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We present a multi-scale density functional theory (DFT) informed molecular dynamics and tight-binding (TB) approach to capture the interdependent atomic and electronic structures of twisted bilayer graphene. We calibrate the flat band…
We use the Discrete Element Method (DEM) to understand the underlying attenuation mechanism in granular media, with special applicability to the measurements of the so-called effective mass developed earlier. We consider that the particles…
A simple position-dependent body force-based confinement for simulating triaxial tests using the Discrete Element Method is presented. The said method is used to perform triaxial simulations on mono-disperse and segregated assemblies of…
Detuning of the fundamental is a way to enhance harmonic generation . By this method, the wiggler is composed of two segments in such a way that the fundamental resonance of the second segment to coincide with the third harmonic of the…
Contact friction is a key influence factor for the shearing behaviour of granular media. In the discrete element method (DEM) contact friction is usually modelled with Coulomb's law assuming a constant interparticle friction coefficient.…
The scalar glueball, the lightest state in the gluonic Yang-Mills (YM) sector of QCD, is stable in that framework. The scattering of two scalar glueballs is therefore a well defined process in YM, which can be studied with the tools of…
Diffusion Models (DMs) have impressive capabilities among generation models, but are limited to slower inference speeds and higher computational costs. Previous works utilize one-shot structure pruning to derive lightweight DMs from…
This paper proposes a low order geometrically exact flexible beam formulation based on the utilisation of generic beam shape functions to approximate distributed kinematic properties of the deformed structure. The proposed nonlinear beam…
Tabulated chemistry methods are a well-known strategy to efficiently store the flows thermochemical properties. In particular, the Flamelet-Generated Manifold (FGM) is a widely used technique that generates the database with a small number…
We present an orthotropic elastic analysis of frictional granular layers under gravity by studying their stress response to a localized overload at the layer surface for several substrate tilt angles. The distance to the unjamming…
In [Bonito et al., J. Comput. Phys. (2022)], a local discontinuous Galerkin method was proposed for approximating the large bending of prestrained plates, and in [Bonito et al., IMA J. Numer. Anal. (2023)] the numerical properties of this…
The structure and degree of order in soft matter and other materials is intimately connected to the nature of the interactions between the particles. One important research goal is to find suitable control mechanisms, to enhance or suppress…
Sintering of printed porcelain filaments can be strongly affected by overhang geometry, thin features, and printing-induced anisotropy. These effects are particularly difficult to simulate because they require accurately capturing the…
In this Letter, the 2-dimensional dense flow of polygonal particles on an incline with a flat frictional inferior boundary is analyzed by means of contact dynamics discrete element simulations, in order to develop boundary conditions for…
Twisted graphene bilayers show a complex electronic structure, further modified by interaction effects. The main features can be obtained from effective models, which make use a few phenomenological parameters. We analyze the influence of…
In this work, the finite elements method (FEM) is used to analyse the growth of fretting cracks. FEM can be favourably used to extract the stress intensity factors in mixed mode, a typical situation for cracks growing in the vicinity of a…
Most research on the simulation of deformation and failure of metals has been and continues to be performed using the finite element method. However, the issues of mesh entanglement under large deformation, considerable complexity in…
We perform discrete element method (DEM) simulations of elongated grains in a shear cell for various particle aspect ratios and contact frictions, with an additional heterogeneous force perturbation in the flow direction. For a perturbation…
We present a machine learning (ML) method for efficient computation of vibrational thermal expectation values of physical properties from first principles. Our approach is based on the non-perturbative frozen phonon formulation in which…
A numerical scheme is proposed to identify low energy configurations of a F\"oppl-von K\'arm\'an model for bilayer plates. The dependency of the corresponding elastic energy on the in-plane displacement $u$ and the out-of-plane deflection…