Interplay between structure and size in a critical crystal nucleus

We study the kinetics of crystal nucleation of an undercooled Lennard-Jones liquid using various path-sampling methods. We obtain the rate constant and elucidate the pathways for crystal nucleation. Analysis of the path ensemble reveals that crystal nucleation occurs along many different pathways, in which critical solid nuclei can be small, compact, and face centered cubic, but also large, less ordered, and more body centered cubic. The reaction coordinate thus includes, besides the cluster size, also the quality of the crystal structure.     

Partially dynamic maintenance of minimum weight hyperpaths

We address the problem of dynamically maintaining minimum weight hyperpaths in a directed hypergraph in a decremental setting. For such a problem, we provide a new efficient algorithm that works for a wide class of hyperpath weight measures. This algorithm explicitly updates minimum weight hyperpaths in

Full-size image

worst case time under a sequence of L hyperarc weight increments and hyperarc deletions, where C is the maximum weight of minimum hyperpaths in and is the size of the representation of the hypergraph. Hyperpath weight measures are only required to belong to the class of strict weakly superior functions.     

Diffraction engineering in arrays of photonic crystal waveguides

Light propagation in uniform arrays of photonic crystal waveguides is studied. We demonstrate that, in stark contrast to the case of conventional waveguide arrays, diffraction can be tailored both in magnitude and sign by varying only the spacing between adjacent waveguides. Diffraction management in ultracompact arrays of straight photonic crystal waveguides is demonstrated by solving Maxwell's equations through the time-domain finite-element method.     

From X- to O-shaped spatiotemporal spectra of light filaments in water

We show that the angle-wavelength spectra of light filaments excited by ultrashort pulses experience a transition from X- to O-like structures when their carrier wavelengths are switched from normal to anomalous dispersion. Calculations confirm that the O-shaped conical emission follows the elliptic geometry of the nonlinear Schr?dinger equation with anomalous dispersion.     

Nonlinear unbalanced bessel beams: stationary conical waves supported by nonlinear losses

Nonlinear losses accompanying self-focusing substantially impact the dynamic balance of diffraction and nonlinearity, permitting the existence of localized and stationary solutions of the 2D + 1 nonlinear Schr?dinger equation, which are stable against radial collapse. These are featured by linear, conical tails that continually refill the nonlinear, central spot. An experiment shows that the discovered solution behaves as a strong attractor for the self-focusing dynamics in Kerr media.     

Generation and intramolecular reactivity of acyl radicals from alkynylthiol esters under reducing tin-free conditions

[reaction: see text] The radical chain reaction of benzenethiol with alkynylthiol esters provides a new, valuable protocol for the tin-free generation of acyl radicals that arise from intramolecular substitution at sulfur by the initial sulfanylvinyl radicals.     

Easy Access to Phosphido-Selenido Clusters. Reaction of [Ru3(CO)12] with Ph2(pyth)PSe {pyth=5-(2-Pyridyl)-2-Thienyl} and Crystal Structure of [Ru3(μ3-Se)(μ-PPh2)(μ-pyth)(CO)6{P(pyth)Ph2}]

The reaction of [Ru₃(CO)₁₂] with Ph₂(pyth)PSe (pyth=5-(2-pyridyl)-2-thienyl) allows to obtain two novel clusters [Ru₃(₃-Se)₂(CO)₇{P(pyth)Ph₂}₂] 1 and [Ru₃(₃-Se)(-PPh₂)(-pyth)(CO)₆{P(pyth)Ph₂}] 2 in satisfactory yields. The first one exhibits the well-known bicapped, open triangular, 50-electron nido-core, whereas 2, whose crystal structure has been determined, shows the rather rare Ru₃Se tetrahedron with the Ph₂P and pyth fragments as side-bridging ligands. Morever cluster 2 belongs to the exiguous family of selenido-phosphido clusters not easily achievable by other routes.     

A Converse Hawking-Unruh Effect and dS<Superscript>2</Superscript>/CFT Correspondence

Given a local quantum field theory net $ \mathcal{A} $ on the de Sitter spacetime dS ^d , where geodesic observers are thermalized at Gibbons-Hawking temperature, we look for observers that feel to be in a ground state, i.e., particle evolutions with positive generator, providing a sort of converse to the Hawking-Unruh effect. Such positive energy evolutions always exist as noncommutative flows, but have only a partial geometric meaning, yet they map localized observables into localized observables. We characterize the local conformal nets on dS ^d . Only in this case our positive energy evolutions have a complete geometrical meaning. We show that each net has a unique maximal expected conformal subnet, where our evolutions are thus geometrical. In the two-dimensional case, we construct a holographic one-to-one correspondence between local nets $ \mathcal{A} $ on dS ² and local conformal non-isotonic families (pseudonets) $ \mathcal{B} $ on S ¹. The pseudonet $ \mathcal{B} $ gives rise to two local conformal nets $ \mathcal{B}_\pm $ on S ¹, that correspond to the $ \frak{H}_\pm $ horizon components of $ \mathcal{A} $, and to the chiral components of the maximal conformal subnet of $ \mathcal{A} $. In particular, $ \mathcal{A} $ is holographically reconstructed by a single horizon component, namely the pseudonet is a net, iff the translations on $ \frak{H}_\pm $ have positive energy and the translations on $ \frak{H}_\mp $ are trivial. This is the case iff the one-parameter unitary group implementing rotations on dS ² has positive/negative generator. Communicated by Klaus Fredenhagen submitted 07/02/03, accepted: 07/07/03