Hybrid Organic−Inorganic Solids That Show Shape Selectivity

Hybrid organic−inorganic solids featuring millimolar/gram concentrations of intracrystalline organic moieties and shape-selectivity are synthesized. Pure-silica zeolite beta crystals are coated with zirconia and treated in aqueous sodium hydroxide to create defects and mesoporosity within the crystalline structure. Aminopropyl organic groups are subsequently grafted onto the generated intracrystalline silanol groups. After grafting, characterization data indicate a high organic concentration localized primarily within the intracrystalline voids. Specifically, thermogravimetric analysis shows an organic loading of 0.7 mmol of NH_2/g, ^(29)Si solid-state nuclear magnetic resonance (NMR) spectra display a quantitative decrease in Q^3 silicon atoms with a corresponding resharpening of the Q^4 resonances, and N_2 adsorption data show a decrease in micropore volume to 0.10 cm^3/g. Knoevenagel condensation reactions are catalyzed by the aminopropyl-functionalized materials using differently sized aldehydes and the results show that the zirconia-protected functionalized solid have shape selective properties

Mechanism of Glucose Isomerization Using a Solid Lewis Acid Catalyst in Water

^1H and ^(13)C NMR spectroscopy on isotopically labeled glucose reveals that in the presence of tin-containing zeolite Sn-Beta, the isomerization reaction of glucose in water proceeds by way of an intramolecular hydride shift (see scheme) rather than proton transfer. This is the first mechanistic demonstration of Sn-Beta acting as a Lewis acid in a purely aqueous environment

Mott scattering at the interface between a metal and a topological insulator

We compute the spin-active scattering matrix and the local spectrum at the interface between a metal and a three-dimensional topological band insulator. We show that there exists a critical incident angle at which complete (100%) spin flip reflection occurs and the spin rotation angle jumps by $\pi$. We discuss the origin of this phenomena, and systematically study the dependence of spin-flip and spin-conserving scattering amplitudes on the interface transparency and metal Fermi surface parameters. The interface spectrum contains a well-defined Dirac cone in the tunneling limit, and smoothly evolves into a continuum of metal induced gap states for good contacts. We also investigate the complex band structure of Bi$_2$Se$_3$.Comment: published versio

Free vibrations of simply-supported beam bridges under moving loads: Maximum resonance, cancellation and resonant vertical acceleration

The advent of high-speed railways has raised many concerns regarding the behaviour of bridges. Particularly, the analysis of the free vibrations generated by each load is of great interest because they can possibly accumulate and create resonance phenomena. Regarding simply supported beams, earlier contributions showed that the free vibrations created by a single moving force are of maximum or zero amplitude (cancellation) for certain speeds. In the present paper new closed-form expressions are given for the cancellation speeds of a generic mode, as well as for the most representative points of maximum amplitude. Similar new results are provided for elastically supported beams as well. A simpler, closed-form approximate expression of the cancellation condition for an elastically supported beam is also derived from the analysis of a single passing load; this approximate formula is in good agreement with the exact results. Knowing a priori the speeds of maximum free vibrations or cancellation is of great interest for experimental tests on bridges, particularly as regards the evaluation of amplitude-dependent magnitudes such as structural damping. Regarding the resonance phenomena, if the resonance speeds coincide with either a maximum free vibration or a cancellation speed, then a maximum resonance or a cancellation of resonance will occur. The most relevant cases thereof have been investigated, and new expressions which allow predicting them for a generic mode are given. Finally, a new approximate formula is proposed for estimating the maximum acceleration of simply supported bridges caused by resonances of the fundamental mode. After extensive numerical testing, the formula has proved to be a useful tool for a first assessment of simply supported bridges according to building codes such as Eurocodes. (C) 2012 Elsevier Ltd. All rights reserved.The authors acknowledge the financial support of the State Secretariat for Research of the Spanish Ministry of Science and Innovation (Secretaria de Estado de Investigacion, Ministerio de Ciencia e Innovacion, MICINN) in the framework of the Research Project BIA2008-04111.Museros Romero, P.; Moliner, E.; Martinez-Rodrigo, M. (2013). Free vibrations of simply-supported beam bridges under moving loads: Maximum resonance, cancellation and resonant vertical acceleration. Journal of Sound and Vibration. 332(2):326-345. https://doi.org/10.1016/j.jsv.2012.08.008326345332

Dynamic performance of existing double track railway bridges at resonance with the increase of the operational line speed

[EN] This article addresses the dynamic behaviour of double track simply supported bridges of short to medium span lengths (10 m < L< 25 m) belonging to conventional railway lines. These structures are susceptible to experience inadmissible levels of vertical vibrations when traversed by trains at high speeds, and in certain cases their dynamic performance may require to be re-evaluated in case of an increase of the traffic velocity above 200 km/h. In engineering consultancies, these structures have been traditionally analysed under the passage of trains at different speeds using planar models, neglecting the contribution of transverse vibration modes and also the flexibility of the elastomeric bearings. The study presented herein endeavours to evaluate the influence of these two aspects in the verification of the Serviceability Limit State of vertical accelerations, which is of great interest in order to guarantee a conservative prediction of the dynamic behaviour. In the present study, the dynamic response of representative slab and girder bridges has been evaluated using an orthotropic plate finite element model, leading to practical conclusions regarding the circumstances under which the above mentioned factors should be considered in order to adequately evaluate the transverse vibration levels of the deck.Moliner, E.; Martínez-Rodrigo, M.; Museros Romero, P. (2017). Dynamic performance of existing double track railway bridges at resonance with the increase of the operational line speed. Engineering Structures. 132:98-109. doi:10.1016/j.engstruct.2016.11.031S9810913

Elasto-thermoelectric beam formulation for modeling thermoelectric devices

[EN] The present paper provides a dynamic, non-linear and fully coupled Finite Element (FE) formulation based on the Timoshenko beam theory to study elasto-thermoelectric responses in thermoelectric devices. The two main motivations of this work are: i) to study mechanical responses in thermoelectric devices, which must be taken into account in the design of Peltier cells due to the fragility and relative low strength of the semiconductors, and ii) to provide a numerical tool that decreases the CPU time to allow the introduction of designs based on optimization processes and on sensitivity analyses that could require many evaluations. In order to undertake the objectives of this work, the general three-dimensional governing equations are reduced to one-dimensional ones by means of several assumptions. Then, a set of five multi-coupled partial differential equations is obtained. The resultant expressions are thermodynamically consistent and form a multi-coupled monolithic FE formulation, differently to stagger formulations that require two separated steps to reach the final result. Numerically, this set of multi-coupled equations is discretized using the FE method and implemented into FEAP Taylor, 2010 [1]. For a proper validation of the code, four benchmarks are performed using one- dimensional dynamic analytical solutions developed by the authors. Finally, this formulation is compared with a three-dimensional FE formulation also developed by the authors in Pe &#769;rez-Aparicio et al., 2015 [2] to model a commercial Peltier cell. This comparison reveals that: i) relative errors are lower than 13% and ii) CPU times decrease significantly, more than one order of magnitude. In conclusion, the beam thermoelectric formulation is an accurate model that reduces CPU time and could be used in future design of thermoelectric devices.Palma, R.; Moliner, E.; Pérez-Aparicio, JL. (2017). Elasto-thermoelectric beam formulation for modeling thermoelectric devices. Finite Elements in Analysis and Design. 129:32-41. doi:10.1016/j.finel.2017.02.001S324112

Seeing the last part of a hitting movement is enough to adapt to a temporal delay.

Being able to see the object that you are aiming for is evidently useful for guiding the hand to a moving object. We examined to what extent seeing the moving hand also influences performance. Subjects tried to intercept moving targets while either instantaneous or delayed feedback about the moving hand was provided at certain times. After each attempt, subjects had to indicate whether they thought they had hit the target, had passed ahead of it, or had passed behind it. Providing visual feedback early in the movement enabled subjects to use visual information about the moving hand to correct their movements. Providing visual feedback when the moving hand passed the target helped them judge how they had performed. Performance was almost as good when visual feedback about the moving hand was provided only when the hand was passing the target as when it was provided throughout the movement. We conclude that seeing the temporal relationship between the hand and the target as the hand crosses the target's path is instrumental for adapting to a temporal delay

Magnetization Process of the Classical Heisenberg Model on the Shastry-Sutherland Lattice

We investigate classical Heisenberg spins on the Shastry-Sutherland lattice and under an external magnetic field. A detailed study is carried out both analytically and numerically by means of classical Monte-Carlo simulations. Magnetization pseudo-plateaux are observed around 1/3 of the saturation magnetization for a range of values of the magnetic couplings. We show that the existence of the pseudo-plateau is due to an entropic selection of a particular collinear state. A phase diagram that shows the domains of existence of those pseudo-plateaux in the $(h, T)$ plane is obtained.Comment: 9 pages, 11 figure

RETROFIT OF EXISTING RAILWAY BRIDGES OF SHOR TO MEDIUM SPANS FOR HIGH-SPEED TRAFFIC USING VISCOELASTIC DAMPERS

Elsevier Moliner Cabedo, E.; Museros Romero, P.; Martínez Rodrigo, MDLD. (2012). Retrofit of existing railway bridges of short to medium spans for high-speed traffic using viscoelastic dampers. Engineering Structures. 40:519-528. doi:10.1016Structures. 40:519-528. doi:10. /j.engstruct.2012 Abstract. This paper presents a study on the energy-absorbing capacities of viscoelastic dampers (VEDs) for reducing the resonant vibrations of simply supported high-speed railway bridges of short to medium span. The proposed solution is based on retrofitting the bridge with a set of discrete VEDs connected to the slab and to an auxiliary structure, placed underneath the bridge deck and resting on the abutments. In this investigation attention is focused on mitigating flexural vibrations; therefore, both the bridge and the auxiliary structure are modelled as simply supported beams with Bernoulli−Euler (B-E) behavior, whereas a discrete fractional derivative model simulates the behavior of the damping material. Firstly, a parametric study of this planar model is carried out, which has led to a dimensioning procedure of the dissipative system. The technical feasibility of this particular retrofit design is numerically evaluated by applying it to a numerical model of a simply supported railway bridge with inadmissible vertical accelerations. Numerical results show that the dynamic response of the structure can be significantly reduced in resonance with the proposed damping system.

Thermo-oxidative characterisation of the residues from persimmon harvest for its use in energy recovery processes

[EN] The residues from the harvest of persimmon fruit will be thermally valorised by means of high temperature reactions within a spouted bed reactor. With the aim to obtain valuable information for the design of the device, the thermo-chemical processes were simulated by multi-rate linear non-isothermal Thermogravimetric Analysis (TGA) using O-2 as carrier gas. In addition, a set of analyses were carried out using Ar as carrier gas in order to evaluate the influence of the atmosphere (oxidative or inert conditions) on the decomposition of the samples evaluating the reactions of pyrolysis. The release of gases was monitored by Evolved Gas Analysis (EGA) with in-line Fourier Transformed Infrared (FT-IR) analysis. The thermochemical reaction was mathematically described through the definition of the main kinetic parameters: activation energy (Ea), pre-exponential factor (In A) and model and order of reaction (n). The so-called kinetic triplet was calculated through the application of a methodology based on complementary isoconversional methods. These results will be the initial parameters that will help design the Spouted Bed Reactor and it is envisaged that they will be used in computer simulation software to achieve a better understanding of the process to obtain the optimum operational parameters. (C) 2016 Published by Elsevier B.V.Moliner, C.; Aguilar, A.; Bosio, B.; Arato, E.; Ribes-Greus, A. (2016). Thermo-oxidative characterisation of the residues from persimmon harvest for its use in energy recovery processes. Fuel Processing Technology. 152:421-429. https://doi.org/10.1016/j.fuproc.2016.07.008S42142915