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Stability of binary precipitates in Cu-Ni-Si-Cr alloys investigated through active learning
Binary complexes that can be found in copper alloys are investigated in this work through a combination of computer simulations and …
Ángel Díaz Carral, Xiang Xu, Simon Gravelle, Azade YazdanYar, Siegfried Schmauder, Maria Fyta
Posted Jan 1, 2023
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Use of nanoporous carbon membranes for separating aqueous/organic mixtures
The invention relates to the extraction of organic compounds from mixtures of said compounds with water, using a nanoporous carbon …
Lyderic Bocquet, Alessandro Siria, Benoit Laborie, Hiroaki Yoshida, Simon Gravelle
Posted Jan 1, 2023
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Transport of thin water films: From thermally activated random walks to hydrodynamics
Under ambient atmospheric conditions, a thin film of water wets many solid surfaces, including insulators, ice, and salt. The film …
Simon Gravelle, Christian Holm, Alexander Schlaich
Posted Jan 1, 2022
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Viscous peeling of a nanosheet
Combining molecular dynamics (MD) and continuum simulations, we study the dynamics of propagation of a peeling front in a system …
Adyant Agrawal, Simon Gravelle, Catherine Kamal, Lorenzo Botto
Posted Jan 1, 2022
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Adsorption of single and multiple graphene-oxide nanoparticles at a water–vapor interface
The adsorption of graphene-oxide (GO) nanoparticles at the interface between water and vapor was analyzed using all-atom molecular …
Simon Gravelle, Lorenzo Botto
Posted Jan 1, 2021
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Alignment of a flexible platelike particle in shear flow: Effect of surface slip and edges
Rigid platelike particles displaying interfacial slip can attain a constant orientation in a shear flow when the slip length is …
Catherine Kamal, Simon Gravelle, Lorenzo Botto
Posted Jan 1, 2021
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Effect of hydrodynamic slip on the rotational dynamics of a thin Brownian platelet in shear flow
The classical theory by Jeffery predicts that, in the absence of Brownian fluctuations, a thin rigid platelet rotates continuously in a …
Catherine Kamal, Simon Gravelle, Lorenzo Botto
Posted Jan 1, 2021
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Violations of Jeffery's theory in the dynamics of nanographene in shear flow
Using molecular dynamics simulations we investigate the shear-induced rotational dynamics of a Brownian nanographene …
Simon Gravelle, Catherine Kamal, Lorenzo Botto
Posted Jan 1, 2021
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A multi-scale model for fluid transport through a bio-inspired passive valve
Tillandsia landbeckii is a rootless plant thriving in the hyper-arid Atacama Desert of Chile. These plants use unique cellulose-based …
Simon Gravelle, Jacques Dumais
Posted Jan 1, 2020
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Design of a unidirectional water valve in Tillandsia
The bromeliad Tillandsia landbeckii thrives in the Atacama desert of Chile using the fog captured by specialized leaf trichomes to …
Pascal S Raux, Simon Gravelle, Jacques Dumais
Posted Jan 1, 2020
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