Publication

Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations

Publications associées (31)

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We present an efficient method to compute diffusion coefficients of multiparticle systems with strong interactions directly from the geometry and topology of the potential energy field of the migrating particles. The approach is tested on Li-ion diffusion ...

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Sinter-Resistant Nickel Catalyst for Lignin Hydrogenolysis Achieved by Liquid Phase Atomic Layer Deposition of Alumina

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Numerical simulation of immiscible incompressible viscous, viscoelastic and elastic multiphase flows

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A unified numerical framework is presented for the modelling of multiphasic viscoelastic and elastic flows. The rheologies considered range from incompressible Newtonian or Oldroyd-B viscoelastic fluids to Neo-Hookean elastic solids. The model is formulate ...

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We examine the influence of surface charge on the percolation, gel-point and phase behavior of cellulose nanocrystal (CNC) suspensions in relation to their nonlinear rheological material response. Desulfation decreases CNC surface charge density which lead ...

ELSEVIER SCI LTD2023

Atomic scale volume and grain boundary diffusion elucidated by in situ STEM

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Diffusion is one of the most important phenomena studied in science ranging from physics to biology and, in abstract form, even in social sciences. In the field of materials science, diffusion in crystalline solids is of particular interest as it plays a p ...

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