Comparació de la tecnologia LiDAR vers els mètodes tradicionals d’inventari forestal, a la finca La Vall de Benifallet, al Baix Ebre

L’inventari forestal és una eina molt important per obtenir la informació necessària, sobre una massa arbrada, respecte a la seva situació actual i la seva possible evolució en el temps, a fi i efecte de poder prendre les decisions necessàries sobre la seva planificació i gestió. Amb aquest treball s’ha volgut avaluar la possible millora que es pot obtenir aplicant les noves tecnologies en la realització dels inventaris forestals, com la tecnologia LiDAR (Light Detection and Ranging). El mètode tradicional de realitzar un inventari forestal, consisteix en anar a camp i prendre dades d’unes mostres representatives, de les variables dasomètriques que caracteritzen una massa forestal. La tecnologia LiDAR és un sistema de teledetecció que calcula distàncies a partir de, la mesura del temps entre l’emissió d’un làser polsat i el seu retorn desprès de la seva reflexió en tocar terra. El resultat és un núvol de punts a diferents alçades, amb el qual s’aconsegueix un Model Digital del Terreny (MDT) i un Model Digital de Superfície (MDS). De la resta d’aquests dos models s’obté una imatge de l’estructura vertical de la vegetació, a partir de la qual es poden deduir dades bàsiques del bosc amb mesures per tot el territori. L’àrea d’estudi on es va dur a terme el present treball, és una finca del terme municipal de Benifallet, al Baix Ebre, província de Tarragona. L’estudi ha consistit en la comparació dels dos mètodes, tradicional i LiDAR, a l’hora d’obtenir les variables de densitat, alçada i fracció de cabuda coberta (FCC). El mètode tradicional consisteix en mesurar les variables en 24 parcel•les representatives i posteriorment, en extrapolar-les als estrats, que són les unitats en que es divideix la part de la finca on es realitza l’inventari. En el mètode utilitzant la tecnologia LiDAR, s’utilitzen dos tipus de resolucions (8 píxels i 24 píxels) a l’hora de treballar amb les dades

Disseny i implementació d'una base de dades relacional per a un concessionari de vehicles

Disseny i implementació d'una base de dades relacional per a un concessionari de vehicles.

Irrigation performance and gross water productivity in furrow-irrigated ornamental tree production

In the ornamental plant production region of Girona (Spain), which is one of the largest of its kind in southern Europe, most of the surface is irrigated using wide blocked-end furrows. The objectives of this paper were: (1) to evaluate the irrigation scheduling methods used by ornamental plant producers; (2) to analyse different scenarios inorder to assess how they affect irrigation performance; (3) to evaluate the risk of deep percolation; and (4) to calculategross water productivity. A two-year study in a representative commercial field, planted with Prunus cerasifera ‘Nigra’, was carried out. The irrigation dose applied by the farmers was slightly smaller than the required water dose estimated by the use of two different methods: the first based on soil water content, and the second based on evapotranspiration. Distribution uniformity and application efficiency were high, with mean values above 87%. Soil water contentmeasurements revealed that even at the end of the furrow, where the infiltrated water depth was greatest, more than 90% of the infiltrated water was retained in the shallowest 40 cm of the soil; accordingly, the risk of water loss due to deep percolation was minimal. Gross water productivity for ornamental tree production was € 11.70 m–3, approximately 20 times higher than that obtained with maize in the same region

Estudi medi ambiental del centre de mecanitzat Kondia HS1000 quan s'utilitza com a màquina d'ISF

Aproximadament deu anys enrere, es va començar a desenvolupar un nou procés industrial de deformació de xapa anomenat conformació incremental de xapa, Incremental Sheet Forming (ISF) en anglès. En aquest procés, una làmina de xapa és subjectada per un suport i conformada per una eina que normalment és un punxó amb punta semiesfèrica que es mou segons les directrius d’un software de control numèric. Aquest moviment de l’eina es fa en el pla, i un cop ja s’ha realitzat un contorn, l’eina baixa per realitzar-ne un altre i així successivament fins a la realització de la peça desitjada. Aquest procés de conformat de xapa està considerat com una alternativa al procés d’embotició, i la seva principal avantatge és que es pot considerar una gran alternativa al procés d’embotició per a la fabricació de petits lots de producte. La diferència més destacable és que en el procés de conformació incremental de xapa no es necessiten grans matrius ni punxons, que són molt costosos ja que han de garantir unes precisions molt elevades. A l’actualitat, aquest sistema encara es troba en fase d’investigació, no hi ha estudis definitius que aportin resultats fiables sobre la viabilitat del procés en aplicacions industrials, però cada vegada hi ha més equips de treball universitaris que es dediquen a estudiar-lo i més empreses que l’estan introduint en els seus departaments de I+D per tal d’adaptar els seus processos de fabricació a aquesta nova tecnologia. Un dels equips de treball que estan investigant aquest procés es el Grup de Recerca d’Enginyeria de Producte, Procés i Producció (GREP) situat al parc científic i tecnològic de l’Universitat de Girona. Disposen d’un centre de mecanitzat CNC de la marca Kondia model HS1000 que actualment es troba en període d’adaptació per tal de desenvolupar una màquina híbrida en la qual es duran a terme processos de conformació de xapa i sinterització per làser. Per tal d’adaptar la màquina, una part dels estudis que s’han de realitzar és la investigació sobre el consum i emissions de CO2 generades durant el procés de fabricació. Així doncs, aquest projecte final de carrera és aquest estudi de forma experimental i teòrica sobre el consum energètic del centre de mecanitzat, quan s’utilitza amb la tècnica de Incremental Sheet Forming (ISF). Es pretén estudiar el consum energètic de la tecnologia tenint en compte paràmetres de procés com ara el material, geometries, energia elèctrica consumida i programació de la trajectòria de l’eina, paràmetres relacionats amb l’origen de l’energia i aspectes relacionats amb els costos de producció

Disseny d’una nau industrial amb estructura i fonamentació de formigó prefabricat

L’objectiu d’aquest treball és realitzar un projecte on es buscaran diferents tipus de sabates prefabricada de formigó que hi ha en el mercat, per tal de seleccionar la més adequada a través d’una sèrie de càlculs, tant des del punt de vista tècnic, de facilitat de muntatge i de transport, com econòmic, i d’aquesta manera arribar a una solució. Aquest projecte és un subprojecte d’un altre que correspon a la construcció de la totalitat de la nau industrial prefabricada. Per tant, la part important d’aquest projecte és l’estudi de les sabates prefabricades de formigó, el qual, es realitzarà partint d’una informació addicional, que aparentment sembla poc important, però, en realitat, és imprescindible per dur-lo a terme

A systematic and feasible method for computing nuclear contributions to electrical properties of polyatomic molecules

An analytic method to evaluate nuclear contributions to electrical properties of polyatomic molecules is presented. Such contributions control changes induced by an electric field on equilibrium geometry (nuclear relaxation contribution) and vibrational motion (vibrational contribution) of a molecular system. Expressions to compute the nuclear contributions have been derived from a power series expansion of the potential energy. These contributions to the electrical properties are given in terms of energy derivatives with respect to normal coordinates, electric field intensity or both. Only one calculation of such derivatives at the field-free equilibrium geometry is required. To show the useful efficiency of the analytical evaluation of electrical properties (the so-called AEEP method), results for calculations on water and pyridine at the SCF/TZ2P and the MP2/TZ2P levels of theory are reported. The results obtained are compared with previous theoretical calculations and with experimental values

Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers

Restricted Hartree-Fock 6-31G calculations of electrical and mechanical anharmonicity contributions to the longitudinal vibrational second hyperpolarizability have been carried out for eight homologous series of conjugated oligomers - polyacetylene, polyyne, polydiacetylene, polybutatriene, polycumulene, polysilane, polymethineimine, and polypyrrole. To draw conclusions about the limiting infinite polymer behavior, chains containing up to 12 heavy atoms along the conjugated backbone were considered. In general, the vibrational hyperpolarizabilities are substantial in comparison with their static electronic counterparts for the dc-Kerr and degenerate four-wave mixing processes (as well as for static fields) but not for electric field-induced second harmonic generation or third harmonic generation. Anharmonicity terms due to nuclear relaxation are important for the dc-Kerr effect (and for the static hyperpolarizability) in the σ-conjugated polymer, polysilane, as well as the nonplanar π systems polymethineimine and polypyrrole. Restricting polypyrrole to be planar, as it is in the crystal phase, causes these anharmonic terms to become negligible. When the same restriction is applied to polymethineimine the effect is reduced but remains quantitatively significant due to the first-order contribution. We conclude that anharmonicity associated with nuclear relaxation can be ignored, for semiquantitative purposes, in planar π-conjugated polymers. The role of zero-point vibrational averaging remains to be evaluated

Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes

Møller-Plesset (MP2) and Becke-3-Lee-Yang-Parr (B3LYP) calculations have been used to compare the geometrical parameters, hydrogen-bonding properties, vibrational frequencies and relative energies for several X- and X+ hydrogen peroxide complexes. The geometries and interaction energies were corrected for the basis set superposition error (BSSE) in all the complexes (1-5), using the full counterpoise method, yielding small BSSE values for the 6-311 + G(3df,2p) basis set used. The interaction energies calculated ranged from medium to strong hydrogen-bonding systems (1-3) and strong electrostatic interactions (4 and 5). The molecular interactions have been characterized using the atoms in molecules theory (AIM), and by the analysis of the vibrational frequencies. The minima on the BSSE-counterpoise corrected potential-energy surface (PES) have been determined as described by S. Simón, M. Duran, and J. J. Dannenberg, and the results were compared with the uncorrected PES

The mapping of the local contributions of Fermi and Coulomb correlation into intracule and extracule density distributions

The contributions of the correlated and uncorrelated components of the electron-pair density to atomic and molecular intracule I(r) and extracule E(R) densities and its Laplacian functions ∇2I(r) and ∇2E(R) are analyzed at the Hartree-Fock (HF) and configuration interaction (CI) levels of theory. The topologies of the uncorrelated components of these functions can be rationalized in terms of the corresponding one-electron densities. In contrast, by analyzing the correlated components of I(r) and E(R), namely, IC(r) and EC(R), the effect of electron Fermi and Coulomb correlation can be assessed at the HF and CI levels of theory. Moreover, the contribution of Coulomb correlation can be isolated by means of difference maps between IC(r) and EC(R) distributions calculated at the two levels of theory. As application examples, the He, Ne, and Ar atomic series, the C2-2, N2, O2+2 molecular series, and the C2H4 molecule have been investigated. For these atoms and molecules, it is found that Fermi correlation accounts for the main characteristics of IC(r) and EC(R), with Coulomb correlation increasing slightly the locality of these functions at the CI level of theory. Furthermore, IC(r), EC(R), and the associated Laplacian functions, reveal the short-ranged nature and high isotropy of Fermi and Coulomb correlation in atoms and molecules

The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules

A topological analysis of intracule and extracule densities and their Laplacians computed within the Hartree-Fock approximation is presented. The analysis of the density distributions reveals that among all possible electron-electron interactions in atoms and between atoms in molecules only very few are located rigorously as local maxima. In contrast, they are clearly identified as local minima in the topology of Laplacian maps. The conceptually different interpretation of intracule and extracule maps is also discussed in detail. An application example to the C2H2, C2H4, and C2H6 series of molecules is presented

Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations

In the finite field (FF) treatment of vibrational polarizabilities and hyperpolarizabilities, the field-free Eckart conditions must be enforced in order to prevent molecular reorientation during geometry optimization. These conditions are implemented for the first time. Our procedure facilities identification of field-induced internal coordinates that make the major contribution to the vibrational properties. Using only two of these coordinates, quantitative accuracy for nuclear relaxation polarizabilities and hyperpolarizabilities is achieved in π-conjugated systems. From these two coordinates a single most efficient natural conjugation coordinate (NCC) can be extracted. The limitations of this one coordinate approach are discussed. It is shown that the Eckart conditions can lead to an isotope effect that is comparable to the isotope effect on zero-point vibrational averaging, but with a different mass-dependence

Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates

An analytical set of field-induced coordinates is defined and is used to show that the vibrational degrees of freedom required to completely describe nuclear relaxation polarizabilities and hyperpolarizabilities is reduced from 3N-6 to a relatively small number. As this number does not depend upon the size of the molecule, the process provides computational advantages. A method is provided to separate anharmonic contributions from harmonic contributions as well as effective mechanical from electrical anharmonicity. The procedures are illustrated by Hartree-Fock calculations, indicating that anharmonicity can be very important

Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties

Three conjugated organic molecules that span a range of polarity and valence-bond/charge transfer characteristics were studied. It was found that dispersion can be insignificant, and that adequate treatment can be achieved with frequency-dependent field-induced vibrational coordinates (FD-FICs)

Nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties by means of electrical property expansions: Application to HF, CH4, CF4, and SF6

Electrical property derivative expressions are presented for the nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties. For CF4 and SF6, as opposed to HF and CH4, a term that is quadratic in the vibrational anharmonicity (and not previously evaluated for any molecule) makes an important contribution to the static second vibrational hyperpolarizability of CF4 and SF6. A comparison between calculated and experimental values for the difference between the (anisotropic) Kerr effect and electric field induced second-harmonic generation shows that, at the Hartree-Fock level, the nuclear relaxation/infinite frequency approximation gives the correct trend (in the series CH4, CF4, SF6) but is of the order of 50% too small

Electron localization function at the correlated level

The electron localization function (ELF) has been proven so far a valuable tool to determine the location of electron pairs. Because of that, the ELF has been widely used to understand the nature of the chemical bonding and to discuss the mechanism of chemical reactions. Up to now, most applications of the ELF have been performed with monodeterminantal methods and only few attempts to calculate this function for correlated wave functions have been carried out. Here, a formulation of ELF valid for mono- and multiconfigurational wave functions is given and compared with previous recently reported approaches. The method described does not require the use of the homogeneous electron gas to define the ELF, at variance with the ELF definition given by Becke. The effect of the electron correlation in the ELF, introduced by means of configuration interaction with singles and doubles calculations, is discussed in the light of the results derived from a set of atomic and molecular systems