Publication

2024

A.D. Boccardo; M. Tong; S.B. Leen; D. Tourret; J. Segurado - Efficiency and accuracy of GPU-parallelized Fourier spectral methods for solving phase-field models. computational materials science 231, 2024. DOI: https://doi.org/10.1016/j.commatsci.2023.112618

2023

E. Roque; J. Segurado; F. Montero-Chacón - Modeling Diffusion-Induced Mechanical Degradation in Dual-Graphite Battery Cathodes: Application to PF6- Intercalation. journal of the electrochemical society 170, 2023. DOI: DOI10.1149/1945-7111/ad07ab
L. Wu; C. Anglade; L. Cobian; M. Monclus; J. Segurado; F. Karayagiz; U. Freitas; L. Noels - Bayesian inference of high-dimensional finite-strain visco-elastic-visco-plastic model parameters for additive manufactured polymers and neural network based material parameters generator. international journal of solids and structures 283, 2023. DOI: DOI10.1016/j.ijsolstr.2023.112470
Boccardo, AD, Tong, M, Leen, SB, Tourret, D, Segurado J - Efficiency and accuracy of GPU-parallelized Fourier spectral methods for solving phase-field models. computational materials science 228, 2023. DOI: DOI10.1016/j.commatsci.2023.112313
R. Sancho; V. Rey-de-Pedraza; P. Lafourcade; R. A. Lebensohn; J. Segurado - An implicit FFT-based method for wave propagation in elastic heterogeneous media. computer methods in applied mechanics and engineering 404, 115772-115772, 2023. DOI: 10.1016/j.cma.2022.115772
Chandrashekhar M. Pilgar; Ana M. Fernandez; Javier Segurado - Microstructure sensitive fatigue life prediction model for SLM fabricated Hastelloy-X. international journal of fatigue 168-107372, 2023. DOI: 10.1016/j.ijfatigue.2022.107372

2022

Xinyu Yang; Xianglong Wang; Mathieu Brochu; Xiaowei Wang; Noel M.Harrison; Seán B.Leen; Javier Segurado - Understanding orientation-dependent plasticity in laser beam powder bed fusion stainless steel through crystal plasticity modelling. materials science and engineering: a 852, 143682-143682, 2022. DOI: doi.org/10.1016/j.msea.2022.143682
M. Magri, L. Adam, J. Segurado - Particle size effects in ductile composites: An FFT homogenization study. journal of the mechanics and physics of solids 160, 104759-104759, 2022. DOI: 10.1016/j.jmps.2021.104759
L. Cobian, M. Rueda-Ruiz, J.P. Fernandez-Blazquez, V. Martinez, F. Galvez, F. Karayagiz, T. Lück, J. Segurado, M.A. Monclus - Micromechanical characterization of the material response in a PA12-SLS fabricated lattice structure and its correlation with bulk behavior. polymer testing 110, 107556-107556, 2022. DOI: 10.1016/j.polymertesting.2022.107556
Chandrashekhar M. Pilgar, Ana M. Fernandez, Sergio Lucarini. Javier Segurado - Effect of printing direction and thickness on the mechanical behavior of SLM fabricated Hastelloy-X. international journal of plasticity 153, 103250-103250, 2022. DOI: 10.1016/j.ijplas.2022.103250
Santos-Guemes, R.; Segurado, J.; LLorca, J. - A generalized line tension model for precipitate strengthening in metallic alloys. european journal of mechanics a-solids 93, 104540-104540, 2022. DOI: 10.1016/j.euromechsol.2022.104540
Lucarini, S.; Cobian, L.; Voitus, A.; Segurado, J. - Adaptation and validation of FFT methods for homogenization of lattice based materials. computer methods in applied mechanics and engineering 388, 114223-114223, 2022. DOI: 10.1016/j.cma.2021.114223

2021

Lucarini, S.; Upadhyay, M., V; Segurado, J. - FFT based approaches in micromechanics: fundamentals, methods and applications. modelling and simulation in materials science and engineering 30, 2, 023002, 2021. DOI: 10.1088/1361-651X/ac34e1
Magri, M.; Lucarini, S.; Lemoine, G.; Adam, L.; Segurado, J. - An FFT framework for simulating non-local ductile failure in heterogeneous materials. computer methods in applied mechanics and engineering 380, 113759-113759, 2021. DOI: 10.1016/j.cma.2021.113759
Segurado, J.; Lebensohn, R. A. - An FFT-based approach for Bloch wave analysis: application to polycrystals. computational mechanics July, 2021. DOI: 10.1007/s00466-021-02055-9
Santos-Güemes, R.; Capolungo, L.; Segurado, J.; Llorca, J. - Dislocation dynamics prediction of the strength of Al-Cu alloys containing shearable θ ′ ′ precipitates. 151, 104375, 2021. DOI: 10.1016/j.jmps.2021.104375
Zhang, M.; Nguyen, K.; Segurado, J.; Montáns, F.J. - A multiplicative finite strain crystal plasticity formulation based on additive elastic corrector rates: Theory and numerical implementation. international journal of plasticity 137, 102899, 2021. DOI: 10.1016/j.ijplas.2020.102899
Cruzado, A.; Segurado, J.; Hartl, D.J.; Benzerga, A.A. - A variational fast Fourier transform method for phase-transforming materials. modelling and simulation in materials science and engineering 29, 045001, 2021. DOI: 10.1088/1361-651X/abe4c7

2020

Herrera-Solaza, V.; Cepeda-Jiménez, C.M.; Pérez-Prado, M.T.; Segurado, J.; Niffeneggera, M. - The influence of underlying microstructure on surface stress and strain fields calculated by crystal plasticity finite element method. materials today communications 24, 101176-101176, 2020. DOI: 10.1016/j.mtcomm.2020.101176
Sancho, R.: Segurado, J.; Erice, B.; Pérez-Martín, M-J.; Gálvez, F - Crystal-Plasticity-Finite-Element Modeling of the Quasi-Static and Dynamic Response of a Directionally Solidified Nickel-Base Superalloy. computational materials modelling 13, 2020. DOI: 10.3390
Santos-Guemes, R.; Bellon, B.; Esteban-Manzanares, G.; Segurado, J.; Capolungo, L.; LLorca, J. - Multiscale modelling of precipitation hardening in Al-Cu alloys: Dislocation dynamics simulations and experimental validation. acta materialia 188, 475-485, 2020. DOI: 10.1016/j.actamat.2020.02.019
S. Lucarini; J. Segurado - An upscaling approach for micromechanics based fatigue: from RVEs to specimens and component life prediction. international journal of fracture 223, 93-108, 2020. DOI: 10.1007/s10704-019-00406-5
Haouala, S.; Alizadeh, R.; Bieler, T. R.; Segurado, J.; LLorca, J. - Effect of slip transmission at grain boundaries in Al bicrystals. international journal of plasticity 126, 102600-102600, 2020. DOI: 10.1016/j.ijplas.2019.09.006
M. Magri; G. Lemoine; L. Adam; J. Segurado - A coupled model of diffusional creep of polycrystalline solids based on climb of dislocations at grain boundaries. journal of the mechanics and physics of solids 135, 103786-103786, 2020. DOI: 10.1016/j.jmps.2019.103786
Haouala, S.; Lucarini, S.; LLorca, J.; Segurado, J. - Simulation of the Hall-Petch effect in FCC polycrystals by means of strain gradient crystal plasticity and FFT homogenization. journal of the mechanics and physics of solids 134, 103755-103755, 2020. DOI: 10.1016/j.jmps.2019.103755

2019

S. Lucarini, J. Segurado - An algorithm for stress and mixed control in Galerkin-based FFT homogenization. international journal for numerical methods in engineering 119-805, 2019. DOI: 10.1002/nme.6069
Pushkareva, M; Sket, F; Segurado, J; Llorca, J; Yandouzi, M; Weck, A - Effect of grain orientation and local strains on void growth and coalescence in titanium. materials science and engineering a-structural materials properties microstructure and processing 760, 258-266, 2019. DOI: 10.1016/j.msea.2019.06.004
Li, JF; Romero, I; Segurado, J - Development of a thermo-mechanically coupled crystal plasticity modeling framework: Application to polycrystalline homogenization. international journal of plasticity 119, 313-330, 2019. DOI: 10.1016/j.ijplas.2019.04.008
Admal, NC; Segurado, J; Marian, J - A three-dimensional misorientation axis- and inclination-dependent Kobayashi-Warren-Carter grain boundary model. journal of materials science & technology 128, 32-53, 2019. DOI: 10.1016/j.jmps.2019.03.020
G. Esteban-Manzanares, E. Martínez, J. Segurado, L. Capolungo, J. LLorca. - An atomistic investigation of the interaction of dislocations with Guinier-Preston zones in Al-Cu alloys. acta materialia 162, 189-201, 2019. DOI: 10.1016/j.actamat.2018.09.052
Lucarini, S; Segurado, J - On the accuracy of spectral solvers for micromechanics based fatigue modeling. computational mechanics 63, 365-382, 2019. DOI: 10.1007/s00466-018-1598-1

2018

Segurado, J; Lebensohn, RA; LLorca, J - Computational Homogenization of Polycrystals. advances in applied mechanics 51, 1-114, 2018. DOI: 10.1016/bs.aams.2018.07.001
Herrera-Solaz, V; Patriarca, L; Folettib, S; Segurado, J; Niffenegger, M. - Microstructure-based modelling and Digital Image Correlation measurement of strain fields in austenitic stainless steel 316L during tension loading. materials science and engineering a-structural materials properties microstructure and processing 751, 99-106, 2018. DOI: 10.1016/j.msea.2019.02.063
Cruzado, A.; Lucarini, S.; LLorca, J.; Segurado, J. - Crystal plasticity simulation of the effect of grain size on the fatigue behavior of polycrystalline Inconel 718. international journal of fatigue 113, 236-245, 2018. DOI: 10.1016/j.ijfatigue.2018.04.018
Ortiz-Roldan, Jose M.; Esteban-Manzanares, Gustavo; Lucarini, Sergio; Calero, Sofia; Segurado, Javier; Montero-Chacon, Francisco; Rabdel Ruiz-Salvador, A.; Hamad, Said - Fitting electron density as a physically sound basis for the development of interatomic potentials of complex alloys. physical chemistry chemical physics 20, 18647-18656, 2018. DOI: 10.1039/c8cp02591f
Montero-Chacon, Francisco; Chiumenti, Michele; Segurado, Javier; Doblare, Manuel - Integrated Computational Materials Engineering in Solar Plants: The Virtual Materials Design Project. jom 70, 1659-1669, 2018. DOI: 10.1007/s11837-018-2970-5
Santos-Guemes, R.; Esteban-Manzanares, G.; Papadimitriou, I.; Segurado, J.; Capolungo, L.; LLorca, J. - Discrete dislocation dynamics simulations of dislocation-theta ‘ precipitate interaction in Al-Cu alloys. journal of the mechanics and physics of solids 118, 228-244, 2018. DOI: 10.1016/j.jmps.2018.05.015
Haouala, Sarra; Segurado, Javier; LLorca, Javier - An analysis of the influence of grain size on the strength of FCC polycrystals by means of computational homogenization. acta materialia 148, 72-85, 2018. DOI: 10.1016/j.actamat.2018.01.024
Cruzado, A.; Lucarini, S.; LLorca, J.; Segurado, J. - Microstructure-based fatigue life model of metallic alloys with bilinear Coffin-Manson behavior. international journal of fatigue 107, 40-48, 2018. DOI: 10.1016/j.ijfatigue.2017.10.014

2017

Portillo, David; del Pozo, Daniel; Rodriguez-Galan, Daniel; Segurado, Javier; Romero, Ignacio - MUESLI – a Material UnivErSal LIbrary. advances in engineering software 105, 1-8, 2017. DOI: 10.1016/j.advengsoft.2017.01.007
Cruzado, A.; LLorca, J.; Segurado, J. - Modeling cyclic deformation of inconel 718 superalloy by means of crystal plasticity and computational homogenization. international journal of solids and structures 122, 148-161, 2017. DOI: 10.1016/j.ijsolstr.2017.06.014

2016

Segurado, Javier; Sadowski, Tomasz; LLorca, Javier; Schmauder, Siegfried - Preface: special issue on computational micromechanics of materials. meccanica 51, 269-270, 2016. DOI: 10.1007/s11012-015-0305-y
Ridruejo, Alvaro; Segurado, Javier; Cristina Moreno-Valle, Eva; Sabirov, Ilchat; LLorca, Javier - Multiscale modeling of the small punch test in nanostructured Ti. meccanica 51, 443-453, 2016. DOI: 10.1007/s11012-015-0315-9
Chang, Hyung-Jun; Segurado, Javier; Molina-Aldareguia, Jon M.; Soler, Rafael; LLorca, Javier - A 3D dislocation dynamics analysis of the size effect on the strength of [111] LiF micropillars at 300K and 600K. modelling and simulation in materials science and engineering 24, 2016. DOI: 10.1088/0965-0393/24/3/035009
Pushkareva, Marina; Adrien, Jerome; Maire, Eric; Segurado, Javier; Llorca, Javier; Weck, Arnaud - Three-dimensional investigation of grain orientation effects on void growth in commercially pure titanium. materials science and engineering a-structural materials properties microstructure and processing 671, 221-232, 2016. DOI: 10.1016/j.msea.2016.06.053

2015

Ortiz-Roldan, Jose M.; Rabdel Ruiz-Salvador, A.; Calero, Sofia; Montero-Chacon, Francisco; Garcia-Perez, Elena; Segurado, Javier; Martin-Bragado, Ignacio; Hamad, Said - Thermostructural behaviour of Ni-Cr materials: modelling of bulk and nanoparticle systems. physical chemistry chemical physics 17, 15912-15920, 2015. DOI: 10.1039/c5cp01785h
Herrera-Solaz, V.; Segurado, J.; LLorca, J. - On the robustness of an inverse optimization approach based on the Levenberg-Marquardt method for the mechanical behavior of polycrystals. european journal of mechanics a-solids 53, 220-228, 2015. DOI: 10.1016/j.euromechsol.2015.05.005
Prieto-Depedro, M.; Martin-Bragado, I.; Segurado, J. - An atomistically informed kinetic Monte Carlo model of grain boundary motion coupled to shear deformation. international journal of plasticity 68, 98-110, 2015. DOI: 10.1016/j.ijplas.2014.11.005
Hidalgo-Manrique, P.; Herrera-Solaz, V.; Segurado, J.; Llorca, J.; Galvez, F.; Ruano, O. A.; Yi, S. B.; Perez-Prado, M. T. - Origin of the reversed yield asymmetry in Mg-rare earth alloys at high temperature. acta materialia 92, 265-277, 2015. DOI: 10.1016/j.actamat.2015.03.053
Rodriguez-Galan, D.; Sabirov, I.; Segurado, J. - Temperature and stain rate effect on the deformation of nanostructured pure titanium. international journal of plasticity 70, 191-205, 2015. DOI: 10.1016/j.ijplas.2015.04.002
Sanchez-Martin, R.; Perez-Prado, M. T.; Segurado, J.; Molina-Aldareguia, J. M. - Effect of indentation size on the nucleation and propagation of tensile twinning in pure magnesium. acta materialia 93, 114-128, 2015. DOI: 10.1016/j.actamat.2015.04.005
Chang, Hyung-Jun; Segurado, Javier; LLorca, Javier - Three-dimensional dislocation dynamics analysis of size effects on void growth. scripta materialia 95, 11-14, 2015. DOI: 10.1016/j.scriptamat.2014.09.018

2014

Cruzado, A.; Gan, B.; Chang, H.; Ostolaza, K.; Linaza, A.; Milenkovic, S.; Molina-Aldareguia, J. M.; Llorca, J.; Segurado, J. - MICROTESTING AND CRYSTAL PLASTICITY MODELLING OF IN718 SUPERALLOY GRAINS. 8th international symposium on superalloy 718 and derivatives , 897-907, 2014. DOI: 10.1002/9781119016854.ch71
Salazar, A.; Rico, A.; Rodriguez, J.; Segurado Escudero, J.; Seltzer, R.; de la Escalera Cutillas, F. Martin - Fatigue crack growth of SLS polyamide 12: Effect of reinforcement and temperature. composites part b-engineering 59, 285-292, 2014. DOI: 10.1016/j.compositesb.2013.12.017
Salazar, A.; Rico, A.; Rodriguez, J.; Segurado Escudero, J.; Seltzer, R.; Martin de la Escalera Cutillas, F. - Monotonic loading and fatigue response of a bio-based polyamide PA11 and a petrol-based polyamide PA12 manufactured by selective laser sintering. european polymer journal 59, 36-45, 2014. DOI: 10.1016/j.eurpolymj.2014.07.016
Chen, Yi; Li, Jinshan; Tang, Bin; Kou, Hongchao; Segurado, J.; Cui, Yuwen - Computational study of atomic mobility for bcc phase in Ti-Al-Fe system. calphad-computer coupling of phase diagrams and thermochemistry 46, 205-212, 2014. DOI: 10.1016/j.calphad.2014.05.004
Soler, Rafael; Wheeler, Jeffrey M.; Chang, Hyung-Jun; Segurado, Javier; Michler, Johann; Llorca, Javier; Molina-Aldareguia, Jon M. - Understanding size effects on the strength of single crystals through high-temperature micropillar compression. acta materialia 81, 50-57, 2014. DOI: 10.1016/j.actamat.2014.08.007
Herrera-Solaz, V.; Hidalgo-Manrique, R.; Perez-Prado, M. T.; Letzig, D.; Llorca, J.; Segurado, J. - Effect of rare earth additions on the critical resolved shear stresses of magnesium alloys. materials letters 128, 199-203, 2014. DOI: 10.1016/j.matlet.2014.04.144
Herrera-Solaz, V.; LLorca, J.; Dogan, E.; Karaman, I.; Segurado, J. - An inverse optimization strategy to determine single crystal mechanical behavior from polycrystal tests: Application to AZ31 Mg alloy. international journal of plasticity 57, 1-15, 2014. DOI: 10.1016/j.ijplas.2014.02.001
Sanchez-Martin, R.; Perez-Prado, M. T.; Segurado, J.; Bohlen, J.; Gutierrez-Urrutia, I.; Llorca, J.; Molina-Aldareguia, J. M. - Measuring the critical resolved shear stresses in Mg alloys by instrumented nanoindentation. acta materialia 71, 283-292, 2014. DOI: 10.1016/j.actamat.2014.03.014
Mishnaevsky, Leon, Jr.; Levashov, Evgeny; Valiev, Ruslan Z.; Segurado, Javier; Sabirov, Ilchat; Enikeev, Nariman; Prokoshkin, Sergey; Solov'yov, Andrey V.; Korotitskiy, Andrey; Gutmanas, Elazar; Gotman, Irene; Rabkin, Eugen; Psakh'e, Sergey; Dluhos, Ludek; Seefeldt, Marc; Smolin, Alexey - Nanostructured titanium-based materials for medical implants: Modeling and development. materials science & engineering r-reports 81, 1-19, 2014. DOI: 10.1016/j.mser.2014.04.002

2013

Chang, H-J; Segurado, J.; Rodriguez de la Fuente, O.; Pabon, B. M.; Lorca, J. L. - Molecular dynamics modeling and simulation of void growth in two dimensions. modelling and simulation in materials science and engineering 21, 2013. DOI: 10.1088/0965-0393/21/7/075010
Bardella, Lorenzo; Segurado, Javier; Panteghini, Andrea; Llorca, Javier - Latent hardening size effect in small-scale plasticity. modelling and simulation in materials science and engineering 21, 2013. DOI: 10.1088/0965-0393/21/5/055009
Segurado, Javier; Llorca, Javier - Simulation of the deformation of polycrystalline nanostructured Ti by computational homogenization. computational materials science 76, 3-11, 2013. DOI: 10.1016/j.commatsci.2013.03.008

2012

Seltzer, R.; Segurado Escudero, J.; de la Escalera Cutillas, F. Martin - Influence of hygrothermal aging on the mechanical properties of Nylon 12 composites processed by selective laser sintering. innovative developments on virtual and physical prototyping , 287-289, 2012. DOI:
Soler, Rafael; Mikel Molina-Aldareguia, Jon; Segurado, Javier; LLorca, Javier - Effect of Misorientation on the Compression of Highly Anisotropic Single-Crystal Micropillars. advanced engineering materials 14, 1004-1008, 2012. DOI: 10.1002/adem.201200019
Williams, J. J.; Segurado, J.; LLorca, J.; Chawla, N. - Three dimensional (3D) microstructure-based modeling of interfacial decohesion in particle reinforced metal matrix composites. materials science and engineering a-structural materials properties microstructure and processing 557, 113-118, 2012. DOI: 10.1016/j.msea.2012.05.108
Canal, L. P.; Gonzalez, C.; Molina-Aldareguia, J. M.; Segurado, J.; LLorca, J. - Application of digital image correlation at the microscale in fiber-reinforced composites. composites part a-applied science and manufacturing 43, 1630-1638, 2012. DOI: 10.1016/j.compositesa.2011.07.014
Soler, R.; Molina-Aldareguia, J. M.; Segurado, J.; Llorca, J.; Merino, R. I.; Orera, V. M. - Micropillar compression of LiF [111] single crystals: Effect of size, ion irradiation and misorientation. international journal of plasticity 36, 50-63, 2012. DOI: 10.1016/j.ijplas.2012.03.005
Pablo Canal, Luis; Gonzalez, Carlos; Segurado, Javier; LLorca, Javier - Intraply fracture of fiber-reinforced composites: Microscopic mechanisms and modeling. composites science and technology 72, 1223-1232, 2012. DOI: 10.1016/j.compscitech.2012.04.008

2011

Seltzer, Rocio; Martin de la Escalera, Federico; Segurado, Javier - Effect of water conditioning on the fracture behavior of PA12 composites processed by selective laser sintering. materials science and engineering a-structural materials properties microstructure and processing 528, 6927-6933, 2011. DOI: 10.1016/j.msea.2011.05.045
LLorca, J.; Gonzalez, C.; Molina-Aldareguia, J. M.; Segurado, J.; Seltzer, R.; Sket, F.; Rodriguez, M.; Sadaba, S.; Munoz, R.; Canal, L. P. - Multiscale Modeling of Composite Materials: a Roadmap Towards Virtual Testing. advanced materials 23, 5130-5147, 2011. DOI: 10.1002/adma.201101683

2009

Presas, M.; Pastor, J. Y.; LLorca, J.; Martin, A.; Segurado, J.; Gonzalez, C. - Strength and toughness of cellular SiC at elevated temperature. engineering failure analysis 16, 2598-2603, 2009. DOI: 10.1016/j.engfailanal.2009.04.029
Moraleda, Joaquin; Segurado, Javier; Llorca, Javier - Effect of interface fracture on the tensile deformation of fiber-reinforced elastomers. international journal of solids and structures 46, 4287-4297, 2009. DOI: 10.1016/j.ijsolstr.2009.08.020

2008

Romero, Ignacio; Segurado, Javier; LLorca, Javier - Dislocation dynamics in non-convex domains using finite elements with embedded discontinuities. modelling and simulation in materials science and engineering 16, 2008. DOI: 10.1088/0965-0393/16/3/035008

2007

Weck, Arnaud; Segurado, Javier; LLorca, Javier; Wilkinson, David; Boehm, Helmut - Numerical simulations of void linkage in model materials using a nonlocal ductile damage approximation. international journal of fracture 148, 205-219, 2007. DOI: 10.1007/s10704-008-9195-5

Yu, Qianran; Martinez, Enrique; Segurado, Javier; Marian, Jaime - A stochastic solver based on the residence time algorithm for crystal plasticity models. computational mechanics , . DOI: 10.1007/s00466-021-02073-7
Lucarini, S; Segurado, J - DBFFT: A displacement based FFT approach for non-linear homogenization of the mechanical behavior. international journal of engineering science 144, . DOI: 10.1016/j.ijengsci.2019.103131