activity
20162023
most citedPrecipitation during high temperature aging of Al-Cu alloys: a multiscale analysis based on first principles calculations

129 citations · 1.1k across the 61 of their papers we have counts for

collaborators

62 papers

physics.med-ph2023★ 1 cited

A strategy to tailor the mechanical and degradation properties of PCL-PEG-PCL based copolymers for biomedical application

Yu-Yao Liu, Juan Pedro Fernández Blázquez, Guang-Zhong Yin +3

Biodegradable and biocompatible 3D printable biomaterials with tunable mechanical properties and degradation rate adapted to target tissues were urgently required to manufacture sc…

physics.med-ph2023

Phase-field modeling of pitting and mechanically-assisted corrosion of Mg alloys for biomedical applications

S. Kovacevic, W. Ali, E. Martínez-Pañeda +1

A phase-field model is developed to simulate the corrosion of Mg alloys in body fluids. The model incorporates both Mg dissolution and the transport of Mg ions in solution, natural…

cond-mat.mtrl-sci2023★ 1 cited

Simulation of dislocation slip and twin propagation in Mg through coupling crystal plasticity and phase field models

Meijuan Zhang, Auxin Ma, Javier LLorca

A numerical strategy to simulate plastic deformation in Mg alloys including dislocation slip and twin propagation is presented. Dislocation slip is included through a crystal plast…

cond-mat.mtrl-sci2023

Bioabsorbable WE43 Mg alloy wires modified by continuous plasma electrolytic oxidation for implant applications. Part II: degradation and biological performance

Wahaaj Ali, Mónica Echeverry-Rendón, Guillermo Dominguez +4

The corrosion, mechanical degradation and biological performance of cold-drawn WE43 Mg wires were analyzed as a function of thermo-mechanical processing and the presence of a prote…

cond-mat.mtrl-sci2023

Critical resolved shear stresses for slip and twinning in Mg-Y-Ca alloys and their effect on the ductility

Mingdi Yu, Yuchi Cui, Jingya Wang +5

The deformation mechanisms of an extruded Mg-5Y-0.08Ca (wt. %) alloy were analyzed by means of micropillar compression tests on single crystals along different orientations -- sele…

physics.med-ph2023

Bioabsorbable WE43 Mg alloy wires modified by continuous plasma-electrolytic oxidation for implant applications. Part I: processing, microstructure and mechanical properties

Wahaaj Ali, Muzi Li, Leon Tillmann +4

In our work, a novel processing strategy for the continuous fabrication and surface modification of wires from Magnesium alloy WE43 by means of plasma-electrolytic oxidation (PEO)…

cond-mat.mtrl-sci2022★ 1 cited

First principles prediction of the Al-Li phase diagram including configurational and vibrational entropic contributions

Wei Shao, Sha Liu, Javier LLorca

The whole Al-Li phase diagram is predicted from first principles calculations and statistical mechanics including the effect of configurational and vibrational entropy. The formati…

cond-mat.mtrl-sci2022

Effect of twin boundaries on the strength of body-centered cubic tungsten nanowires

Junfeng Cui, Liang Ma, Guoxin Chen +6

Twin boundaries (TBs) are assumed to be obstacles to dislocation motion and increase the strength of metals. Here, we report the abnormal phenomenon that TBs reduce the strength of…

cond-mat.mtrl-sci2022

Quantitative assessment of the microstructural factors controlling the fatigue crack initiation mechanisms in AZ31 Mg alloy

Abbas Jamali, Anxin Ma, Javier LLorca

The deformation and fatigue crack nucleation mechanisms were studied by means of slip trace analysis and secondary electron microscopy in a textured AZ31B-O Mg alloy subjected to f…

cond-mat.mtrl-sci2022

First-principles analysis of the Al-rich corner of Al-Li-Cu phase diagram

S. Liu, J. S. Wróbel, J. LLorca

The phase diagram of Al-Li-Cu system in the Al-rich region was determined by means of first-principles calculations and statistical mechanics. The mixing enthalpies of many configu…

cond-mat.mtrl-sci2022

Identification of active slip systems in polycrystals by Slip Trace -- Modified Lattice Rotation Analysis (ST-MLRA)

Biaobiao Yang, Chenying Shi, Ruilin Lai +8

A simple and versatile strategy, denominated Slip Trace - Modified Lattice Rotation Analysis (ST-MLRA), is presented to enable the identification of the active slip systems in poly…

cond-mat.mtrl-sci2022★ 21 cited

Understanding the effect of mechanical strains on the catalytic activity of transition metals

Carmen Martínez-Alonso, José Manuel Guevara-Vela, Javier LLorca

The effect of elastic strains on the catalytic activity for the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR) was analyzed on thirteen late transition m…

cond-mat.mtrl-sci2022★ 21 cited

A generalized line tension model for precipitate strengthening in metallic alloys

R. Santos-Güemes, J. Segurado, J. LLorca

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 mod…

physics.app-ph2021★ 1 cited

Simulation of corrosion and mechanical degradation of additively manufactured Mg scaffolds in simulated body fluid

Mohammad Marvi-Mashhadi, Wahaaj Ali, Muzi Li +2

A simulation strategy based in the finite element model was developed to model the corrosion and mechanical properties of biodegradable Mg scaffolds manufactured by laser power bed…

cond-mat.mtrl-sci2021★ 1 cited

On the effect of slip transfer at grain boundaries on the strength of FCC polycrystals

E. Nieto-Valeiras, S. Haouala, J. LLorca

The effect of slip transfer on the flow strength of various FCC polycrystals was analyzed by means of computational homogenization of a representative volume element of the microst…

cond-mat.mtrl-sci2021

Influence of grain size and grain boundary misorientation on the fatigue crack initiation mechanisms of textured AZ31 Mg alloy

Abbas Jamali, Anxin Ma, Javier LLorca

The deformation and crack initiation mechanisms were analyzed in a textured AZ31B-O Mg alloy subjected to fully-reversed, strain-controlled cyclic deformation along the rolling dir…

cond-mat.mtrl-sci2021★ 24 cited

The effect of elastic strains on the adsorption energy of H, O, and OH in transition metals

Carmen Martínez-Alonso, José Manuel Guevara-Vela, Javier LLorca

The influence of elastic strains on the adsorption of H, O, and OH on the (111) surfaces of 8 fcc (Ni, Cu, Pd, Ag, Pt, Au, Rh, Ir) and on the (0001) surfaces of 3 hcp (Co, Zn, Cd)…

physics.med-ph2021

Strength, corrosion resistance and cellular response of interfaces in bioresorbable poly-lactic acid/Mg fiber composites for orthopedic applications

Wahaaj Ali, Mónica Echeverry-Rendón, Alexander Kopp +2

The shear strength and the corrosion resistance of the fiber/matrix interface after immersion in simulated body fluid was studied in poly-lactic acid/Mg fiber composites. The shear…

cond-mat.mtrl-sci2021

First principles prediction of the Al-Li phase diagram

S. Liu, G. Esteban-Manzanares, J. LLorca

The phase diagram of the Al-Li system was determined by means of first principles calculations in combination with the cluster expansion formalism and statistical mechanics. The gr…

cond-mat.mtrl-sci2021★ 4 cited

Deformation mechanisms of Mg-Ca-Zn alloys studied by means of micropillar compression tests

Jingya Wang, Yiwen Chen, Zhe Chen +2

The effect of Ca and Zn in solid solution on the critical resolved shear stress (CRSS) of <a> basal slip, tensile twinning and <c+a> pyramidal slip in Mg alloys has been measured t…

cond-mat.mtrl-sci2021

Exploring the Correlation between Solvent Diffusion and Creep Resistance of Mg-Ga HCP Alloys from High Throughput Liquid-Solid Diffusion Couple

Jingya Wang, Guanglong Xu, Xiaoqin Zeng +2

The liquid-solid diffusion couple technique, supported by phenomenological analysis and nano-indentation tests, is proposed on account of the relatively low melting points of Mg to…

cond-mat.mtrl-sci2021★ 7 cited

Phase-field modeling of microstructure evolution: Recent applications, perspectives and challenges

D. Tourret, H. Liu, J. LLorca

We briefly review the state-of-the-art in phase-field modeling of microstructure evolution. The focus is placed on recent applications of phase-field simulations of solid-state mic…

cond-mat.mtrl-sci2021

High throughput optimization of hard and tough TiN/Ni nanocomposite coatings by reactive magnetron sputter deposition

Ignacio Lopez-Cabanas, Javier LLorca, Raquel Gonzalez-Arrabal +2

A combinatorial thin-film synthesis approach combined with a high throughput analysis methodology was successfully applied to synthesize TiN/Ni coatings with optimum mechanical pro…

cond-mat.mtrl-sci2021

Effect of ZrH2 particles on the microstructure and mechanical properties of IN718 manufactured by selective laser melting

C. Galera-Rueda, E. Nieto-Valeiras, M. Gardon +2

The influence of Zr additions (in the form of ZrH2 particles) on the microstructure and mechanical properties of IN718 Ni-based superalloy manufactured by selective laser melting w…