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Virtual Design, Virtual Processing and Virtual Testing of Metallic Materials

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Publications

Effect of layer thickness on the mechanical behaviour of oxidation-strengthened Zr/Nb nanoscale multilayers

Author(s): M. A. Monclús, M. Callisti, T. Polcar, L. W. Yang, J. M. Molina-Aldareguía, J. LLorca
Published in: Journal of Materials Science, Issue 53/8, 2018, Page(s) 5860-5878, ISSN 0022-2461
DOI: 10.1007/s10853-017-1665-6

Crystal plasticity simulation of the effect of grain size on the fatigue behavior of polycrystalline Inconel 718

Author(s): A. Cruzado, S. Lucarini, J. LLorca, J. Segurado
Published in: International Journal of Fatigue, Issue 113, 2018, Page(s) 236-245, ISSN 0142-1123
DOI: 10.1016/j.ijfatigue.2018.04.018

Deformation Mechanism Map of Cu/Nb Nanoscale Metallic Multilayers as a Function of Temperature and Layer Thickness

Author(s): J. Snel, M. A. Monclús, M. Castillo-Rodríguez, N. Mara, I. J. Beyerlein, J. Llorca, J. M. Molina-Aldareguía
Published in: JOM, Issue 69/11, 2017, Page(s) 2214-2226, ISSN 1047-4838
DOI: 10.1007/s11837-017-2533-1

An analysis of the influence of grain size on the strength of FCC polycrystals by means of computational homogenization

Author(s): Sarra Haouala, Javier Segurado, Javier LLorca
Published in: Acta Materialia, Issue 148, 2018, Page(s) 72-85, ISSN 1359-6454
DOI: 10.1016/j.actamat.2018.01.024

Microstructure-based fatigue life model of metallic alloys with bilinear Coffin-Manson behavior

Author(s): A. Cruzado, S. Lucarini, J. LLorca, J. Segurado
Published in: International Journal of Fatigue, Issue 107, 2018, Page(s) 40-48, ISSN 0142-1123
DOI: 10.1016/j.ijfatigue.2017.10.014

On the quest for the strongest materials

Author(s): Javier LLorca
Published in: Science, Issue 360/6386, 2018, Page(s) 264-265, ISSN 0036-8075
DOI: 10.1126/science.aat5211

Influence of temperature on the strain rate sensitivity and deformation mechanisms of nanotwinned Cu

Author(s): L.W. Yang, C.Y. Wang, M.A. Monclús, L. Lu, J.M. Molina-Aldareguía, J. Llorca
Published in: Scripta Materialia, Issue 154, 2018, Page(s) 54-59, ISSN 1359-6462
DOI: 10.1016/j.scriptamat.2018.05.018

A multidisciplinary approach to study precipitation kinetics and hardening in an Al-4Cu (wt. %) alloy

Author(s): A. Rodríguez-Veiga, B. Bellón, I. Papadimitriou, G. Esteban-Manzanares, I. Sabirov, J. LLorca
Published in: Journal of Alloys and Compounds, Issue 757, 2018, Page(s) 504-519, ISSN 0925-8388
DOI: 10.1016/j.jallcom.2018.04.284

Discrete dislocation dynamics simulations of dislocation- θ ′ precipitate interaction in Al-Cu alloys

Author(s): R. Santos-Güemes, G. Esteban-Manzanares, I. Papadimitriou, J. Segurado, L. Capolungo, J. LLorca
Published in: Journal of the Mechanics and Physics of Solids, Issue 118, 2018, Page(s) 228-244, ISSN 0022-5096
DOI: 10.1016/j.jmps.2018.05.015

An atomistic investigation of the interaction of dislocations with Guinier-Preston zones in Al-Cu alloys

Author(s): G. Esteban-Manzanares, E. Martínez, J. Segurado, L. Capolungo, J. LLorca
Published in: Acta Materialia, Issue 162, 2019, Page(s) 189-201, ISSN 1359-6454
DOI: 10.1016/j.actamat.2018.09.052

Tensile deformation and fracture mechanisms of Cu/Nb nanolaminates studied by in situ TEM mechanical tests

Author(s): Z. Liu, M.A. Monclús, L.W. Yang, M. Castillo-Rodríguez, J.M. Molina-Aldareguía, J. LLorca
Published in: Extreme Mechanics Letters, Issue 25, 2018, Page(s) 60-65, ISSN 2352-4316
DOI: 10.1016/j.eml.2018.10.007

Grain boundary strengthening of FCC polycrystals

Author(s): R. Arturo Rubio, Sarra Haouala, Javier LLorca
Published in: Journal of Materials Research, Issue 34/13, 2019, Page(s) 2263-2274, ISSN 0884-2914
DOI: 10.1557/jmr.2019.58

Multiscale dendritic needle network model of alloy solidification with fluid flow

Author(s): D. Tourret, M.M. Francois, A.J. Clarke
Published in: Computational Materials Science, Issue 162, 2019, Page(s) 206-227, ISSN 0927-0256
DOI: 10.1016/j.commatsci.2019.02.031

Precipitation during high temperature aging of Al−Cu alloys: A multiscale analysis based on first principles calculations

Author(s): H. Liu, I. Papadimitriou, F.X. Lin, J. LLorca
Published in: Acta Materialia, Issue 167, 2019, Page(s) 121-135, ISSN 1359-6454
DOI: 10.1016/j.actamat.2019.01.024

High-throughput extraction of the anisotropic interdiffusion coefficients in hcp Mg–Al alloys

Author(s): Jingya Wang, Weisen Zheng, Guanglong Xu, Javier Llorca, Yuwen Cui
Published in: Journal of Alloys and Compounds, Issue 805, 2019, Page(s) 237-246, ISSN 0925-8388
DOI: 10.1016/j.jallcom.2019.07.084

An analysis of (the lack of) slip transfer between near-cube oriented grains in pure Al

Author(s): T.R. Bieler, R. Alizadeh, M. Peña-Ortega, J. Llorca
Published in: International Journal of Plasticity, Issue 118, 2019, Page(s) 269-290, ISSN 0749-6419
DOI: 10.1016/j.ijplas.2019.02.014

Effect of solute content and temperature on the deformation mechanisms and critical resolved shear stress in Mg-Al and Mg-Zn alloys

Author(s): J.-Y. Wang, N. Li, R. Alizadeh, M.A. Monclús, Y.W. Cui, J.M. Molina-Aldareguía, J. LLorca
Published in: Acta Materialia, Issue 170, 2019, Page(s) 155-165, ISSN 1359-6454
DOI: 10.1016/j.actamat.2019.03.027

Alloy design for mechanical properties: Conquering the length scales

Author(s): Irene J. Beyerlein, Shuozhi Xu, Javier Llorca, Jaafar A. El-Awady, Jaber R. Mianroodi, Bob Svendsen
Published in: MRS Bulletin, Issue 44/4, 2019, Page(s) 257-265, ISSN 0883-7694
DOI: 10.1557/mrs.2019.67

Effect of grain orientation and local strains on void growth and coalescence in titanium

Author(s): Marina Pushkareva, Federico Sket, Javier Segurado, Javier Llorca, Mohammed Yandouzi, Arnaud Weck
Published in: Materials Science and Engineering: A, Issue 760, 2019, Page(s) 258-266, ISSN 0921-5093
DOI: 10.1016/j.msea.2019.06.004

Strengthening of Al–Cu alloys by Guinier–Preston zones: Predictions from atomistic simulations

Author(s): G. Esteban-Manzanares, B. Bellón, E. Martínez, I. Papadimitriou, J. LLorca
Published in: Journal of the Mechanics and Physics of Solids, Issue 132, 2019, Page(s) 103675, ISSN 0022-5096
DOI: 10.1016/j.jmps.2019.07.018

Three-dimensional investigation of grain orientation effects on void growth in commercially pure titanium

Author(s): Marina Pushkareva, Jérôme Adrien, Eric Maire, Javier Segurado, Javier Llorca, Arnaud Weck
Published in: Materials Science and Engineering: A, Issue 671, 2016, Page(s) 221-232, ISSN 0921-5093
DOI: 10.1016/j.msea.2016.06.053

Landau modeling of dynamical nucleation of martensite at grain boundaries under local stress

Author(s): Guanglong Xu, Chuanyun Wang, Juan Ignacio Beltrán, Javier LLorca, Yuwen Cui
Published in: Computational Materials Science, Issue 118, 2016, Page(s) 103-111, ISSN 0927-0256
DOI: 10.1016/j.commatsci.2016.02.042

A 3D dislocation dynamics analysis of the size effect on the strength of [1 1 1] LiF micropillars at 300K and 600K

Author(s): Hyung-Jun Chang, Javier Segurado, Jon M Molina-Aldareguía, Rafael Soler
Published in: Modelling and Simulation in Materials Science and Engineering, Issue 24/3, 2016, Page(s) 035009, ISSN 0965-0393
DOI: 10.1088/0965-0393/24/3/035009

Computational study of atomic mobility in hcp Mg–Al–Zn ternary alloys

Author(s): Jingya Wang, Na Li, Chuanyun Wang, Juan Ignacio Beltran, Javier LLorca, Yuwen Cui
Published in: Calphad, Issue 54, 2016, Page(s) 134-143, ISSN 0364-5916
DOI: 10.1016/j.calphad.2016.07.003

Multiscale modelling of the morphology and spatial distribution of θ′ precipitates in Al-Cu alloys

Author(s): H. Liu, B. Bellón, J. LLorca
Published in: Acta Materialia, Issue 132, 2017, Page(s) 611-626, ISSN 1359-6454
DOI: 10.1016/j.actamat.2017.04.042

Selective oxidation-induced strengthening of Zr/Nb nanoscale multilayers

Author(s): M.A. Monclús, M. Callisti, T. Polcar, L.W. Yang, J. Llorca, J.M. Molina-Aldareguía
Published in: Acta Materialia, Issue 122, 2017, Page(s) 1-10, ISSN 1359-6454
DOI: 10.1016/j.actamat.2016.09.021

Mechanical Behavior of InP Twinning Superlattice Nanowires

Author(s): Zhilin Liu, Ioannis Papadimitriou, Miguel Castillo-Rodríguez, Chuanyun Wang, Gustavo Esteban-Manzanares, Xiaoming Yuan, Hark H. Tan, Jon M. Molina-Aldareguía, Javier Llorca
Published in: Nano Letters, Issue 19/7, 2019, Page(s) 4490-4497, ISSN 1530-6984
DOI: 10.1021/acs.nanolett.9b01300

Influence of the stress state on the cross-slip free energy barrier in Al: An atomistic investigation

Author(s): G. Esteban-Manzanares, R. Santos-Güemes, I. Papadimitriou, E. Martínez, J. LLorca
Published in: Acta Materialia, Issue 184, 2020, Page(s) 109-119, ISSN 1359-6454
DOI: 10.1016/j.actamat.2019.10.055

Multiscale modelling of precipitation hardening in Al–Cu alloys: Dislocation dynamics simulations and experimental validation

Author(s): R. Santos-Güemes, B. Bellón, G. Esteban-Manzanares, J. Segurado, L. Capolungo, J. LLorca
Published in: Acta Materialia, Issue 188, 2020, Page(s) 475-485, ISSN 1359-6454
DOI: 10.1016/j.actamat.2020.02.019

Basal dislocation/precipitate interactions in Mg–Al alloys: an atomistic investigation

Author(s): Gustavo Esteban-Manzanares, Anxin Ma, Ioannis Papadimitriou, Enrique Martínez, Javier LLorca
Published in: Modelling and Simulation in Materials Science and Engineering, Issue 27/7, 2019, Page(s) 075003, ISSN 0965-0393
DOI: 10.1088/1361-651x/ab2de0

Effect of slip transmission at grain boundaries in Al bicrystals

Author(s): S. Haouala, R. Alizadeh, T.R. Bieler, J. Segurado, J. LLorca
Published in: International Journal of Plasticity, Issue 126, 2020, Page(s) 102600, ISSN 0749-6419
DOI: 10.1016/j.ijplas.2019.09.006

Simulation of the Hall-Petch effect in FCC polycrystals by means of strain gradient crystal plasticity and FFT homogenization

Author(s): S. Haouala, S. Lucarini, J. LLorca, J. Segurado
Published in: Journal of the Mechanics and Physics of Solids, Issue 134, 2020, Page(s) 103755, ISSN 0022-5096
DOI: 10.1016/j.jmps.2019.103755

Interactions between basal dislocations and β 1 ′ precipitates in Mg–4Zn alloy: Mechanisms and strengthening

Author(s): R. Alizadeh, J. LLorca
Published in: Acta Materialia, Issue 186, 2020, Page(s) 475-486, ISSN 1359-6454
DOI: 10.1016/j.actamat.2020.01.028

Effect of Al content on the critical resolved shear stress for twin nucleation and growth in Mg alloys

Author(s): Jingya Wang, Jon M. Molina-Aldareguía, Javier LLorca
Published in: Acta Materialia, Issue 188, 2020, Page(s) 215-227, ISSN 1359-6454
DOI: 10.1016/j.actamat.2020.02.006

A criterion for slip transfer at grain boundaries in Al

Author(s): R. Alizadeh, M. Peña-Ortega, T.R. Bieler, J. LLorca
Published in: Scripta Materialia, Issue 178, 2020, Page(s) 408-412, ISSN 1359-6462
DOI: 10.1016/j.scriptamat.2019.12.010

Atomistic simulations of the interaction of basal dislocations with MgZn 2 precipitates in Mg alloys

Author(s): G. Esteban-Manzanares, R. Alizadeh, I. Papadimitriou, D. Dickel, C.D. Barrett, J. LLorca
Published in: Materials Science and Engineering: A, 2020, Page(s) 139555, ISSN 0921-5093
DOI: 10.1016/j.msea.2020.139555

Grain boundary slip transfer classification and metric selection with artificial neural networks

Author(s): Zhuowen Zhao, Thomas R. Bieler, Javier LLorca, Philip Eisenlohr
Published in: Scripta Materialia, Issue 185, 2020, Page(s) 71-75, ISSN 1359-6462
DOI: 10.1016/j.scriptamat.2020.04.029

Computational Homogenization of Polycrystals

Author(s): Javier Segurado, Ricardo A. Lebensohn, Javier LLorca
Published in: Advances in Crystals and Elastic Metamaterials, Part 1, Issue 51, 2018, Page(s) 1-114
DOI: 10.1016/bs.aams.2018.07.001

High throughput investigation of diffusion and solid solution hardening of HCP Mg alloys

Author(s): Jingya Wang
Published in: 2019
DOI: 10.20868/upm.thesis.56453

Atomistic modeling of the strengthening mechanisms in FCC and HCP metals

Author(s): Gustavo Esteban Manzanares
Published in: 2019
DOI: 10.20868/upm.thesis.57251