Javier Segurado

Javier Segurado
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Javier verified their affiliation via an institutional email.
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Javier verified their affiliation via an institutional email.
Universidad Politécnica de Madrid | UPM · Departamento de Ciencia de los Materiales

Professor

About

164
Publications
45,448
Reads
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7,266
Citations
Additional affiliations
January 2008 - present
Madrid Institute for Advanced Studies
Position
  • Researcher (head of Multiscale Materials Modeling group)
January 2004 - present
Universidad Politécnica de Madrid

Publications

Publications (164)
Article
Full-text available
FFT methods have become a fundamental tool in computational micromechanics since they were first proposed in 1994 by Moulinec and Suquet for the homogenization of composites. Since then many different approaches have been proposed for a more accurate and efficient resolution of the non-linear homogenization problem. Furthermore, the method has been...
Article
Full-text available
Object kinetic Monte Carlo (OkMC) is a fundamental tool for modeling defect evolution in volumes and times far beyond atomistic models. The elastic interaction between defects is classically considered using a dipolar approximation but this approach is limited to simple cases and can be inaccurate for large and close interacting defects. In this wo...
Article
Full-text available
A stochastic discrete slip approach is proposed to model plastic deformation in submicron domains. The model is applied to the study of submicron pillar (D <= 1 um) compression experiments on tungsten (W), a prototypical metal for applications under extreme conditions. Slip events are geometrically resolved in the specimen and considered as eigenst...
Article
Full-text available
Modeling the propagation of cracks at the microscopic level is fundamental to understand the effect of the microstructure on the fracture process. Nevertheless, microscopic propagation is often unstable and when using phase‐field fracture poor convergence is found or, in the case of using staggered algorithms, leads to the presence of jumps in the...
Preprint
Full-text available
Modeling the propagation of cracks at the microscopic level is fundamental to understand the effect of the microstructure on the fracture process. Nevertheless, microscopic propagation is often unstable and when using phase field fracture poor convergence is found or, in the case of using staggered algorithms, leads to the presence of jumps in the...
Preprint
Full-text available
An FFT based method is proposed to simulate chemo-mechanical problems at the microscale including fracture, specially suited to predict crack formation during the intercalation process in batteries. The method involves three fields fully coupled, concentration, deformation gradient and damage. The mechanical problem is set in a finite strain framew...
Article
Full-text available
Additive manufacturing of Ti-6Al-4V alloy via laser powder-bed fusion leads to non-equilibrium α ′ martensitic microstructures, with high strength but poor ductility and toughness. These properties may be modified by heat treatments, whereby the α ′ phase decomposes into equilibrium α + β structures, while possibly conserving microstructural featur...
Article
Full-text available
This study introduces a microstructure-sensitive fatigue life prediction framework based on CP-FFT which includes the effect of surface roughness. The model is applied to flat Hastelloy-X specimens fabricated using Selective Laser Melting. The surface roughness measured is incorporated introducing a free surface with sinusoidal profile. The framewo...
Article
Full-text available
We propose a finite element framework to analyze the diffusion-induced mechanical degradation in graphite active particles (APs) due to bulky anion intercalation in dual-graphite batteries (DGBs). Finite strain formulation is considered to account for the large volume expansion that typically occurs in graphite cathodes. The proposed model consider...
Preprint
Full-text available
Phase-field models are widely employed to simulate microstructure evolution during processes such as solidification or heat treatment. The resulting partial differential equations, often strongly coupled together, may be solved by a broad range of numerical methods, but this often results in a high computational cost, which calls for advanced numer...
Article
Full-text available
Phase-field models are widely employed to simulate microstructure evolution during processes such as solidification or heat treatment. The resulting partial differential equations, often strongly coupled together, may be solved by a broad range of numerical methods, but this often results in a high computational cost, which calls for advanced numer...
Article
Although “classical” multi-scale methods can capture the behaviour of cellular, including lattice, materials, when considering lattices or metamaterial local instabilities, corresponding to a change of the micro-structure morphology, classical computational homogenisation methods fail. On the one hand, first order computational homogenisation, whic...
Article
Full-text available
An FFT-based algorithm is developed to simulate the propagation of elastic waves in heterogeneous d-dimensional rectangular shape domains. The method allows one to prescribe the displacement as a function of time in a subregion of the domain, emulating the application of Dirichlet boundary conditions on an outer face. Time discretization is perform...
Preprint
Full-text available
An FFT-based algorithm is developed to simulate the propagation of elastic waves in heterogeneous $d$-dimensional rectangular shape domains. The method allows one to prescribe the displacement as a function of time in a subregion of the domain, emulating the application of Dirichlet boundary conditions on an outer face. Time discretization is perfo...
Preprint
Full-text available
A microstructure-sensitive fatigue life prediction framework based on CP-FFT is proposed to study SLM fabricated Hastelloy-X. The microstructure enters in the model through the shape, size and orientation distributions of grains in the RVEs, which are generated from experimental EBSD data. The framework has been applied to specimens built in two di...
Article
Full-text available
A microstructure-sensitive fatigue life prediction framework based on CP-FFT is proposed to study SLM fabricated Hastelloy-X. The microstructure enters in the model through the shape, size and orientation distributions of grains in the RVEs, which are generated from experimental EBSD data. The framework has been applied to specimens built in two di...
Article
Single-crystal-like stainless steel 316L (SS316L) was tailored by laser beam powder bed fusion (PBF-LB). Tensile responses along the <100>, <110> and <111> crystallographic directions show considerably different strength ratios in different orientations from a standard face-centered cubic (FCC) alloy. A multi-scale crystal plasticity modelling meth...
Article
Full-text available
Selective laser sintering (SLS) of polymers has made possible the introduction of lattice-based cells as building blocks of polymer parts, allowing to obtain optimal specific properties. The actual mechanical performance of an SLS part is strongly dependent on the printing direction and part shape. Nevertheless, macroscopic testing is not usually p...
Article
Full-text available
A generalized line tension model has been developed to estimate the critical resolved shear stress in precipitation hardened alloys. The model is based in previous line tension models for regular arrays of either impenetrable or shearable spherical precipitates that were expanded to take into account the effect of the elastic mismatch between the m...
Article
Full-text available
An FFT based polycrystalline homogenization framework is proposed to predict the temperature-dependent response of SLM parts fabricated in Hastelloy-X, and to ascertain the origin of the differences in the mechanical response experimentally observed for different printing directions and part thicknesses. Several specimens are considered, built and...
Preprint
Full-text available
A generalized line tension model has been developed to estimate the critical resolved shear stress in precipitation hardened alloys. The model is based in previous line tension models for regular arrays of either impenetrable or shearable spherical precipitates that were expanded to take into account the effect of the elastic mismatch between the m...
Article
Full-text available
We present a computational homogenization study on the particle size effect in ductile composites. The micromechanical formulation is based on non-local models through (i) the incorporation of a lower-order strain gradient plasticity model and (ii) the application of an implicit gradient regularization technique to the Gurson-Tvergaard-Needleman du...
Article
Full-text available
An FFT framework which preserves a good numerical performance in the case of domains with large regions of empty space is proposed and analyzed for its application to lattice based materials. Two spectral solvers specially suited to resolve problems containing phases with zero stiffness are considered (1) a Galerkin approach combined with the MINRE...
Article
Full-text available
The deformation of crystalline materials by dislocation motion takes place in discrete amounts determined by the Burgers vector. Dislocations may move individually or in bundles, potentially giving rise to intermittent slip. This confers plastic deformation with a certain degree of variability that can be interpreted as being caused by stochastic f...
Article
Full-text available
A method based on the Fast Fourier Transform is proposed to obtain the dispersion relation of acoustic waves in heterogeneous periodic media with arbitrary microstructures. The microstructure is explicitly considered using a voxelized Representative Volume Element (RVE). The dispersion diagram is obtained solving an eigenvalue problem for Bloch wav...
Preprint
Full-text available
An FFT framework which preserves a good numerical performance in the case of domains with large regions of empty space is proposed and analyzed for its application to lattice based materials. Two spectral solvers specially suited to resolve problems containing phases with zero stiffness are considered (1) a Galerkin approach combined with the MINRE...
Article
Full-text available
The simulation of fracture using continuum ductile damage models attains a pathological discretization dependence caused by strain localization, after loss of ellipticity of the problem, in regions whose size is connected to the spatial discretization. Implicit gradient techniques suppress this problem introducing some inelastic non-local fields an...
Preprint
Full-text available
A method based on the Fast Fourier Transform is proposed to obtain the dispersion relation of acoustic waves in heterogeneous periodic media with arbitrary microstructures. The microstructure is explicitly considered using a voxelized Representative Volume Element (RVE). The dispersion diagram is obtained solving an eigenvalue problem for Bloch wav...
Preprint
Full-text available
The simulation of fracture using continuum ductile damage models attains a pathological discretization dependence caused by strain localization, after loss of ellipticity of the problem, in regions whose size is connected to the spatial discretization. Implicit gradient techniques suppress this problem introducing some inelastic non-local fields an...
Article
The critical resolved shear stress of an Al 4 wt. % Cu alloy containing a homogeneous distribution of θ′′ precipitates was determined by means of dislocation dynamics simulations. The size distribution, shape, orientation and volume fraction of the precipitates in the alloy were obtained from transmission electron microscopy observations while the...
Preprint
Full-text available
The critical resolved shear stress of an Al 4 wt. \% Cu alloy containing a homogeneous distribution of $\theta''$ precipitates was determined by means of dislocation dynamics simulations. The size distribution, shape, orientation and volume fraction of the precipitates in the alloy were obtained from transmission electron microscopy observations wh...
Article
Full-text available
A fast Fourier transform (FFT) based method is developed to model the pseudo-elastic behavior and shape-memory effect in phase transforming materials. An infinitesimal strain based variational FFT formulation is adapted and enhanced to enable the solution of nonlinear, stress-controlled and thermo-mechanical problems. The capabilities of the method...
Article
The purpose of continuum plasticity models is to efficiently predict the behavior of structures beyond their elastic limits. The purpose of multiscale materials science models, among them crystal plasticity models, is to understand the material behavior and design the material for a given target. The current successful continuum hyperelastoplastic...
Preprint
Full-text available
The purpose of continuum plasticity models is to efficiently predict the behavior of structures beyond their elastic limits. The purpose of multiscale materials science models, among them crystal plasticity models, is to understand the material behavior and design the material for a given target. The current successful continuum hyperelastoplastic...
Article
Full-text available
The flow stress behaviour of a directionally solidified nickel-base superalloy, MAR-M247, is presented through the combination of experiments and crystal-plasticity simulations. The experimental campaign encompassed quasi-static and dynamic testing in the parallel and perpendicular orientation with respect to the columnar grains. The material showe...
Article
Full-text available
A novel approach has been developed to estimate fatigue life at the specimen/component level from the simulation of relatively small Representative Volume Elements (RVE) of the polycrystalline microstructure. This technique allows to estimate the statistical distribution of fatigue lives under general multiax-ial loading conditions accounting for b...
Article
The objective of this work is to assess the accuracy of different approaches to represent the microstructure of a polycrystalline sample using EBSD (electron backscatter diffraction) maps of a single external surface as input. To this aim, the stress and strain fields predicted using the finite element method and considering either columnar grains,...
Chapter
Full-text available
A virtual testing methodology to obtain the mechanical response of a polycrystal as function of its microstructure is presented and applied to an Inconel 718 Ni-based superalloy. The mechanical behavior of the polycrystal for a given deformation history is obtained by the finite element simulation of the response of representative volume elements o...
Preprint
Full-text available
A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain boundaries is driven by grain boundary dislocations climb. The model is stated in terms of general balance laws a...
Preprint
Full-text available
The mechanisms of dislocation/precipitate interactions were analyzed in an Al-Cu alloy containing a homogeneous dispersion of $\theta'$ precipitates by means of discrete dislocation dynamics simulations. The simulations were carried out within the framework of the discrete-continuous method and the precipitates were assumed to be impenetrable by di...
Article
Full-text available
A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain boundaries is driven by grain boundary dislocations climb. The model is stated in terms of general balance laws a...
Article
The mechanisms of dislocation/precipitate interactions were analyzed in an Al–Cu alloy containing a homogeneous dispersion of θ′ precipitates by means of discrete dislocation dynamics simulations. The simulations were carried out within the framework of the discrete-continuous method and the precipitates were assumed to be impenetrable by dislocati...
Article
Full-text available
The influence of grain size on the flow stress of various FCC polycrystals (Cu, Al, Ag and Ni) has been analyzed by means of computational homogenization of a representative volume element of the microstructure using a FFT approach in combination with a strain gradient crystal plasticity model. The density of geometrically necessary dislocations re...
Article
Full-text available
Within the framework of computational micromechanics (CMM), a simulation toolset is being developed to predict the mechanical behavior of fiber-reinforced polymers from the measured properties and spatial distribution of the different phases and interfaces in the composite. Towards this end, a numerical methodology is proposed herein for the genera...
Preprint
Full-text available
The influence of grain size on the flow stress of various FCC polycrystals (Cu, Al, Ag and Ni) has been analyzed by means of computational homogenization of a representative volume element of the microstructure using a FFT approach in combination with a strain gradient crystal plasticity model. The density of geometrically necessary dislocations re...
Preprint
The effect of slip transfer on the deformation mechanisms of Al bicrystals was explored using a rate-dependent dislocation-based crystal plasticity model. Three different types of grain boundaries (GBs) were included in the model by modifying the rate of dislocation accumulation near the GB in the Kocks-Mecking law, leading to fully-opaque (disloca...
Article
Full-text available
Most of the FFT methods available for homogenization of the mechanical response use the strain/deformation gradient as unknown, imposing their compatibility using Green's functions or projection operators. This implies the allocation of redundant information and, when the method is based in solving a linear equation, the rank-deficiency of the resu...
Article
Full-text available
The effect of slip transfer on the deformation mechanisms of Al bicrystals was explored using a rate-dependent dislocation-based crystal plasticity model. Three different types of grain boundaries (GBs) were included in the model by modifying the rate of dislocation accumulation near the GB in the Kocks-Mecking law, leading to fully-opaque (disloca...
Preprint
Ductile fracture has been extensively studied in metals with weak mechanical anisotropy such as copper and aluminum. The fracture of more anisotropic metals, especially those with a hexagonal crystal structure (e.g. titanium), remains far less understood. This paper investigates the ductile fracture process in commercially pure titanium (CP-Ti) wit...
Article
Full-text available
Ductile fracture has been extensively studied in metals with weak mechanical anisotropy such as copper and aluminum. The fracture of more anisotropic metals, especially those with a hexagonal crystal structure (e.g. titanium), remains far less understood. This paper investigates the ductile fracture process in commercially pure titanium (CP-Ti) wit...
Preprint
Full-text available
Most of the FFT methods available for homogenization of the mechanical response use the strain/deformation gradient as unknown, imposing their compatibility using Green's functions or projection operators. This implies the allocation of redundant information and, when the method is based in solving a linear equation, the rank-deficiency of the resu...
Conference Paper
Full-text available
Se ha desarrollado un modelo basado en la aproximación "weakest link"para estimar la vida en fatiga a nivel de espécimen o componente. El modelo se apoya en la micromecánica computacional donde el comportamiento macroscópico se obtiene mediante la simulación de Elementos Representativos de la microestructura policristalina (RVE). El comportamiento...
Article
Accurate predictions of thermo-mechanically coupled process in metals can lead to a reduction of cost and an increase of productivity in manufacturing processes such as forming. For modeling these coupled processes with the finite element method, accurate descriptions of both the mechanical and the thermal responses of the material, as well as thei...
Article
A new algorithm is proposed to impose a macroscopic stress or mixed stress/deformation gradient history in the context of non‐linear Galerkin based FFT homogenization. The method proposed is based in the definition of a modified projection operator in which the null frequencies enforce the type of control (stress or strain) for each component of ei...
Preprint
Full-text available
Accurate predictions of thermo-mechanically coupled process in metals can lead to a reduction of cost and an increase of productivity in manufacturing processes such as forming. For modeling these coupled processes with the finite element method, accurate descriptions of both the mechanical and the thermal responses of the material, as well as thei...
Article
Full-text available
A framework based on FFT is proposed for micromechanical fatigue modeling of polycrystals as alternative to the Finite Element method (FEM). The variational FFT approach [1, 2] is used with a crystal plasticity model for the cyclic behavior of the grains introduced through a FEM material subroutine, in particular an Abaqus umat. The framework also...
Article
The present work aims to compare the local strain fields on the microscopic scale of an austenitic stainless steel 316L sample during tension loading, obtained by experimental measurements and simulations. Experimentally, Digital Image Correlation (DIC) technique is used to track the strain maps during the specimen loading. Microstructure-based Fin...
Preprint
Full-text available
A new algorithm is proposed to impose a macroscopic stress or mixed stress/deformation gradient history in the context of non-linear Galerkin based FFT homogenization. The method proposed is based in the definition of a modified projection operator in which the null frequencies enforce the type of control (stress or strain) for each component of ei...