connection with the Askey scheme of classical orthogonal polynomials.     

Observation of a non-adiabatic geometric phase for elastic waves

We report the experimental observation of a geometric phase for elastic waves in a waveguide with helical shape. The setup reproduces the experiment by Tomita and Chiao [A. Tomita, R.Y. Chiao, Phys. Rev. Lett. 57 (1986) 937–940, 2471] that showed first evidence of a Berry phase, a geometric phase for adiabatic time evolution, in optics. Experimental evidence of a non-adiabatic geometric phase has been reported in quantum mechanics. We have performed an experiment to observe the polarization transport of classical elastic waves. In a waveguide, these waves are polarized and dispersive. Whereas the wavelength is of the same order of magnitude as the helix’s radius, no frequency dependent correction is necessary to account for the theoretical prediction. This shows that in this regime, the geometric phase results directly from geometry and not from a correction to an adiabatic phase.     

The raspberry model for protein-like particles: Ellipsoids and confinement in cylindrical pores

The study of protein mass transport via atomistic simulation requires time and length scales beyond the computational capabilities of modern computer systems. The raspberry model for colloidal particles in combination with the mesoscopic hydrodynamic method of lattice Boltzmann facilitates coarse-grained simulations that are on the order of microseconds and hundreds of nanometers for the study of diffusive transport of protein-like colloid particles. The raspberry model reproduces linearity in resistance to motion versus particle size and correct enhanced drag within cylindrical pores at off-center coordinates for spherical particles. Owing to the high aspect ratio of many proteins, ellipsoidal raspberry colloid particles were constructed and reproduced the geometric resistance factors of Perrin and of Happel and Brenner in the laboratory-frame and in the moving body-frame. Accurate body-frame rotations during diffusive motion have been captured for the first time using projections of displacements. The spatial discretization of the fluid leads to a renormalization of the hydrodynamic radius, however, the data describes a self-consistent hydrodynamic frame within this renormalized system.