Related papers: A Simulation Method for Particle Fragmentation Bas…
Protein characterization is one of the key components for understanding the human body and advancing drug discovery processes. While the future of quantum hardware holds the potential to accurately characterize these molecules, current…
Phase-field approaches to fracture based on energy minimization principles have been rapidly gaining popularity in recent years, and are particularly well-suited for simulating crack initiation and growth in complex fracture networks. In…
The interstellar medium is observed in a hierarchical fractal structure over several orders of magnitude in scale. Aiming to understand the origin of this structure, we carry out numerical simulations of molecular cloud fragmentation,…
We present a boundary-spheropolygon element method (BSEM), that combines the boundary integral method (BIM) and the spheropolygon-based discrete element method (SEM). The interaction between particles is simulated via the SEM, and the…
We investigate fracture and fragmentation of solids due to impact at low energies using a two-dimensional dynamical model of granular solids. Simulating collisions of two solid discs we show that, depending on the initial energy, the…
We present a model of solids made from polygonal cells connected via beams. We calculate the macroscopic elastic moduli from the beam and cell parameters. This modellisation is particularly suited for the simulation of fragmentation…
Using a simple and generic molecular dynamics model, we study the damage in a disc of interacting particles as the disc fragments upon impact with a wall. The damage, defined as the ratio of the number of bonds broken by the impact to the…
We investigate the fragmentation process of solid materials with crystalline and amorphous phases using the discrete element method. Damage initiates inside spherical samples above the contact zone in a region where the circumferential…
We study the kinetics of nonlinear irreversible fragmentation. Here fragmentation is induced by interactions/collisions between pairs of particles, and modelled by general classes of interaction kernels, and for several types of breakage…
For problems in astrophysics, planetary science and beyond, numerical simulations are often limited to simulating fewer particles than in the real system. To model collisions, the simulated particles (aka superparticles) need to be inflated…
Many problems in physics, material sciences, chemistry and biology can be abstractly formulated as a system that navigates over a complex energy landscape of high or infinite dimensions. Well-known examples include phase transitions of…
Intergranular fracture in polycrystals is often simulated by finite elements coupled to a cohesive-zone model for the interfaces, requiring cohesive laws for grain boundaries as a function of their geometry. We discuss three challenges in…
We present a calculation of the change of free energy of a solid surface upon bending of the solid. It is based on extracting the surface stress through a molecular dynamics simulation of a bent slab by using a generalized stress theorem…
This work outlines a diffuse interface method for the study of fracture and fragmentation in ductile metals at high strain-rates in Eulerian finite volume simulations. The work is based on an existing diffuse interface method capable of…
A numerical model able to simulate the grain breakage with the discrete element method, using the "Non-Smooth Contact Dynamics" is presented. The model reproduces 3D grains having complex shapes and is tested in single grain and in…
Impact fragmentation is the underlying principle of comminution milling of dry, bulk solids. Unfortunately the outcome of the fragmentation process is more or less determined by the dimensionality of the impactor and its impact velocity.…
The techniques which allow the numerical evaluation of the statistical properties of the potential energy landscape for models of simple liquids are reviewed and critically discussed. Expressions for the liquid free energy and its…
Fragmentation can be observed in nature and in everyday life on a wide range of length scales and for all kinds of technical applications. Most studies on dynamic failure focus on the behaviour of bulk systems in one, two and three…
In this paper, we demonstrate the efficiency of simulations via direct computation of the partition function under various macroscopic conditions, such as different temperatures or volumes. The method can compute partition functions by…
Energy landscape analysis is a data-driven method to analyze multidimensional time series, including functional magnetic resonance imaging (fMRI) data. It has been shown to be a useful characterization of fMRI data in health and disease. It…