| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Srolovitz, David
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (65/65 displayed)
- 2022Geometrically necessary dislocation fingerprints of dislocation loop absorption at grain boundariescitations
- 2021Chemical-Affinity Disparity and Exclusivity Drive Atomic Segregation, Short-Range Ordering, and Cluster Formation in High-Entropy Alloyscitations
- 2020Grain growth stagnation in thin films due to shear-coupled grain boundary migrationcitations
- 2019Mechanochemical Effects of Adsorbates at Nanoelectromechanical Switch Contactscitations
- 2019The Coupling of Grain Growth and Twinning in FCC Metalscitations
- 2019The MoSeS dynamic omnigami paradigm for smart shape and composition programmable 2D materialscitations
- 2019Grain growth and solid-state dewetting of Bi-Crystal Ni-Fe thin films on sapphirecitations
- 2018Machine learning determination of atomic dynamics at grain boundariescitations
- 2018Domain morphology and mechanics of the H/T ' transition metal dichalcogenide monolayerscitations
- 2018Atomistic insights into the nanosecond long amorphization and crystallization cycle of nanoscale Ge2Sb2Te5citations
- 2018Grain-boundary kineticscitations
- 2017Synthesis and Physical Properties of Phase-Engineered Transition Metal Dichalcogenide Monolayer Heterostructurescitations
- 2017Nanocrystalline copper films are never flatcitations
- 2016Grain-boundary metastability and its statistical propertiescitations
- 2016When twins collidecitations
- 2016Static and dynamic elastic properties of fractal-cut materialscitations
- 2016Thermally induced failure mechanism transition and its correlation with short-range order evolution in metallic glassescitations
- 2016The inverse hall-petch relation in nanocrystalline metalscitations
- 2015Surface roughness imparts tensile ductility to nanoscale metallic glassescitations
- 2015The interplay between grain boundary structure and defect sink/annealing behaviorcitations
- 2014Planar fault energies of copper at large straincitations
- 2014Atomic-scale analysis of liquid-gallium embrittlement of aluminum grain boundariescitations
- 2013Comparison of molecular dynamics simulation methods for the study of grain boundary migrationcitations
- 2013Effect of strain on the stacking fault energy of coppercitations
- 2013Deconstructing the high-temperature deformation of phase-separating alloyscitations
- 2013Nanocrystallization in driven amorphous materialscitations
- 2011Nanoindentation size effect in single-crystal nanoparticles and thin filmscitations
- 2010ATOMISTIC MODELLING OF SHOCK LOAD IN NANOPHASE ALUMINUM NITRIDE CERAMICS
- 2010Material Properties in Codimension > 0
- 2009Effect of material properties on liquid metal embrittlement in the Al-Ga systemcitations
- 2008Multiscale kinetic model for polarization switching in ferroelectric polymer thin filmscitations
- 2008Asperity contacts at the nanoscalecitations
- 2007Atomistic simulation of the deformation of gold nanopillarscitations
- 2007The von Neumann relation generalized to coarsening of three-dimensional microstructurescitations
- 2007Molecular Dynamics Simulation of Ga Penetration along Grain Boundaries in Alcitations
- 2007Onset of Plasticity in Gold Nanopillar Compressioncitations
- 2007Molecular dynamics simulation of Ga penetration along Σ5 symmetric tilt grain boundaries in an Al bicrystalcitations
- 2007Solid-liquid phase diagrams for binary metallic alloyscitations
- 2007Simulation of the interaction between Fe impurities and point defects in Vcitations
- 2007In Situ Investigation of the Silver-CTAB System
- 2006Grain boundary energy and grain growth in Al filmscitations
- 2006Simultaneous grain boundary migration and grain rotationcitations
- 2005Point defect dynamics in bcc metalscitations
- 2005Reaction layer growth in a substrate/polycrystalline film systemcitations
- 2005Effects of lanthanide dopants on oxygen diffusion in yttria-stabilized zirconiacitations
- 2005Stochastic simulation of dislocation glide in tantalum and Ta-based alloyscitations
- 2005Systematic prediction of kinetically limited crystal growth morphologiescitations
- 2004Stress development during growth of oxide films
- 2004Molecular dynamics simulation of single asperity contactcitations
- 2004Development of an interatomic potential for phosphorus impurities in α-ironcitations
- 2004Oxygen diffusion in yttria-stabilized zirconiacitations
- 2004Computer simulation of the elastically driven migration of a flat grain boundarycitations
- 2004Finite element-based model for crack propagation in polycrystalline materialscitations
- 2003Brittle fracture in polycrystalline microstructures with the extended finite element methodcitations
- 2003Origins of Growth Stresses in Amorphous Semiconductor Thin Filmscitations
- 2003Morphological Stability during Electrodepositioncitations
- 2003Discrete dislocation simulations of the development of a continuum plastic zone ahead of a stationary Mode III crackcitations
- 2003Development of new interatomic potentials appropriate for crystalline and liquid ironcitations
- 2003Interatomic potential for vanadium suitable for radiation damage simulationscitations
- 2002Buckling and post-buckling kinetics of compressed thin films on viscous substratescitations
- 2002Impurity effects on grain boundary migrationcitations
- 2002Boundary mobility and energy anisotropy effects on microstructural evolution during grain growthcitations
- 2002Microstructure and mechanical properties of a β Nb-Ti based alloycitations
- 2001Modifying the microstructure and morphology of film surface layers by manipulating chemical vapor deposition reactor conditionscitations
- 2001KINK MODEL FOR EXTENDED DEFECT MIGRATION IN THE PRESENCE OF DIFFUSING IMPURITIEScitations
Places of action
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article
Effect of strain on the stacking fault energy of copper
Abstract
The intrinsic stacking fault energy (SFE) of copper under volumetric, longitudinal, and shear strains is investigated using density functional theory (GGA-PBE). Calculations are performed using a copper slab model aligned perpendicular to the (111) intrinsic stacking fault plane. The calculated SFE for unstrained copper is <i>γ </i>= 41 mJ/m<sup>2</sup>. Results show a strong dependence of <i>γ</i> on strain and distinct behavior for different types of strain: (a) volumetric and longitudinal in the direction perpendicular to the stacking fault, (b) longitudinal parallel to the stacking fault, and (c) shear parallel to the stacking fault. In the first case (a), the SFE decreases monotonically with strain with a slope <i>dγ/dε</i>|<i><sub>ε</sub></i><sub>=0</sub> = -0.44 J/m<sup>2</sup> and -0.87 J/m<sup>2</sup> for volumetric and longitudinal, respectively, and with <i>d<sup>2</sup>γ/dε<sup>2</sup> </i>> 0. In contrast, for longitudinal strain parallel to the stacking fault (b), the SFE dependence exhibits <i>d</i><sup>2</sup><i>γ/dε</i><sup>2</sup> < 0 with a maximum at <i>ε</i> ≈ -0.015. For the case of shear parallel to the stacking fault (c), the SFE is nearly constant at small and moderately large strain, but drops rapidly at very large strain (by a factor of 1/3 for <Ī10> {111} shear at <i>ε</i> = ±0.1). For large <112̄> {111} shear strains, the SFE can either increase or decrease at large strain depending on the sign of the strain. In volumetric or longitudinal (perpendicular to the stacking fault) tension and longitudinal strain in the boundary plane (and for some shear directions), the SFE can become negative, implying a limit on the stability of the fcc crystal structure. The strong dependence of the SFE on strain suggests deep implications for the mechanical properties, microstructural evolution, and dynamic plasticity of metals at high pressure, during severe plastic deformation, and in shock-loading conditions.