Related papers: $\mu$2mech: a Software Package Combining Microstru…
We present a novel, generalised formulation to treat coupled structural integrity problems by combining phase field and multi-physics modelling. The approach exploits the versatility of the heat transfer equation and is therefore well…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…
The formation of biomolecular materials via dynamical interfacial processes such as self-assembly and fusion, for diverse compositions and external conditions, can be efficiently probed using ensemble Molecular Dynamics. However, this…
Fast, accurate, and generalizable simulations are a key enabler of modern advances in robot design and control. However, existing simulation frameworks in robotics either model rigid environments and mechanisms only, or if they include…
This article presents GRFsaw, an open-source software for generating two-phase (binary) microstructures with user-defined structural properties. Unlike most standard software for microstructure generation, GRFsaw is based on the concept of…
The paper describes capabilities of numerical simulation of liquid flows with solid and/or gas admixtures in centrifugal pumps using modern commercial CFD software packages, with the purpose to predict performance curves of the pumps…
The developed computational approach is capable of initiating and propagating cracks inside materials and along material interfaces of general multi-domain structures under quasi-static conditions. Special attention is paid to particular…
Recent advances in electron microscopy have enabled the imaging of single cells in 3D at nanometer length scale resolutions. An uncharted frontier for in silico biology is the ability to simulate cellular processes using these observed…
We have developed URDME, a general software for simulation of stochastic reaction-diffusion processes on unstructured meshes. This allows for a more flexible handling of complicated geometries and curved boundaries compared to simulations…
This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…
This paper describes the generation of initial conditions for numerical simulations in cosmology with multiple levels of resolution, or multiscale simulations. We present the theory of adaptive mesh refinement of Gaussian random fields…
This paper is devoted to the construction of a new fast-to-evaluate model for the prediction of 2D crack paths in concrete-like microstructures. The model generates piecewise linear cracks paths with segmentation points selected using a…
Photonic computing using chalcogenide phase-change materials (PCMs) is under active development for energy-efficient artificial intelligence (AI) applications. A key requirement is to enable as many optically programmable levels per device…
The phase-field model (PFM) represents the crack geometry in a diffusive way without introducing sharp discontinuities. This feature enables PFM to effectively model crack propagation compared with numerical methods based on discrete crack…
The transport and manipulation of particles and cells in microfluidic devices has become a core methodology in domains ranging from molecular biology to manufacturing and drug design. The rational design and operation of such devices can…
The manufacturing process of Sheet Molding Compound (SMC) influences the properties of a component in a non-deterministic fashion. To predict this influence on the mechanical performance, we develop a virtual process chain acting as a…
Structure identification in cosmological simulations plays an important role in analysing simulation outputs. The definition of these structures directly impacts the inferred properties derived from these simulations. This paper proposes a…
Effective relaxation methods are necessary for good multigrid convergence. For many equations, standard Jacobi and Gau{\ss}-Seidel are inadequate, and more sophisticated space decompositions are required; examples include problems with…
MEG (Mu to Electron Gamma) is an experiment dedicated to search for the $\mu^+ \rightarrow e^+\gamma$ decay that is strongly suppressed in the Standard Model but predicted in several Super Symmetric extensions of it at an accessible rate.…
Obtaining a rigorous and reliable method for linking computer simulations of polymer blends and composites at different length scales of interest is a highly desirable goal in soft matter physics. In this paper a multiscale modeling…