Related papers: Structure-Property Linkage in Shocked Multi-Materi…
This paper describes the results of our theoretical and numerical studies of hydrodynamic interactions in a suspension of spherical particles confined between two parallel planar walls, under creeping-flow conditions. We propose a novel…
The computational prediction of the structure and stability of hybrid organic-inorganic interfaces provides important insights into the measurable properties of electronic thin film devices, coatings, and catalyst surfaces and plays an…
In this work, we couple a high-accuracy phase-field fracture reconstruction approach iteratively to fluid-structure interaction. The key motivation is to utilize phase-field modelling to compute the fracture path. A mesh reconstruction…
The problem of multiphase materials (fluid or solid) interacting with the rigid body structure is studied by proposing a novel VMS-FEM (variational multi-scale finite element method) in the Eulerian framework using the fixed mesh. The…
A few years ago it was showed that some systems that have very similar local structure, as quantified by the pair correlation function, exhibit vastly different slowing down upon supercooling [L. Berthier and G. Tarjus, Phys. Rev. Lett.…
The structural properties of strongly coupled ions in dense plasmas with moderately to strongly degenerate electrons are investigated in the framework of the one-component plasma model of ions interacting through a screened pair interaction…
Seismic interpretation is strongly influenced by the relationship between subsurface layer depth and velocity. Small variations in these parameters can produce almost identical responses, characterizing the depth-velocity trade-off…
In multiscale modelling, multiple models are used simultaneously to describe scale-dependent phenomena in a system of interest. Here we introduce a machine learning (ML)-based multiscale modelling framework for modelling hierarchical…
We present a technique for calculating free-energy profiles for the nucleation of multicomponent structures that contain as many species as building blocks. We find that a key factor is the topology of the graph describing the connectivity…
Although it is unambiguously agreed that structure plays a fundamental role in shaping the dynamics of complex systems, this intricate relationship still remains unclear. We investigate a general computational transformation by which we can…
Diffuse-interface theory provides a foundation for the modeling and simulation of microstructure evolution in a very wide range of materials, and for the tracking/capturing of dynamic interfaces between different materials on larger scales.…
In previous work, we introduced a method for modeling a configuration of objects in 2D and 3D images using a mathematical "medial/skeletal linking structure." In this paper, we show how these structures allow us to capture positional…
It is difficult to quantify structure-property relationships and to identify structural features of complex materials. The characterization of amorphous materials is especially challenging because their lack of long-range order makes it…
We present a loosely coupled approach for the solution of fluid-structure interaction problems between a compressible flow and a deformable structure. The method is based on staggered Dirichlet-Neumann partitioning. The interface motion in…
Metal-organic frameworks (MOFs) are highly interesting and tunable materials. By incorporating spatial defects into their atomic structure, MOFs can be finetuned to exhibit precise chemical functionalities, extending their applicability in…
In this paper we propose a model for a sewer network coupled to surface flow and investigate it numerically. In particular, we present a new model for the manholes in storm sewer systems. It is derived using the balance of the total energy…
Multifields datasets are common in a large number of research and engineering applications of computational science. The effective visualization of the corresponding datasets can facilitate their analysis by elucidating the complex and…
This study introduces a pore morphology algorithm that emphasizes the central role of topology in multiphase flow through porous media. Analysis of drainage in lattice-based pore networks identifies two key quantities, the percolation…
Engineering design via CAD software relies on Non-Uniform Rational B-Splines (NURBS) as a means for representing and communicating geometry. Therefore, in general, a NURBS description of a given design can be considered the exact…
An image based prediction of the effective heat conductivity for highly heterogeneous microstructured materials is presented. The synthetic materials under consideration show different inclusion morphology, orientation, volume fraction and…