Related papers: An atomistic/continuum coupling method using enric…
We develop an inertial coupling method for modeling the dynamics of point-like 'blob' particles immersed in an incompressible fluid, generalizing previous work for compressible fluids. The coupling consistently includes excess (positive or…
In this paper, we propose a stabilised finite element method for the numerical solution of contact between a small deformation elastic membrane and a rigid obstacle. We limit ourselves to friction--free contact, but the formulation is…
Quantum embedding methods have become a powerful tool to overcome deficiencies of traditional quantum modelling in materials science. However, while these are systematically improvable in principle, in practice it is rarely possible to…
We present a reduced basis technique for long-time integration of parametrized incompressible turbulent flows. The new contributions are threefold. First, we propose a constrained Galerkin formulation that corrects the standard Galerkin…
Molecular dynamics simulations are an invaluable tool in numerous scientific fields. However, the ubiquitous classical force fields cannot describe reactive systems, and quantum molecular dynamics are too computationally demanding to treat…
The subject of this work is an adaptive stochastic Galerkin finite element method for parametric or random elliptic partial differential equations, which generates sparse product polynomial expansions with respect to the parametric…
Analysis of an interface stabilised finite element method for the scalar advection-diffusion-reaction equation is presented. The method inherits attractive properties of both continuous and discontinuous Galerkin methods, namely the same…
We present a holistic framework for Continual Model Merging (CMM) that intervenes at three critical stages: pre-merging, during merging, and post-merging-to address two fundamental challenges in continual learning. In particular,…
Atomistic-continuum multiscale modelling is becoming an increasingly popular tool for simulating the behaviour of materials due to its computational efficiency and reliable accuracy. In the case of ferromagnetic materials, the atomistic…
We developed a computational framework for simulating thin fluid flow in narrow interfaces between contacting solids, which is relevant for a range of engineering, biological and geophysical applications. The treatment of this problem…
A monolithic coupling between the material point method (MPM) and the finite element method (FEM) is presented. The MPM formulation described is implicit, and the exchange of information between particles and background grid is minimized.…
We report a new Quantum Mechanical/Molecular Dynamics (QM/MD) simulation loop to model the coupling between the electron and atom dynamics in solid/liquid interfacial systems. The method can describe simultaneously both the quantum…
We consider wave propagation in a coupled fluid-solid region, separated by a static but possibly curved interface. The wave propagation is modeled by the acoustic wave equation in terms of a velocity potential in the fluid, and the elastic…
This paper develops efficient algorithms for distributed average consensus with quantized communication using the alternating direction method of multipliers (ADMM). We first study the effects of probabilistic and deterministic…
The solution $u$ of an elliptic interface problem in a domain $\Omega$ is often smooth away from the interface $\Gamma\subset \Omega$, but its gradient is discontinuous across $\Gamma$, resulting in low regularity; in particular, $u \notin…
A novel micromixing technique that exploit a thrust of droplets into the mixing interface is developed. The technique enhances the mixing by injecting immiscible droplets in a mixing channel and the methodology enables a control of the…
In chemical analysis made by laboratories one has the problem of determining the concentration of a chemical element in a sample. In order to tackle this problem the guide EURACHEM/CITAC recommends the application of the linear calibration…
Adaptive quasicontinuum (QC) methods are important methodologies in molecular mechanics for the simulations of materials with defects, intending to achieve the optimal balance of accuracy and efficiency on the fly. In this study, we propose…
A novel approach is being developed to introduce a parallel asynchronous implementation of non-intrusive global-local coupling. This study examines scenarios involving numerous patches, including those covering the entire structure. By…
We try to increase the fundamental symmetries of the anyonic particle with the help of the symplectic formalism of constrained systems and gauging the model. The main idea of this approach is based on the embedding of the model in an…