Model, Metamodel and Topology

This reply to Gash’s (Found Sci 2013) commentary on Nescolarde-Selva and Usó-Doménech (Found Sci 2013) answers the three questions raised and at the same time opens up new questions.

The incorporation of construction and demolition wastes as recycled mixed aggregates in non-structural concrete precast pieces

Concern for the environment has lately heightened awareness about the need for recycling in the construction industry. However, some standards, such as the Spanish standard, only accept the recycling of aggregates derived from concrete, which limits the extensive use of construction and demolition waste, which are produced in much bigger volumes. The aim of this work was to explore the possibility of using recycled mixed aggregates (RMA) in the preparation of precast non-structural concretes. To that end different percentages of natural aggregate were replaced by RMA in non-structural elements (25, 50, 75 and 100%). Contents of cement, water, and the dosages commonly used by companies were unchanged by the introduction of RMA. The characterization of the prepared elements has been done using the specific tests for each type of non-structural element (terrazzo for indoor use, hollow tiles, kerbstones and paving blocks): compression and flexural strength, water absorption, dimensional tolerances, abrasion and slipping resistance. The paving blocks, kerbstones, and hollow tiles prepared were tested for 360 days. The stability of the tested properties confirmed the possibility of using these wastes on an industrial scale satisfying the standard requirements. However, the surface of terrazzo with RMA is not as good as that prepared with natural aggregate.

Polarimetric SAR model for soil moisture estimation over vineyards at C-band

In this paper we propose a two-component polarimetric model for soil moisture estimation on vineyards suited for C-band radar data. According to a polarimetric analysis carried out here, this scenario is made up of one dominant direct return from the soil and a multiple scattering component accounting for disturbing and nonmodeled signal fluctuations from soil and short vegetation. We propose a combined X-Bragg/Fresnel approach to characterize the polarized direct response from soil. A validation of this polarimetric model has been performed in terms of its consistency with respect to the available data both from RADARSAT-2 and from indoor measurements. High inversion rates are reported for different phenological stages of vines, and the model gives a consistent interpretation of the data as long as the volume component power remains about or below 50% of the surface contribution power. However, the scarcity of soil moisture measurements in this study prevents the validation of the algorithm in terms of the accuracy of soil moisture retrieval and an extensive campaign is required to fully demonstrate the validity of the model. Different sources of mismatches between the model and the data have been also discussed and analyzed.

Exact and analytic-numerical solutions of lagging models of heat transfer in a semi-infinite medium

Different non-Fourier models of heat conduction have been considered in recent years, in a growing area of applications, to model microscale and ultrafast, transient, nonequilibrium responses in heat and mass transfer. In this work, using Fourier transforms, we obtain exact solutions for different lagging models of heat conduction in a semi-infinite domain, which allow the construction of analytic-numerical solutions with prescribed accuracy. Examples of numerical computations, comparing the properties of the models considered, are presented.

Self-heating and deicing conductive cement. Experimental study and modeling

This research studies the self-heating produced by the application of an electric current to conductive cement pastes with carbonaceous materials. The main parameters studied were: type and percentage of carbonaceous materials, effect of moisture, electrical resistance, power consumption, maximum temperature reached and its evolution and ice melting kinetics are the main parameters studied. A mathematical model is also proposed, which predicts that the degree of heating is adjustable with the applied voltage. Finally, the results have been applied to ensure that cementitious materials studied are feasible to control ice layers in transportation infrastructures.

Can model Hamiltonians describe the electron–electron interaction in π-conjugated systems?: PAH and graphene

Model Hamiltonians have been, and still are, a valuable tool for investigating the electronic structure of systems for which mean field theories work poorly. This review will concentrate on the application of Pariser–Parr–Pople (PPP) and Hubbard Hamiltonians to investigate some relevant properties of polycyclic aromatic hydrocarbons (PAH) and graphene. When presenting these two Hamiltonians we will resort to second quantisation which, although not the way chosen in its original proposal of the former, is much clearer. We will not attempt to be comprehensive, but rather our objective will be to try to provide the reader with information on what kinds of problems they will encounter and what tools they will need to solve them. One of the key issues concerning model Hamiltonians that will be treated in detail is the choice of model parameters. Although model Hamiltonians reduce the complexity of the original Hamiltonian, they cannot be solved in most cases exactly. So, we shall first consider the Hartree–Fock approximation, still the only tool for handling large systems, besides density functional theory (DFT) approaches. We proceed by discussing to what extent one may exactly solve model Hamiltonians and the Lanczos approach. We shall describe the configuration interaction (CI) method, a common technology in quantum chemistry but one rarely used to solve model Hamiltonians. In particular, we propose a variant of the Lanczos method, inspired by CI, that has the novelty of using as the seed of the Lanczos process a mean field (Hartree–Fock) determinant (the method will be named LCI). Two questions of interest related to model Hamiltonians will be discussed: (i) when including long-range interactions, how crucial is including in the Hamiltonian the electronic charge that compensates ion charges? (ii) Is it possible to reduce a Hamiltonian incorporating Coulomb interactions (PPP) to an 'effective' Hamiltonian including only on-site interactions (Hubbard)? The performance of CI will be checked on small molecules. The electronic structure of azulene and fused azulene will be used to illustrate several aspects of the method. As regards graphene, several questions will be considered: (i) paramagnetic versus antiferromagnetic solutions, (ii) forbidden gap versus dot size, (iii) graphene nano-ribbons, and (iv) optical properties.