Lithium metal solid-state batteries (LMSSBs) have demonstrated their high energy density and cycling performance at high current densities in an anode-free architecture, featuring a thin Ag/C composite buffer layer (BL) between the current collector (CC) and the solid electrolyte (SE). This study explains the microscopic mechanism of the Ag/C BL by...
Published in Proceedings of the National Academy of Sciences of the United States of America
Grain rotation is commonly observed during the evolution of microstructures in polycrystalline materials of different kinds, including metals, ceramics, and colloidal crystals. It is widely accepted that interface migration in these systems is mediated by the motion of line defects with step and dislocation character, i.e., disconnections. We propo...
The present paper is devoted to the development of a software equipment that allows to model composite materials by both discrete and continuous modelling approaches. The aim is to create a geometrical and topological representation of a discrete lattice particle model as well as its 1:1 twin counterpart as modelled by a continuum FEM model. Both r...
Published in Nanomaterials
The production of single dimensional carbon structures has recently been made easier using carbon nanotubes. We consider here encapsulated coronene molecules, which are flat and circular-shaped polycyclic aromatic hydrocarbons, inside carbon nanotubes. Depending on the radius of the nanotube, certain specific configurations of the coronene molecule...
One of the challenging tasks related to lithium-ion batteries (LIBs) remains a comprehensive approach for battery behaviour modelling. An approach is presented that enables modelling the voltage-capacity response of LIBs that are subjected to variable temperature and current load histories. A detailed presentation of the developed macro-scale pheno...
This thesis deals with the topic of size segregation in granular materials. Mathematical models are developed, describing the granular flow and the segregation process. The granular flow equations consist of a set of Navier-Stokes-like equations as well as an equation for the granular temperature. With the help of the granular temperature equation,...
Published in Proceedings. Mathematical, physical, and engineering sciences
Continuum modelling of granular flow has been plagued with the issue of ill-posed dynamic equations for a long time. Equations for incompressible, two-dimensional flow based on the Coulomb friction law are ill-posed regardless of the deformation, whereas the rate-dependent μ(I)-rheology is ill-posed when the non-dimensional inertial number I is too...
The present contribution introduces a phenomenological model for self-healing polymers. Self-healing polymers are a promising class of materials which mimic nature by its capability to autonomously heal micro-cracks. Self-healing in the here considered system is accomplished by integrating microcapsules filled with a healing agent and a dispersed c...
Many industrial processes involve particulates with materials ranging from pharmaceuticals, ceramics, cosmetics and foods. Common to all these particulate processes is the discharge of granular material from bins/hoppers in either mass flow mode (i.e. all material regions in the domain are in motion) or core flow mode (i.e. there is a flowing mater...
Published in Transport in Porous Media
This work is aimed towards deriving macroscopic models that describe pollutant migration through fractured porous media. A homogenisation method is used, that is, macroscopic models are deduced from the physical description over a representative elementary volume (REV), which consists of an open fracture surrounded by a porous matrix block. No spec...
