A5054085558- Microstructure and mechanical properties
- Aluminum Alloy Microstructure Properties
- Aluminum Alloys Composites Properties
- Magnesium Alloys: Properties and Applications
- Metal and Thin Film Mechanics
- Advanced Materials Characterization Techniques
- Semiconductor materials and interfaces
- Metal Forming Simulation Techniques
- Metallurgy and Material Forming
- Silicon and Solar Cell Technologies
- Bauxite Residue and Utilization
- Metallurgical Processes and Thermodynamics
- Ion-surface interactions and analysis
- Copper Interconnects and Reliability
- Advanced Chemical Physics Studies
- Thermodynamic and Structural Properties of Metals and Alloys
- Electromagnetic Effects on Materials
- Hydrogen embrittlement and corrosion behaviors in metals
- Surface and Thin Film Phenomena
- Non-Destructive Testing Techniques
- High-pressure geophysics and materials
- Quasicrystal Structures and Properties
- nanoparticles nucleation surface interactions
- Rare-earth and actinide compounds
Nanjing Tech University
2022-2024
Laboratoire des Sciences des Procédés et des Matériaux
2017-2019
Interfaces Traitements Organisation et Dynamique des Systèmes
2016-2019
Université Paris Cité
2016-2019
Université Sorbonne Paris Nord
2017-2019
Délégation Paris 7
2016-2017
Sorbonne Paris Cité
2016-2017
Centre National de la Recherche Scientifique
2016-2017
Norwegian University of Science and Technology
2009-2015
University College London
2006
The present paper reports experimental and theoretical studies on the structure of metastable C precipitate forming during precipitation hardening in Al–Mg–Si–Cu (6xxx) alloys. We describe procedure deriving an initial unit cell model based data how this is further refined by quantitative use nanobeam electron diffraction patterns. A reliable 3D refinement was prevented small thickness its disorder/intergrowth with other phases, necessitating development a more theoretically methodology for...
Precipitates in Al-Mg-Si-(Cu) alloys all contain a similar hexagonal arrangement of Si-atoms. come and go but their inner Si ordering appears to vary little throughout the precipitation process. In order improve understanding related material properties, it is becoming increasingly clear that this includes good Si-network, its relation precipitates Al matrix. Previous studies have revealed adding Cu atoms ternary system, causes network twist slightly matrix about axis, favoring different...
Pressure-induced transformations in phosphorus are examined by means of ab initio density-functional calculations. Attempts made to identify the structure P-IV high-pressure phase, and transformation paths between a self-hosting incommensurate Ba-IV-type body-centered cubic discussed this context. Total energy calculations for series commensurate approximations used optimize with tetragonal ``guest.'' This suggests that an optimized $c$-axis host-guest ratio...
We have performed a uniaxial tensile test on the Σ5 [1 0 0] 36.87° twist grain boundary (GB) in face-centred cubic Al within framework of density functional theory order to derive an atomistic cohesive traction–separation law. Addressing importance kinetics GB breakage, we accompanied our energy-separation curve calculations by two additional studies. Firstly, using nudged elastic band method, determined for series separations heights zero temperature barriers separating intact and broken...
Solute atom nanoscale precipitates are responsible for the favourable mechanical properties of heat treatable aluminium alloys such as Al-Mg-Si (6xxx). The shape, structure and strengthening age-hardening depend on alloy composition thermo-mechanical history. We seek an improved understanding physics related to nucleation precipitation atomistic level in these alloys. Once mechanisms sufficiently well described understood, hope is that 'alloy design' simulations can assist tailoring...
We introduce a first principles based hierarchical multi-scale model scheme with application to system comprising fully coherent precipitate, immersed in host lattice environment. As test case, the needle-shaped main hardening phase β'' Al–Mg–Si alloy has been examined. Calculations were confined cross-section slab, where coherency of interfaces is well established experimentally. The couples density functional theory (DFT) description interface vicinity linear elasticity (LET) larger...
The behavior of the interstitial Cu atom in an otherwise clean Si crystal has been examined by means density functional calculations. It is found that basically stays at tetrahedral site with hardly any electrons promoted from $3d$ to $4sp$ shells. Our calculations confirm well-known fact donates its $4s$ electron surrounding lattice. state be very diffuse as resulting ${\mathrm{Cu}}^{+}$ ion effectively screened environment. When precision lowered, starts moving away site. results our...
Precipitate-host lattice interface studies have not traditionally been viewed as requiring hybrid model schemes for accurate determination of the interfacial and strain energies. On other hand, interfaces main hardening precipitates age hardenable alloys are often characterized by both high levels coherency considerable subsystem misfits. Near interface, linear elasticity theory evidently fails in such cases to fully correctly predict strains. Further, density functional based on isolated...