Design of laminated piezocomposite shell transducers with arbitrary fiber orientation using topology optimization approach

Sensor and actuator based on laminated piezocomposite shells have shown increasing demand in the field of smart structures. The distribution of piezoelectric material within material layers affects the performance of these structures; therefore, its amount, shape, size, placement, and polarization should be simultaneously considered in an optimization problem. In addition, previous works suggest the concept of laminated piezocomposite structure that includes fiber-reinforced composite layer can increase the performance of these piezoelectric transducers; however, the design optimization of these devices has not been fully explored yet. Thus, this work aims the development of a methodology using topology optimization techniques for static design of laminated piezocomposite shell structures by considering the optimization of piezoelectric material and polarization distributions together with the optimization of the fiber angle of the composite orthotropic layers, which is free to assume different values along the same composite layer. The finite element model is based on the laminated piezoelectric shell theory, using the degenerate three-dimensional solid approach and first-order shell theory kinematics that accounts for the transverse shear deformation and rotary inertia effects. The topology optimization formulation is implemented by combining the piezoelectric material with penalization and polarization model and the discrete material optimization, where the design variables describe the amount of piezoelectric material and polarization sign at each finite element, with the fiber angles, respectively. Three different objective functions are formulated for the design of actuators, sensors, and energy harvesters. Results of laminated piezocomposite shell transducers are presented to illustrate the method. Copyright (C) 2012 John Wiley & Sons, Ltd.

Electronic structure and physical properties of Heusler compounds for thermoelectric and spintronic applications

This thesis focuses on synthesis as well as investigations of the electronic structure and properties of Heusler compounds for spintronic and thermoelectric applications.rnThe first part reports on the electronic and crystal structure as well as the mechanical, magnetic, and transport properties of the polycrystalline Heusler compound Co2MnGe. The crystalline structure was examined in detail by extended X-ray absorption fine structure spectroscopy and anomalous X-ray diffraction. The low-temperature magnetic moment agrees well with the Slater-Pauling rule and indicates a half-metallic ferromagnetic state of the compound, as is predicted by ab-initio calculations. Transport measurements and hard X-ray photoelectron spectroscopy (HAXPES) were performed to explain the electronic structure of the compound.rnA major part of the thesis deals with a systematical investigation of Heusler compounds for thermoelectric applications. Few studies have been reported on thermoelectric properties of p-type Heusler compounds. Therefore, this thesis focuses on the search for new p-type Heusler compounds with high thermoelectric efficiency. The substitutional series NiTi1−xMxSn and CoTi1−xMxSb (where M = Sc, V and 0 ≤ x ≤ 0.2) were synthesized and investigated theoretically and experimentally with respect to electronic structure and transport properties. The results show the possibility to create n-type and p-type thermoelectrics within one Heusler compound. The pure compounds showed n-type behavior, while under Sc substitution the system switched to p-type behavior. A maximum Seebeck coefficient of +230 μV/K (at 350 K) was obtained for NiTi0.26Sc0.04Zr0.35Hf0.35Sn, which is one of the highest values for p-type thermoelectric compounds based on Heusler alloys up to now. HAXPES valence band measurement show massive in gap states for the parent compounds NiTiSn, CoTiSb and NiTi0.3Zr0.35Hf0.35Sn. This proves that the electronic states close to the Fermi energy play a key role for the behavior of the transport properties. Furthermore, the electronic structure of the gapless Heusler compounds PtYSb, PtLaBi and PtLuSb were investigated by bulk sensitive HAXPES. The linear behavior of the spectra close to εF proves the bulk origin of Dirac-cone type density of states. Furthermore, a systematic study on the optical and transport properties of PtYSb is presented. The compound exhibits promising thermoelectric properties with a high figure of merit (ZT = 0.2) and a Hall mobility μh of 300 cm2/Vs at 350 K.rnThe last part of this thesis describes the linear dichroism in angular-resolved photoemission from the valence band of NiTi0.9Sc0.1Sn and NiMnSb. High resolution photoelectron spectroscopy was performed with an excitation energy of hν = 7.938 keV. The linear polarization of the photons was changed using an in-vacuum diamond phase retarder. Noticeable linear dichroism is found in the valence bands and this allows for a symmetry analysis of the contributing states. The differences in the spectra are found to be caused by symmetry dependent angular asymmetry parameters, and these occur even in polycrystalline samples without preferential crystallographic orientation.rnIn summary, Heusler compounds with 1:1:1 and 2:1:1 stoichiometry were synthesized and examined by chemical and physical methods. Overall, this thesis shows that the combination of first-principle calculations, transport measurements and high resolution high energy photoelectron spectroscopy analysis is a very powerful tool for the design and development of new materials for a wide range of applications from spintronic applications to thermoelectric applications.rn

Computer simulation of glioma growth and morphology.

Despite major advances in the study of glioma, the quantitative links between intra-tumor molecular/cellular properties, clinically observable properties such as morphology, and critical tumor behaviors such as growth and invasiveness remain unclear, hampering more effective coupling of tumor physical characteristics with implications for prognosis and therapy. Although molecular biology, histopathology, and radiological imaging are employed in this endeavor, studies are severely challenged by the multitude of different physical scales involved in tumor growth, i.e., from molecular nanoscale to cell microscale and finally to tissue centimeter scale. Consequently, it is often difficult to determine the underlying dynamics across dimensions. New techniques are needed to tackle these issues. Here, we address this multi-scalar problem by employing a novel predictive three-dimensional mathematical and computational model based on first-principle equations (conservation laws of physics) that describe mathematically the diffusion of cell substrates and other processes determining tumor mass growth and invasion. The model uses conserved variables to represent known determinants of glioma behavior, e.g., cell density and oxygen concentration, as well as biological functional relationships and parameters linking phenomena at different scales whose specific forms and values are hypothesized and calculated based on in vitro and in vivo experiments and from histopathology of tissue specimens from human gliomas. This model enables correlation of glioma morphology to tumor growth by quantifying interdependence of tumor mass on the microenvironment (e.g., hypoxia, tissue disruption) and on the cellular phenotypes (e.g., mitosis and apoptosis rates, cell adhesion strength). Once functional relationships between variables and associated parameter values have been informed, e.g., from histopathology or intra-operative analysis, this model can be used for disease diagnosis/prognosis, hypothesis testing, and to guide surgery and therapy. In particular, this tool identifies and quantifies the effects of vascularization and other cell-scale glioma morphological characteristics as predictors of tumor-scale growth and invasion.

Computer simulation of glioma growth and morphology.

Despite major advances in the study of glioma, the quantitative links between intra-tumor molecular/cellular properties, clinically observable properties such as morphology, and critical tumor behaviors such as growth and invasiveness remain unclear, hampering more effective coupling of tumor physical characteristics with implications for prognosis and therapy. Although molecular biology, histopathology, and radiological imaging are employed in this endeavor, studies are severely challenged by the multitude of different physical scales involved in tumor growth, i.e., from molecular nanoscale to cell microscale and finally to tissue centimeter scale. Consequently, it is often difficult to determine the underlying dynamics across dimensions. New techniques are needed to tackle these issues. Here, we address this multi-scalar problem by employing a novel predictive three-dimensional mathematical and computational model based on first-principle equations (conservation laws of physics) that describe mathematically the diffusion of cell substrates and other processes determining tumor mass growth and invasion. The model uses conserved variables to represent known determinants of glioma behavior, e.g., cell density and oxygen concentration, as well as biological functional relationships and parameters linking phenomena at different scales whose specific forms and values are hypothesized and calculated based on in vitro and in vivo experiments and from histopathology of tissue specimens from human gliomas. This model enables correlation of glioma morphology to tumor growth by quantifying interdependence of tumor mass on the microenvironment (e.g., hypoxia, tissue disruption) and on the cellular phenotypes (e.g., mitosis and apoptosis rates, cell adhesion strength). Once functional relationships between variables and associated parameter values have been informed, e.g., from histopathology or intra-operative analysis, this model can be used for disease diagnosis/prognosis, hypothesis testing, and to guide surgery and therapy. In particular, this tool identifies and quantifies the effects of vascularization and other cell-scale glioma morphological characteristics as predictors of tumor-scale growth and invasion.

Predictive oncology: a review of multidisciplinary, multiscale in silico modeling linking phenotype, morphology and growth.

Empirical evidence and theoretical studies suggest that the phenotype, i.e., cellular- and molecular-scale dynamics, including proliferation rate and adhesiveness due to microenvironmental factors and gene expression that govern tumor growth and invasiveness, also determine gross tumor-scale morphology. It has been difficult to quantify the relative effect of these links on disease progression and prognosis using conventional clinical and experimental methods and observables. As a result, successful individualized treatment of highly malignant and invasive cancers, such as glioblastoma, via surgical resection and chemotherapy cannot be offered and outcomes are generally poor. What is needed is a deterministic, quantifiable method to enable understanding of the connections between phenotype and tumor morphology. Here, we critically assess advantages and disadvantages of recent computational modeling efforts (e.g., continuum, discrete, and cellular automata models) that have pursued this understanding. Based on this assessment, we review a multiscale, i.e., from the molecular to the gross tumor scale, mathematical and computational "first-principle" approach based on mass conservation and other physical laws, such as employed in reaction-diffusion systems. Model variables describe known characteristics of tumor behavior, and parameters and functional relationships across scales are informed from in vitro, in vivo and ex vivo biology. We review the feasibility of this methodology that, once coupled to tumor imaging and tumor biopsy or cell culture data, should enable prediction of tumor growth and therapy outcome through quantification of the relation between the underlying dynamics and morphological characteristics. In particular, morphologic stability analysis of this mathematical model reveals that tumor cell patterning at the tumor-host interface is regulated by cell proliferation, adhesion and other phenotypic characteristics: histopathology information of tumor boundary can be inputted to the mathematical model and used as a phenotype-diagnostic tool to predict collective and individual tumor cell invasion of surrounding tissue. This approach further provides a means to deterministically test effects of novel and hypothetical therapy strategies on tumor behavior.

Using plant functional traits and phylogenies to understand patterns of plant community assembly in a seasonal tropical forest in Lao PDR

Plant functional traits reflect different evolutionary responses to environmental variation, and among extant species determine the outcomes of interactions between plants and their environment, including other plant species. Thus, combining phylogenetic and trait-based information can be a powerful approach for understanding community assembly processes across a range of spatial scales. We used this approach to investigate tree community composition at Phou Khao Khouay National Park (18°14’-18°32’N; 102°38’- 102°59’E), Laos, where several distinct forest types occur in close proximity. The aim of our study was to examine patterns of plant community assembly across the strong environmental gradients evident at our site. We hypothesized that differences in tree community composition were being driven by an underlying gradient in soil conditions. Thus, we predicted that environmental filtering would predominate at the site and that the filtering would be strongest on sandier soil with low pH, as these are the conditions least favorable to plant growth. We surveyed eleven 0.25 ha (50x50 m) plots for all trees above 10 cm dbh (1221 individual trees, including 47 families, 70 genera and 123 species) and sampled soils in each plot. For each species in the community, we measured 11 commonly studied plant functional traits covering both the leaf and wood economic spectrum traits and we reconstructed a phylogenetic tree for 115 of the species in the community using rbcL and matK sequences downloaded from Genebank (other species were not available). Finally we compared the distribution of trait values and species at two scales (among plots and 10x10m subplots) to examine trait and phylogenetic community structures. Although there was strong evidence that an underlying soil gradient was determining patterns of species composition at the site, our results did not support the hypothesis that the environmental filtering dominated community assembly processes. For the measured plant functional traits there was no consistent pattern of trait dispersion across the site, either when traits were considered individually or when combined in a multivariate analysis. However, there was a significant correlation between the degree of phylogenetic dispersion and the first principle component axis (PCA1) for the soil parameters.Moreover, the more phylogenetically clustered plots were on sandier soils with lower pH. Hence, we suggest that the community assembly processes across our sitemay reflect the influence ofmore conserved traits that we did not measure. Nevertheless, our results are equivocal and other interpretations are possible. Our study illustrates some difficulties in combining trait and phylogenetic approaches that may result from the complexities of integrating spatial and evolutionary processes that vary at different scales.

El lugar del otro. Interferencias y deslindes entre discurso crítico y práctica escénica contemporánea

Gran parte de la producción teatral argentina de los últimos años parece centrarse en cuestionamientos metaescénicos de impronta posmoderna, los cuales diseminan en la escritura dramática y en la puesta en escena especulaciones teóricas antes limitadas, casi exclusivamente, al ámbito de los estudios académicos. Los ciclos Museos, Biodramas, Archivos, ideados por Vivi Tellas, ejemplifican dicha tendencia, en la medida en que no sólo reflexionan sobre la teoría y la práctica teatrales y la conflictiva relación que las vincula, como así también -y análogamente- sobre la no menos conflictiva relación entre teatro y sociedad, sino que ponen en crisis las estrategias escriturales del discurso crítico que da cuenta de ellos.

El lugar del otro. Interferencias y deslindes entre discurso crítico y práctica escénica contemporánea

Gran parte de la producción teatral argentina de los últimos años parece centrarse en cuestionamientos metaescénicos de impronta posmoderna, los cuales diseminan en la escritura dramática y en la puesta en escena especulaciones teóricas antes limitadas, casi exclusivamente, al ámbito de los estudios académicos. Los ciclos Museos, Biodramas, Archivos, ideados por Vivi Tellas, ejemplifican dicha tendencia, en la medida en que no sólo reflexionan sobre la teoría y la práctica teatrales y la conflictiva relación que las vincula, como así también -y análogamente- sobre la no menos conflictiva relación entre teatro y sociedad, sino que ponen en crisis las estrategias escriturales del discurso crítico que da cuenta de ellos.

El lugar del otro. Interferencias y deslindes entre discurso crítico y práctica escénica contemporánea

Gran parte de la producción teatral argentina de los últimos años parece centrarse en cuestionamientos metaescénicos de impronta posmoderna, los cuales diseminan en la escritura dramática y en la puesta en escena especulaciones teóricas antes limitadas, casi exclusivamente, al ámbito de los estudios académicos. Los ciclos Museos, Biodramas, Archivos, ideados por Vivi Tellas, ejemplifican dicha tendencia, en la medida en que no sólo reflexionan sobre la teoría y la práctica teatrales y la conflictiva relación que las vincula, como así también -y análogamente- sobre la no menos conflictiva relación entre teatro y sociedad, sino que ponen en crisis las estrategias escriturales del discurso crítico que da cuenta de ellos.

Caracterización y optimización acústica del Teatro Auditorio Buero Vallejo

En el siguiente proyecto se realiza el estudio acústico del teatro “Buero Vallejo” situado en la ciudad de Guadalajara. Teniendo en cuenta que la sala está destinada a diferentes utilizaciones , es decir, es una sala multiusos, se analizará su comportamiento acústico e idoneidad ante las diferentes funciones a las que se destina. Las principales representaciones que se han contemplado han sido las actuaciones musicales y obras de teatro. El proyecto se divide en dos partes bien diferenciadas, en primer lugar la teoría relacionada con el estudio acústico de recintos cerrados y por último la parte práctica para la obtención de resultados. En la primera fase del proyecto se analizan los principales conceptos que debemos tener en cuenta en el ámbito de la acústica así como los criterios y parámetros que definen la calidad acústica de una sala para los diferentes tipos de representación. Para obtener una idea principal de cuales son las representaciones mayoritarias en la sala, se obtiene una estadística de las obras que son representadas en el Teatro Auditorio Buero Vallejo durante 6 meses y posteriormente se estudian los valores que debería tener el recinto para las diferentes actuaciones. En este sentido se realiza en primer lugar un análisis genérico sobre los principales parámetros que califican la calidad de una sala y se establecen los parámetros acústicos que se consideran, a día de hoy, como cuantificadores relevantes en el análisis acústico. Para concluir está primera fase, definimos los objetivos acústicos y parámetros a analizar, particularizados a los objetivos que debe cumplir en Teatro Auditorio Buero Vallejo. En la segunda fase del proyecto se realiza la parte práctica del estudio que constará de dos partes: - En primer lugar se realiza un estudio de las características acústicas actuales que tiene el Teatro Auditorio Buero Vallejo mediante la obtención de medidas in situ, que nos permiten cuantificar las propiedades acústicas del recinto. - En segundo lugar se emplea uno de los software de simulación más extendidos en el campo de la acústica arquitectónica para realizar la predicción de estos parámetros acústicos y así poder efectuar un estudio completo de las características acústicas de la sala. ABSTRACT. This project is about the acoustic study of the Theatre Buero Vallejo located in the city of Guadalajara. Since the room is intended for different purposes , it means, it is a multipurpose room, we analyze acoustic behaviour and suitability for the different uses it is intended to. The main representations that have been taken into account have been music and theatre plays. The project is divided into two distinct parts , the first one, the theory related to the acoustic study of enclosures and finally the practice for obtaining results. In the first phase we analyze the main concepts we have to take into account in the field of acoustics and the criteria and parameters that define the acoustic quality of a room for different types of representation. To get an idea of the main representations played in the room, we have obtained a statistic of the plays that are represented at the Teatro Auditorio Buero Vallejo for 6 months and after that, the values for different performances are studied. First of all a generic analysis on the main parameters that describe the quality of a room is made and the acoustic parameters that are considered today as relevant quantifiers of acoustic analysis are setted. To conclude the first phase, we define the objectives and parameters to analyze acoustics, and we particularize them to the objectives to be met in Teatro Auditorio Buero Vallejo. In the second phase we make the practical study which will consist of two parts: - The first one, a study of current acoustic characteristics that Teatro Auditorio Buero Vallejo has by obtaining in situ measurements , which allow us to quantify the acoustical properties of the enclosure. - The second one, we use one of the most widespread simulation software in the field of architectural acoustics for prediction of these acoustic parameters and in this way being able to make a complete study of the acoustic characteristics of the room.

Elastodynamics

In this chapter some applications of boundary element techniques to dynamic problems are presented. First, the basic theory is briefly reviewed in order to provide the necessary background to interpret the numerical results (for a fuller account of elastodynamic theory we recommend a study of the specialized literature). The second part of the chapter is devoted to the numerical implementation of the BEM. The presentation is based on the steady-state solution because this is the area in which most experience exists. This is by no means a limitation of the BEM method, and the use of integral transformations to obtain transient solutions is a well established procedure. Finally, in the third part three examples are presented. The first example is the steady-state solution of a plate under cyclic forces with and without a crack. The second example relies on the determination of soil compliances necessary to study soil-structure interaction and the third example treats the problem of the influence of different incidence angles of incoming waves in foundations. The last two examples are relevant to earthquake engineering problems for which the BEM is very well suited.

Non-Arrhenius kinetics for the loop closure of a DNA hairpin

Intramolecular chain diffusion is an elementary process in the conformational fluctuations of the DNA hairpin-loop. We have studied the temperature and viscosity dependence of a model DNA hairpin-loop by FRET (fluorescence resonance energy transfer) fluctuation spectroscopy (FRETfs). Apparent thermodynamic parameters were obtained by analyzing the correlation amplitude through a two-state model and are consistent with steady-state fluorescence measurements. The kinetics of closing the loop show non-Arrhenius behavior, in agreement with theoretical prediction and other experimental measurements on peptide folding. The fluctuation rates show a fractional power dependence (β = 0.83) on the solution viscosity. A much slower intrachain diffusion coefficient in comparison to that of polypeptides was derived based on the first passage time theory of SSS [Szabo, A., Schulten, K. & Schulten, Z. (1980) J. Chem. Phys. 72, 4350–4357], suggesting that intrachain interactions, especially stacking interaction in the loop, might increase the roughness of the free energy surface of the DNA hairpin-loop.

Large spin splitting in the conduction band of transition metal dichalcogenide monolayers

We study the conduction band spin splitting that arises in transition metal dichalcogenide (TMD) semiconductor monolayers such as MoS2, MoSe2, WS2, and WSe2 due to the combination of spin-orbit coupling and lack of inversion symmetry. Two types of calculation are done. First, density functional theory (DFT) calculations based on plane waves that yield large splittings, between 3 and 30 meV. Second, we derive a tight-binding model that permits to address the atomic origin of the splitting. The basis set of the model is provided by the maximally localized Wannier orbitals, obtained from the DFT calculation, and formed by 11 atomiclike orbitals corresponding to d and p orbitals of the transition metal (W, Mo) and chalcogenide (S, Se) atoms respectively. In the resulting Hamiltonian, we can independently change the atomic spin-orbit coupling constant of the two atomic species at the unit cell, which permits to analyze their contribution to the spin splitting at the high symmetry points. We find that—in contrast to the valence band—both atoms give comparable contributions to the conduction band splittings. Given that these materials are most often n-doped, our findings are important for developments in TMD spintronics.

Numerical method for determination of the NMR frequency of the single-qubit operation in a silicon-based solid-state quantum computer

A numerical method is introduced to determine the nuclear magnetic resonance frequency of a donor (P-31) doped inside a silicon substrate under the influence of an applied electric field. This phosphorus donor has been suggested for operation as a qubit for the realization of a solid-state scalable quantum computer. The operation of the qubit is achieved by a combination of the rotation of the phosphorus nuclear spin through a globally applied magnetic field and the selection of the phosphorus nucleus through a locally applied electric field. To realize the selection function, it is required to know the relationship between the applied electric field and the change of the nuclear magnetic resonance frequency of phosphorus. In this study, based on the wave functions obtained by the effective-mass theory, we introduce an empirical correction factor to the wave functions at the donor nucleus. Using the corrected wave functions, we formulate a first-order perturbation theory for the perturbed system under the influence of an electric field. In order to calculate the potential distributions inside the silicon and the silicon dioxide layers due to the applied electric field, we use the multilayered Green's functions and solve an integral equation by the moment method. This enables us to consider more realistic, arbitrary shape, and three-dimensional qubit structures. With the calculation of the potential distributions, we have investigated the effects of the thicknesses of silicon and silicon dioxide layers, the relative position of the donor, and the applied electric field on the nuclear magnetic resonance frequency of the donor.

Certainty of subject matter in the law of trusts

This piece argued that the accepted orthodoxy concerning the requirement that each individual piece of property is individually segregated for a valid trust to exist is unsupported by the case law, and that there is nothing wrong in principle or theory with a trust that exists for unsegregated property.