arXiv subjects

A. Díaz

Publications and source records attributed to A. Díaz.

14 recordsLinked to original sources

arXiv2025

A COMSOL framework for predicting hydrogen embrittlement -- Part I: coupled hydrogen transport

Hydrogen threatens the structural integrity of metals and thus predicting hydrogen-material interactions is key to unlocking the role of hydrogen in the energy transition. Quantifying the interplay between material deformation and hydrogen diffusion ahead of cracks and other stress concentrators is key to the prediction and prevention of hydrogen-assisted failures. In this work, a generalised theoretical and computational framework is presented that for the first time encompasses: (i) stress-assisted diffusion, (ii) hydrogen trapping due to multiple trap types, rigorously accounting for the rate of creation of dislocation trap sites, (iii) hydrogen transport through dislocations, (iv) equilibrium (Oriani) and non-equilibrium (McNabb-Foster) trapping kinetics, (v) hydrogen-induced softening, and (vi) hydrogen uptake, considering the role of hydrostatic stresses and local electrochemistry. Particular emphasis is placed on the numerical implementation in COMSOL Multiphysics, releasing the relevant models and discussing stability, discretisation and solver details. Each of the elements of the framework is independently benchmarked against results from the literature and implications for the prediction of hydrogen-assisted fractures are discussed. The second part of this work (Part II) shows how these crack tip predictions can be combined with crack growth simulations.

cs.CE↗

arXiv2025

A COMSOL framework for predicting hydrogen embrittlement -- Part II: phase field fracture

Prediction of hydrogen embrittlement requires a robust modelling approach and this will foster the safe adoption of hydrogen as a clean energy vector. A generalised computational model for hydrogen embrittlement is here presented, based on a phase field description of fracture. In combination with Part I of this work, which describes the process of hydrogen uptake and transport, this allows simulating a wide range of hydrogen transport and embrittlement phenomena. The material toughness is defined as a function of the hydrogen content and both elastic and elastic-plastic material behaviour are incorporated, enabling to capture both ductile and brittle fractures, and the transition from one to the other. The accumulation of hydrogen near a crack tip and subsequent embrittlement is numerically evaluated in a single-edge cracked plate, a boundary layer model and a 3D vessel case study, demonstrating the potential of the framework. Emphasis is placed on the numerical implementation, which is carried out in the finite element package COMSOL Multiphysics, and the models are made freely available.

cs.CE↗

arXiv2022

Notch Fracture predictions using the Phase Field method for Ti-6Al-4V produced by Selective Laser Melting after different post-processing conditions

Ti-6Al-4V is a titanium alloy with excellent properties for lightweight applications and its production through Additive Manufacturing processes is attractive for different industrial sectors. In this work, the influence of mechanical properties on the notch fracture resistance of Ti-6Al-4V produced by Selective Laser Melting is numerically investigated. Literature data is used to inform material behaviour. The as-built brittle behaviour is compared to the enhanced ductile response after heat treatment (HT) and hot isostatic pressing (HIP) post-processes. A Phase Field framework is adopted to capture damage nucleation and propagation from two different notch geometries and a discussion on the influence of fracture energy and the characteristic length is carried out. In addition, the influence of oxygen uptake is analysed by reproducing non-inert atmospheres during HT and HIP, showing that oxygen shifts fracture to brittle failures due to the formation of an alpha case layer, especially for the V-notch geometry. Results show that a pure elastic behaviour can be assumed for the as-built SLM condition, whereas elastic-plastic phenomena must be modelled for specimens subjected to heat treatment or hot isostatic pressing. The present brittle Phase Field framework coupled with an elastic-plastic constitutive analysis is demonstrated to be a robust prediction tool for notch fracture after different post-processing routes.

cond-mat.mtrl-sci↗

arXiv2021

Embedded software developments in KM3NeT phase I

The KM3NeT Collaboration has already produced more than one thousand acquisition boards, used for building two deep-sea neutrino detectors at the bottom of the Mediterranean Sea, with the aim of instrumenting a volume of several cubic kilometers with light sensors to detect the Cherenkov radiation produced in neutrino interactions. The the so-called Digital Optical Modules, house the PMTs and the acquisition and control electronics of the module, the Central Logic Board, which includes a Xilinx FPGA and embedded soft processor. The present work presents the architecture and functionalities of the software embedded in the soft processor of the Central Logic Board.

physics.ins-det↗

arXiv2020

Simulation of hydrogen permeation through pure iron for trapping and surface phenomena characterisation

There is a need for numerical models capable of predicting local accumulation of hydrogen near stress concentrators and crack tips to prevent and mitigate hydrogen assisted fracture in steels. The experimental characterisation of trapping parameters in metals, which is required for an accurate simulation of hydrogen transport, is usually performed through the electropermeation test. In order to study grain size influence and grain boundary trapping during permeation, two modelling approaches are explored; a 1D Finite Element model including trap density and binding energy as input parameters and a polycrystalline model based on the assignment of a lower diffusivity and solubility to the grain boundaries. Samples of pure iron after two different heat treatments - 950C for 40 minutes and 1100C for 5 minutes - are tested applying three consecutive rising permeation steps and three decaying steps. Experimental results show that the finer grain microstructure promotes a diffusion delay due to grain boundary trapping. The usual methodology for the determination of trap densities and binding energies is revisited in which the limiting diluted and saturated cases are considered. To this purpose, apparent diffusivities are fitted including also the influence of boundary conditions and comparing results provided by the constant concentration with the constant flux assumption. Grain boundaries are characterised for pure iron with a binding energy between 37.8 and 39.9 kJ/mol and a low trap density but it is numerically demonstrated that saturated or diluted assumptions are not always verified, and a univocal determination of trapping parameters requires a broader range of charging conditions for permeation. The relationship between surface parameters, i.e. charging current, recombination current and surface concentrations, is also studied.

physics.app-ph↗

arXiv2020

Influence of charging conditions on simulated temperature-programmed desorption for hydrogen in metals

Failures attributed to hydrogen embrittlement are a major concern for metals so a better understanding of damage micro-mechanisms and hydrogen diffusion within the metal is needed. Local concentrations depend on transport phenomena including trapping effects, which are usually characterised by a temperature-programmed desorption method often referred to as Thermal Desorption Analysis (TDA). When the hydrogen is released from the specimen during the programmed heating, some desorption peaks are observed that are commonly related to detrapping energies by means of an analytical procedure. The limitations of this approach are revisited here and gaseous hydrogen charging at high temperatures is simulated. This popular procedure enables attaining high concentrations due to the higher solubility of hydrogen at high temperatures. However, the segregation behaviour of hydrogen into traps depends on charging time and temperature. This process and the subsequent cooling alter hydrogen distribution are numerically modelled; it is found that TDA spectra are strongly affected by the charging temperature and the charging time, both for weak and strong traps. However, the influence of ageing time at room temperature after cooling and before desorption is only appreciable for weak traps.

physics.chem-ph↗

arXiv2019

Analysis of hydrogen permeation tests considering two different modelling approaches for grain boundary trapping in iron

The electrochemical permeation test is one of the most used methods for characterising hydrogen diffusion in metals. The flux of hydrogen atoms registered in the oxidation cell might be fitted to obtain apparent diffusivities. The magnitude of this coefficient has a decisive influence on the kinetics of fracture or fatigue phenomena assisted by hydrogen and depends largely on hydrogen retention in microstructural traps. In order to improve the numerical fitting of diffusion coefficients, a permeation test has been reproduced using FEM simulations considering two approaches: a continuum 1D model in which the trap density, binding energy and the input lattice concentrations are critical variables and a polycrystalline model where trapping at grain boundaries is simulated explicitly including a segregation factor and a diffusion coefficient different from that of the interior of the grain. Results show that the continuum model captures trapping delay, but it should be modified to model the trapping influence on the steady state flux. Permeation behaviour might be classified according to different regimes depending on deviation from Fickian diffusion. Polycrystalline synthetic permeation shows a strong influence of segregation on output flux magnitude. This approach is able to simulate also the short-circuit diffusion phenomenon. The comparison between different grain sizes and grain boundary thicknesses by means of the fitted apparent diffusivity shows the relationships between the registered flux and the characteristic parameters of traps.

cond-mat.mtrl-sci↗

arXiv2019

The Essential Work of Fracture Parameters for 3D printed polymer sheets

Additive manufacturing is becoming increasingly popular in academia and industry. Accordingly, there has been a growing interest in characterizing 3D printed samples to determine their structural integrity behaviour. We employ the Essential Work of Fracture (EWF) to investigate the mechanical response of polymer sheets obtained through additive manufacturing. Our goal is twofold; first, we aim at gaining insight into the role of fibre reinforcement on the fracture resistance of additively manufactured polymer sheets. Deeply double-edge notched tensile (DDEN-T) tests are conducted on four different polymers: Onyx, a crystalline, nylon-reinforced polymer, and three standard polymers used in additive manufacturing - PLA, PP and ABS. Results show that fibre-reinforcement translates into a notable increase in fracture resistance, with the fracture energy of Onyx being an order of magnitude higher than that reported for non-reinforced polymers. On the other hand, we propose the use of a miniature test specimen, the deeply double-edge notched small punch specimens (DDEN-SP), to characterize the mechanical response using a limited amount of material. The results obtained exhibit good alignment with the DDEN-T data, suggesting the suitability of the DDEN-SP test for measuring fracture properties of additively manufactured polymers in a cost-effective manner.

physics.app-ph↗

arXiv2018

Pre-notched dog bone small punch specimens for the estimation of fracture properties

In recent years, the pre-notched or pre-cracked small punch test (P-SPT) has been successfully used to estimate the fracture properties of metallic materials for cases in which there is not sufficient material to identify these properties from standard tests, such as CT or SENB specimens. The P-SPT basically consists of deforming a pre-notched miniature specimen, whose edges are firmly gripped by a die, using a high strength punch. The novelty of this paper lies in the estimation of fracture properties using dog-bone-shaped specimens with different confinement levels. With these specimens, three confinement variations have been studied. The results obtained enable the establishment of a variation of fracture properties depending on the level of confinement of each miniature specimen and selection of the most appropriate confinement for this goal.

cond-mat.mtrl-sci↗

arXiv2018

Connection between the Circumnuclear Star-Forming Regions and the active nuclei in NGC 1068

In recent years, Circumnuclear Star Forming Regions (CNSFRs) have been studied in different frequencies and telescopes, diverse studies about connection between nuclear activity and star formation in the CNSFRs were doing using optical data, IFS and models. We obtain data of the Seyfert 2 galaxy NGC 1068 at J band between 1.35-1.32$μ$ using the 8.1m Gemini telescope and GNIRS IFU mode. We found the radial velocity and intensity maps for [FeII]$λ$12570, Pa$β$ $λ$12814 and FeII $λ$13201 lines of all the components. The gas emission has a double origin associated with photoionization by young stars or excitation by collisions, we found a high influence of shocks produced by the jet. The intensity of Pa$β$ emission show that this component is ionized by a younger cluster or more massive stars. From the analysis of the velocity fields, the data related with the component one of Pa$β$ are consistent with the presence of rotation which is displaced from the maximum continuous, our observations may point to the presence of a bar.

astro-ph.GA↗

arXiv2016

CALIFA, the Calar Alto Legacy Integral Field Area survey: IV. Third Public data release

This paper describes the Third Public Data Release (DR3) of the Calar Alto Legacy Integral Field Area (CALIFA) survey. Science-grade quality data for 667 galaxies are made public, including the 200 galaxies of the Second Public Data Release (DR2). Data were obtained with the integral-field spectrograph PMAS/PPak mounted on the 3.5m telescope at the Calar Alto Observatory. Three different spectral setups are available, i) a low-resolution V500 setup covering the wavelength range 3749-7500 AA (4240-7140 AA unvignetted) with a spectral resolution of 6.0 AA (FWHM), for 646 galaxies, ii) a medium-resolution V1200 setup covering the wavelength range 3650-4840 AA (3650-4620 AA unvignetted) with a spectral resolution of 2.3 AA (FWHM), for 484 galaxies, and iii) the combination of the cubes from both setups (called COMBO), with a spectral resolution of 6.0 AA and a wavelength range between 3700-7500 AA (3700-7140 AA unvignetted), for 446 galaxies. The Main Sample, selected and observed according to the CALIFA survey strategy covers a redshift range between 0.005 and 0.03, spans the color-magnitude diagram and probes a wide range of stellar mass, ionization conditions, and morphological types. The Extension Sample covers several types of galaxies that are rare in the overall galaxy population and therefore not numerous or absent in the CALIFA Main Sample. All the cubes in the data release were processed using the latest pipeline, which includes improved versions of the calibration frames and an even further improved im- age reconstruction quality. In total, the third data release contains 1576 datacubes, including ~1.5 million independent spectra. It is available at http://califa.caha.es/DR3.

astro-ph.GA↗

arXiv2014

Imprints of galaxy evolution on H ii regions Memory of the past uncovered by the CALIFA survey

H ii regions in galaxies are the sites of star formation and thus particular places to understand the build-up of stellar mass in the universe. The line ratios of this ionized gas are frequently used to characterize the ionization conditions. We use the Hii regions catalogue from the CALIFA survey (~5000 H ii regions), to explore their distribution across the classical [OIII]/Hbeta vs. [NII]/Halpha diagnostic diagram, and how it depends on the oxygen abundance, ionization parameter, electron density, and dust attenuation. We compared the line ratios with predictions from photoionization models. Finally, we explore the dependences on the properties of the host galaxies, the location within those galaxies and the properties of the underlying stellar population. We found that the location within the BPT diagrams is not totally predicted by photoionization models. Indeed, it depends on the properties of the host galaxies, their galactocentric distances and the properties of the underlying stellar population. These results indicate that although H ii regions are short lived events, they are affected by the total underlying stellar population. One may say that H ii regions keep a memory of the stellar evolution and chemical enrichment that have left an imprint on the both the ionizing stellar population and the ionized gas

astro-ph.GA↗

arXiv2011

CALIFA, the Calar Alto Legacy Integral Field Area survey: I. Survey presentation

We present here the Calar Alto Legacy Integral Field Area (CALIFA) survey, which has been designed to provide a first step in this direction.We summarize the survey goals and design, including sample selection and observational strategy.We also showcase the data taken during the first observing runs (June/July 2010) and outline the reduction pipeline, quality control schemes and general characteristics of the reduced data. This survey is obtaining spatially resolved spectroscopic information of a diameter selected sample of $\sim600$ galaxies in the Local Universe (0.005< z <0.03). CALIFA has been designed to allow the building of two-dimensional maps of the following quantities: (a) stellar populations: ages and metallicities; (b) ionized gas: distribution, excitation mechanism and chemical abundances; and (c) kinematic properties: both from stellar and ionized gas components. CALIFA uses the PPAK Integral Field Unit (IFU), with a hexagonal field-of-view of $\sim1.3\sq\arcmin'$, with a 100% covering factor by adopting a three-pointing dithering scheme. The optical wavelength range is covered from 3700 to 7000 Å, using two overlapping setups (V500 and V1200), with different resolutions: R\sim850 and R\sim1650, respectively. CALIFA is a legacy survey, intended for the community. The reduced data will be released, once the quality has been guaranteed. The analyzed data fulfill the expectations of the original observing proposal, on the basis of a set of quality checks and exploratory analysis. We conclude from this first look at the data that CALIFA will be an important resource for archaeological studies of galaxies in the Local Universe.

astro-ph.CO↗

arXiv2010

Integral Field Spectroscopy of HII region complexes. The outer disk of NGC 6946

Integral Field Spectroscopy obtained with PPak and the 3.5m telescope at the Calar Alto Observatory has been used to study an outer HII region complex in the well studied galaxy NGC 6946. This technique provides detailed maps of the region in different emission lines yielding spatially resolved information about the physical properties of the gas. The configuration was chosen to cover the whole spectrum from 3600 up to 10000 A. We selected four luminous knots, to perform a detailed integrated spectroscopic analysis of these structures and of the whole PPak field-of-view (FOV). For all the knots the electron density has been found to be very similar and below 100 cm^-3. The [OIII] electron temperature was measured in knots A, B, C and in the integrated PPak-field, and was found to be around 8000 K. The temperatures of [OII] and [SIII] were estimated in the four cases. The elemental abundances computed from the "direct method" are typical of high metallicity disk HII regions, with a mean value of 12+log(O/H)= 8.65, comparable to what has been found in this galaxy by other authors for regions at similar galactocentric distance. Therefore, a remarkable abundance uniformity is found despite the different excitations found throughout the nebula. Wolf-Rayet features have been detected in three of the knots, leading to a derived total number of WR stars of 125, 22 and 5, for knots A, C and B, respectively. The integrated spectrum of the whole PPak FOV shows high excitation and a relatively evolved age which does not correspond to the individual knot evolutionary stages. Some effects associated to the loss of spatial resolution could also be evidenced by the higher ionising temperature that is deduced from the eta' parameter measured in the integrated PPak spectrum with respect to that of the individual knots.

astro-ph.CO↗