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Publication: Energy dissipative characteristic schemes for the diffusive...
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Publication: Energy-stable numerical schemes for multiscale simulations of...
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Molecular Structure and Dynamics in Wet Gecko β-Keratin
Coarse-grained molecular dynamics simulation of Gecko keratin interacting with a solid substrate under various wet and dry conditions, pull-off forces, dry adhesion. -
Water Uptake by Gecko β-Keratin
Grand-canonical atomistic simulation of the water uptake by gecko β-keratin at different relative humidities, influence of water content on its volume swelling and elasticity. -
Continuum–Particle Coupling for Polymer Simulations
Development of a new scheme for concurrent coupling of molecular dynamics and finite element simulations. Application to large-scale deformation of polymer glasses. -
Self-Assembly of Model Triblock Janus Colloidal Particles in Two Dimensions
Steered simulation of two-dimensional self-assembly of triblock Janus particles on a solid substrate into different ordered structures. Dependence of structure, pathway, and...