Dense regular packings of irregular nonconvex particles

We present a new numerical scheme to study systems of nonconvex, irregular, and punctured particles in an efficient manner. We employ this method to analyze regular packings of odd-shaped bodies, both from a nanoparticle and from a computational geometry perspective. Besides determining close-packed structures for 17 irregular shapes, we confirm several conjectures for the packings of a large set of 142 convex polyhedra and extend upon these. We also prove that we have obtained the densest packing for both rhombicuboctahedra and rhombic enneacontrahedra and we have improved upon the packing of enneagons and truncated tetrahedra.     

Micromechanically tuned ring resonator in silicon on insulator

We demonstrate a monolithically integrated micromechano-optical device where the resonance wavelength of a silicon ring resonator is tuned by perturbing the evanescent field with an electrostatically actuated silicon nitride microcantilever. The resonance wavelength can be tuned over 125 pm.     

Integrated mechano-optical hydrogen gas sensor using cantilever bending readout with a Si3N4 grated waveguide

We demonstrate a proof of concept of a novel and compact integrated mechano-optical sensor for H(2) detection based on a microcantilever suspended above a Si(3)N(4) grated waveguide. The fabricated devices are mechanically and optically modeled and characterized. Sensing operation of the sensor is demonstrated with 1% H(2) in N(2). The error in detection of the cantilever bending induced by absorption of H(2) is estimated to be approximately 10 nm. Significantly improved sensitivity (down to ～33 pm) is expected for reduced initial bending of the microcantilever. The simulation and experimental results are in good agreement and provide a good guideline for further optimization of the sensor.     

On the structure 0f nitroformazans

A syn,s-cis structure, best described as mesomeric, is proposed for a series of symmetrical nitroformazans, based on the X-ray crystal structure of 3-nitro-1,5-di(2,6-dimethylphenyl)formazan. Spectroscopic measurements, however, do not exclude the possibility of rapid tautomerism in solution.     

Fused Triangulene Dimers: Facile Synthesis by Intramolecular Radical-Radical Coupling and Application for Near-Infrared Lasers

Large graphene-like molecules with four zigzag edges are ideal gain medium materials for organic near-infrared (NIR) lasers. However, synthesizing them becomes increasingly challenging as the molecular size increases. In this study, we introduce a new intramolecular radical-radical coupling approach and successfully synthesize two fused triangulene dimers ( 1 a / 1 b ) efficiently. X-ray crystallographic analysis of 1 a indicates that there is no intermolecular π-π stacking in the solid state. When the more soluble derivative 1 b is dispersed in polystyrene thin films, amplified spontaneous emission in the NIR region is observed. Using 1 b as the active gain material, we fabricate solution-processed distributed feedback lasers that exhibit a narrow emission linewidth at around 790 nm. The laser devices also exhibit low thresholds with high photostability. Our study provides a new synthetic strategy for extended nanographenes, which have diverse applications in electronics and photonics.     

Transmission of binding information across lipid bilayers

A synthetic transmembrane receptor that is capable of transmitting binding information across a lipid bilayer membrane is reported. The binding event is based on aggregation of the receptor triggered by copper(II) complexation to ethylenediamine functionalities. By labelling the receptor with fluorescent dansyl groups, the copper(II) binding event could be monitored by measuring the extent of fluorescence quenching. Comparing the receptor with a control receptor lacking the transmembrane linkage revealed that the transmembrane receptor binds copper(II) ions more tightly than the non-spanning control receptor at low copper(II) concentrations. Since the intrinsic binding to copper(II) is the same for both receptors, this effect was attributed to synergy between the connected interior and exterior binding sides of the transmembrane receptor. Thus, this is the first reported artificial signalling event in which binding of a messenger on one side of the membrane leads to a cooperative binding event on the opposite side of the membrane, resembling biological signalling systems and helping us to get a better understanding of the requirements for more effective artificial signalling systems.     

Kinetic pathways for the isotropic-nematic phase transition in a system of colloidal hard rods: a simulation study

We study the kinetic pathways for the isotropic-to-nematic transition in a fluid of colloidal hard rods. In order to follow the formation of the nematic phase, we develop a new cluster criterion that distinguishes nematic clusters from the isotropic phase. Applying this criterion in Monte Carlo simulations, we find spinodal decomposition as well as nucleation and growth depending on the supersaturation. We determine the height of the nucleation barrier and we study the shape and structure of the cluster. More specifically, we find ellipsoidal nematic clusters with an aspect ratio of about 1.7 and a homogeneous nematic director field. Our results are consistent with theoretical predictions on the shape and director field of nematic tactoids. Classical nucleation theory gives reasonable predictions for the height of the nucleation barrier and the critical nucleus size.     

Evidence for out-of-equilibrium crystal nucleation in suspensions of oppositely charged colloids

We report a numerical study of the rate of crystal nucleation in a binary suspension of oppositely charged colloids. Two different crystal structures compete in the thermodynamic conditions under study. We find that the crystal phase that nucleates is metastable and, more surprisingly, its nucleation free-energy barrier is not the lowest one. This implies that, during nucleation, there is insufficient time for subcritical nuclei to relax to their lowest free-energy structure. Such behavior is in direct contradiction with the common assumption that the phase that crystallizes most readily is the one with the lowest free-energy barrier for nucleation. The phenomenon that we describe should be relevant for crystallization experiments where competing solid structures are not connected by an easy transformation.     

Comprehensive comparison of various techniques for the analysis of elemental distributions in thin films

The present work shows results on elemental distribution analyses in Cu(In,Ga)Se2 thin films for solar cells performed by use of wavelength-dispersive and energy-dispersive X-ray spectrometry (EDX) in a scanning electron microscope, EDX in a transmission electron microscope, X-ray photoelectron, angle-dependent soft X-ray emission, secondary ion-mass (SIMS), time-of-flight SIMS, sputtered neutral mass, glow-discharge optical emission and glow-discharge mass, Auger electron, and Rutherford backscattering spectrometry, by use of scanning Auger electron microscopy, Raman depth profiling, and Raman mapping, as well as by use of elastic recoil detection analysis, grazing-incidence X-ray and electron backscatter diffraction, and grazing-incidence X-ray fluorescence analysis. The Cu(In,Ga)Se2 thin films used for the present comparison were produced during the same identical deposition run and exhibit thicknesses of about 2 μm. The analysis techniques were compared with respect to their spatial and depth resolutions, measuring speeds, availabilities, and detection limits.     

Depletion-induced biaxial nematic states of boardlike particles

With the aim of investigating the stability conditions of biaxial nematic liquid crystals, we study the effect of adding a non-adsorbing ideal depletant on the phase behavior of colloidal hard boardlike particles. We take into account the presence of the depletant by introducing an effective depletion attraction between a pair of boardlike particles. At fixed depletant fugacity, the stable liquid-crystal phase is determined through a mean-field theory with restricted orientations. Interestingly, we predict that for slightly elongated boardlike particles a critical depletant density exists, where the system undergoes a direct transition from an isotropic liquid to a biaxial nematic phase. As a consequence, by tuning the depletant density, an easy experimental control parameter, one can stabilize states of high biaxial nematic order even when these states are unstable for pure systems of boardlike particles.