| 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
Domain morphology and mechanics of the H/T ' transition metal dichalcogenide monolayers
Abstract
The properties of two-dimensional (2D) transition metal dichalcogenide (TMD) monolayers can be dynamically controlled via strain-induced displacive structural transformations between semiconducting (H) and metallic or semimetallic (T') crystal structures. The shapes, symmetries, and kinetics of crystalline domains generated during these transformations and the mechanical response of transforming monolayers are of fundamental and applied interest in, e.g., phase change memory devices and the study of topologically protected edge states in quantum spin Hall insulating T' crystals. We quantitatively characterize T' domain morphologies during H→T' transformations in both flat and bendable TMD monolayers using a combination of first principles and continuum calculations. Wulff constructions for MoTe<sub>2</sub> and MoS<sub>2</sub> show that T' domains within much larger T' domains are either rhombi of fixed proportions (if nonmisfitting) or rectangles whose aspect ratio A(R) increases with domain size<i> L</i><sub>0</sub> (if misfitting). Isolated T' domains within much larger H domains undergo a morphological crossover from compact to elongated shapes at<i> L</i><sub>0</sub> ≈100-200 nm if the sheet is constrained to be flat or <i>L</i><sub>0</sub> ≥ 2 <i>μ</i>m if the sheet is free to bend. This crossover is driven by a competition between anisotropic interfacial energy and elastic misfit energy, and its position can be tuned via the monolayer-substrate interaction strength. It is shown that the aspect ratio <i>A</i><sub><i>R</i></sub> obeys a scaling law <i>A<sub>R</sub></i> ∼ <i>L<sub>0 </sub></i><sup>2/3</sup>. Stress-strain response characterized as a function of strain orientation reveals extreme anisotropy in the effective elastic modulus through H/T' coexistence. Ferroelastic multidomain T'-WTe<sub>2</sub> monolayers are found to exhibit two to three regimes of reversible mechanical response, and localized buckling in freely suspended T' monolayers is shown to qualitatively alter T' domain symmetries.