Solid-State Dynamics and High-Pressure Studies of a Supramolecular Spiral Gear

The structures and solid-state dynamics of the supramolecular salts of the general formula [(12-crown-4)₂ ⋅ DABCOH₂](X)₂ (where DABCO=1,4-diazabicyclo[2.2.2]octane, X=BF₄, ClO₄) have been investigated as a function of temperature (from 100 to 360 K) and pressure (up to 3.4 GPa), through the combination of variable-temperature and variable-pressure XRD techniques and variable-temperature solid-state NMR spectroscopy. The two salts are isomorphous and crystallize in the enantiomeric space groups P3₂2₁ and P3₁2₁. All building blocks composing the supramolecular complex display dynamic processes at ambient temperature and pressure. It has been demonstrated that the motion of the crown ethers is maintained on lowering the temperature (down to 100 K) or on increasing the pressure (up to 1.5 GPa) thanks to the correlation between neighboring molecules, which mesh and rotate in a concerted manner similar to spiral gears. Above 1.55 GPa, a collapse-type transition to a lower-symmetry ordered structure, not attainable at a temperature of 100 K, takes place, proving, thus, that the pressure acts as the means to couple and decouple the gears. The relationship between temperature and pressure effects on molecular motion in the solid state has also been discussed.     

New far-infrared emissions and frequency measurements in hydrazine

By means of a new CO₂ laser we performed a new investigation of the far-infrared laser emission spectrum of hydrazine excited by the 10P(32) and 10R(8) CO₂ laser lines. We found seven new lines and measured the frequency of four of them; moreover we measured the frequencies of two more lines previously reported in the literature with only wavelength measurements. The frequencies of the far-infrared laser emissions have been measured by means of a frequency-synthesis chain based on new InP Schottky diodes. The detected signal was beat-note generated in a Schottky diode between the far-infrared radiation, the harmonics of a 72 GHz frequency reference and a rf signal. We also characterized all of the observed lines by their polarization relative to the pumping CO₂ laser, the optimum pressure and the offset relative to the CO₂ center frequency. PACS 42.55.Lt; 42.62.Fi     

Generalized Cheeger-Gromoll metrics and the Hopf map

We show that there exists a family of Riemannian metrics on the tangent bundle of a two-sphere, which induces metrics of constant curvature on its unit tangent bundle. In other words, given such a metric on the tangent bundle of a two-sphere, the Hopf map is identified with a Riemannian submersion from the universal covering space of the unit tangent bundle, equipped with the induced metric, onto the two-sphere. A hyperbolic counterpart dealing with the tangent bundle of a hyperbolic plane is also presented.     

Proximity search heuristics for wind farm optimal layout

A heuristic framework for turbine layout optimization in a wind farm is proposed that combines ad-hoc heuristics and mixed-integer linear programming. In our framework, large-scale mixed-integer programming models are used to iteratively refine the current best solution according to the recently-proposed proximity search paradigm. Computational results on very large scale instances involving up to 20,000 potential turbine sites prove the practical viability of the overall approach.     

Auger electron emission in proton-induced interactions in living matter: A TILDA-V Monte Carlo tracking

The present work focuses on studying the contribution of the Auger electron emission in proton-induced interactions in biological matter. The Monte Carlo track-structure code, TILDA-V, was then used for modeling the protons beams of 10 keV to 100 MeV in biological matter, namely, water vapor and hydrated DNA. The main ionizing processes are described by means of an extensive set of ab initio differential and total cross sections computed within a quantum-mechanical CDW-EIS approximation.     

Integer linear programming models for 2-staged two-dimensional Knapsack problems

 We are given a unique rectangular piece of stock material S, with height H and width W, and a list of m rectangular shapes to be cut from S. Each shape's type i (i = 1, ..., m) is characterized by a height , a width , a profit , and an upper bound ub _i indicating the maximum number of items of type i which can be cut. We refer to the Two-Dimensional Knapsack (TDK) as the problem of determining a cutting pattern of S maximizing the sum of the profits of the cut items. In particular, we consider the classical variant of TDK in which the maximum number of cuts allowed to obtain each item is fixed to 2, and we refer to this problem as 2-staged TDK (2TDK). For the 2TDK problem we present two new Integer Linear Programming models, we discuss their properties, and we compare them with other formulations in terms of the LP bound they provide. Finally, both models are computationally tested within a standard branch-and-bound framework on a large set of instances from the literature by reinforcing them with the addition of linear inequalities to eliminate symmetries. Received: October 17, 2000 / Accepted: December 19, 2001 Published online: September 27, 2002 Key words. packing – cutting – integer linear programming     

Inclusive Science Education: Classroom Teacher and Science Educator Experiences in CLASS Workshops

Inclusion is the meaningful participation of students with disabilities in general education classrooms. The CLASS project (Creating Laboratory Access for Science Students) is a unique initiative offering training and resources to help educators provide students with a variety of physical, sensory and learning disabilities equal access in the science laboratory or field. To determine whether participants believed a 2‐week residential workshop sponsored by CLASS raised disability awareness and provided teacher training in inclusive science teaching practice, a multipoint Likert scale survey and questionnaire was completed by all participants (N= 20) in four workshops. Participants reported large gains in their preparedness to teach science to students with disabilities. Participants also reported gains in their familiarity with instructional strategies, curricula, and resources and their ability to design, select, and modify activities for students with disabilities. Finally, shifts in attitudes about teaching science to students with disabilities were noted.     

Stability properties of an inverse parabolic problem with unknown boundaries

We treat the stability issue for an inverse problem arising from non-destructive evaluation by thermal imaging. We consider the determination of an unknown portion of the boundary of a thermic conducting body by overdetermined boundary data for a parabolic initial-boundary value problem. We obtain that when the unknown part of the boundary is a priori known to be smooth, the data are as regular as possible and all possible measurements are taken into account, the problem is exponentially ill-posed. Then, we prove that a single measurement with some a priori information on the unknown part of the boundary and minimal assumptions on the data, in particular on the thermal conductivity, is enough to have stable determination of the unknown boundary. Given the exponential ill-posedness, the stability estimate obtained is optimal. AMS 2000 Mathematics Subject Classification. Primary 35R30, Secondary 35B60, 33C90     

Local higher integrability for parabolic quasiminimizers in metric spaces

Using purely variational methods, we prove in metric measure spaces local higher integrability for minimal p-weak upper gradients of parabolic quasiminimizers related to the heat equation. We assume the measure to be doubling and the underlying space to be such that a weak Poincaré inequality is supported. We define parabolic quasiminimizers in the general metric measure space context, and prove an energy type estimate. Using the energy estimate and properties of the underlying metric measure space, we prove a reverse Hölder inequality type estimate for minimal $p$ -weak upper gradients of parabolic quasiminimizers. Local higher integrability is then established based on the reverse Hölder inequality, by using a modification of Gehring’s lemma.     

Electro-oxidation of ethanol using PtSnRh/C electrocatalysts prepared by an alcohol-reduction process

PtRh/C (90:10), PtRh/C (50:50), PtSn/C (50:50), and PtSnRh/C (50:40:10) electrocatalysts were prepared by an alcohol-reduction process using ethylene glycol as solvent and reduction agent and Vulcan Carbon XC72 as supports. The electrocatalysts were characterized by energy-dispersive X-ray analysis, X-ray diffraction, and transmission electron microscopy. The electro-oxidation of ethanol was studied by cyclic voltammetry chronoamperometry at room temperature and on a single cell of a direct ethanol fuel cell at 100 °C. Cyclic voltammetry and chronoamperometry experiments showed that PtSnRh/C and PtSn/C electrocatalysts have similar performance for ethanol oxidation at room temperature, while the activity of PtRh/C electrocatalysts was very low. At 100 °C on a single cell, PtSnRh/C showed superior performance compared to PtSn/C and PtRh/C electrocatalysts.