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The interaction between edge dislocations and Guinier-Preston zones in an Al-Cu alloy was analyzed by means of atomistic simulations. The different thermodynamic functions that determine the features of these obstacles for the dislocation…

Materials Science · Physics 2018-10-10 G. Esteban-Manzanares , E. Martínez , J. Segurado , L. Capolungo , J. LLorca

A scale bridging strategy based in molecular statics and molecular dynamics simulations in combination with transition state theory has been developed to determine the flow stress of Al-Cu alloy containing Guinier-Preston zones. The…

Materials Science · Physics 2019-09-04 G. Esteban-Manzanares , B. Bellón , E. Martínez , I. Papadimitriou , J. LLorca

The search for effective methods to fabricate bulk single-phase quasicrystalline Al-Cu-Fe alloys is currently an important task. Crucial to solving this problem is to understand mechanisms of phase formation in this system. Here we study…

Chemical Physics · Physics 2020-01-08 L. V. Kamaeva , I. V. Sterkhova , V. I. Ladyanov , R. E. Ryltsev , N. M. Chtchelkatchev

Differential thermal analysis has been conducted for the Al-Cu-Co alloys with the composition range of 15 at.% Co and 10 to 30 at.% Cu, and 25 at.% Co and 2.5 to 20 at.% Co. The features of the formation of solid phases have been studied…

Materials Science · Physics 2022-12-08 Larisa V. Kamaeva , Elena N. Tsiok , Nikolay M. Chtchelkatchev

Aluminum-Copper (Al-Cu) alloys are essential materials for weight reduction critical structures in the aerospace and automotive industries, yet achieving their maximum ultrahigh-strength potential remains limited by nanoscale defect control…

Materials Science · Physics 2026-01-05 Amirhossein Abedini , Behzad Mehrafrooz , Iyad Alabd Alhafez , Arash Kardani

The thermodynamic properties of {\alpha}-Al and other phases (GP zones, {\theta}'', {\theta}' and {\theta}) in the Al-rich part of the Al-Cu system have been obtained by means of the cluster expansion formalism in combination with…

Materials Science · Physics 2020-06-16 S. Liu , E. Martínez , J. LLorca

Understanding the composition evolution of grain boundaries and grain boundary precipitation at near-atomic scale in aluminum alloys is crucial to tailor mechanical properties and to increase resistance to corrosion and stress corrosion…

The atomic structure of Guinier-Preston (G.P.) zone in an Mg-Zn-Gd alloy has been determined by combining atomic resolution high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) and first-principles…

Materials Science · Physics 2018-03-01 Xin-Fu Gu , Tadashi Furuhara , Takanori Kiguchi , Toyohiko J. Konno , Leng Chen , Ping Yang

A multidisciplinary approach is presented to analyse the precipitation process in a model Al-Cu alloy. Although this topic has been extensively studied in the past, most of the investigations are focussed either on transmission electron…

Materials Science · Physics 2018-05-22 A. Rodríguez-Veiga , B. Bellón , I. Papadimitriou , G. Esteban-Manzanares , I. Sabirov , J. Llorca

The high strength of structural aluminium alloys depends strongly on the controlled precipitation of specific intermetallic phases, whose identity and crystal structure can be difficult to predict. Here, we investigate the Al-Pt system,…

Materials Science · Physics 2023-06-14 Shenghan Su , Laure Bourgeois , Nikhil V. Medhekar

Precipitation in Mg-Zn alloys was analyzed by means of first principles calculations. Formation energies of symmetrically distinct hcp Mg1-xZnx (0 < x < 1) configurations were determined and potential candidates for Guinier-Preston zones…

Materials Science · Physics 2020-10-07 S. Liu , G. Esteban-Manzanares , J. LLorca

The thermal decomposition behavior, the microstructural evolution and its influence on the mechanical properties of a supersaturated Cu Co solid solution with ~100 nm average grain size prepared by severe plastic deformation is investigated…

Materials Science · Physics 2016-11-07 Andrea Bachmaier , Marina Pfaff , Moritz Stolpe , Hisham Aboulfadl , Christian Motz

The earlier-developed ab initio model and the kinetic Monte Carlo method (KMCM) are used to simulate precipitation in a number of iron-copper alloys with different copper concentrations x and temperatures T. The same simulations are also…

Statistical Mechanics · Physics 2015-06-05 K. Yu. Khromov , V. G. Vaks , I. A. Zhuravlev

The decomposition kinetics of a solid-solution into separate phases are analyzed with an equation of motion initially developed to account for dissipative processes in quantum systems. This equation and the steepest-entropy-ascent quantum…

Statistical Mechanics · Physics 2019-05-22 Ryo Yamada , Michael R. von Spakovsky , William T. Reynolds,

Nanoscale inhomogeneities are typical for numerous metallic alloys and crucially important for their practical applications. At the same time, stabilization mechanisms of such a state are poorly understood. We present a general overview of…

Materials Science · Physics 2015-10-27 Yu. N. Gornostyrev , M. I. Katsnelson

The earlier-developed master equation approach and kinetic cluster methods are applied to study kinetics of L1_0 type orderings in alloys, including the formation of twinned structures characteristic of cubic-tetragonal-type phase…

Materials Science · Physics 2009-11-07 K. D. Belashchenko , I. R. Pankratov , G. D. Samolyuk , V. G. Vaks

We report the observation of a premelting transition at chemically sharp solid-liquid interfaces using molecular-dynamics simulations. The transition is observed in the solid-Al/liquid-Pb system and involves the formation of a liquid…

Materials Science · Physics 2015-06-12 Yang Yang , Mark Asta , Brian B. Laird

Precipitation during high temperature aging of Al-Cu alloys is analyzed by means of the integration of classical nucleation theory and phase-field simulations into a multiscale modelling approach based on well-established thermodynamics…

Materials Science · Physics 2019-02-08 H. Liu , I. Papadimitriou , F. X. Lin , J. LLorca

The consequences of hydrogen on the formation and growth of GP zones during natural ageing in an Al-5Cu alloy is investigated experimentally down to the atomic scale and numerically using ab initio calculations. As observed through…

Materials Science · Physics 2022-09-30 Guillaume Hachet , Xavier Sauvage

We study spacing selection in directional solidification of Al-Cu alloys under transient growth conditions. New experimental results are presented which reveal that dendritic spacing versus solidification rate evolves in an almost step-wise…

Materials Science · Physics 2010-02-09 Morteza Amoorezaei , Sebastian Gurevich , Nikolas Provatas
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