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Accurate dynamic models are crucial for many robotic applications. Traditional approaches to deriving these models are based on the application of Lagrangian or Newtonian mechanics. Although these methods provide a good insight into the…
Fatigue fracture is one of the main causes of failure in structures. However, the simulation of fatigue crack growth is computationally demanding due to the large number of load cycles involved. Metals in the low cycle fatigue range often…
The failure of materials and interfaces is mediated by cracks, nearly singular dissipative structures that propagate at velocities approaching the speed of sound. Crack initiation and subsequent propagation -- the dynamic process of…
To address the computational challenges of ab initio molecular dynamics and the accuracy limitations of empirical force fields, the introduction of machine learning force fields has proven effective in various systems including metals and…
Classical empirical force fields have dominated biomolecular simulation for over 50 years. Although widely used in drug discovery, crystal structure prediction, and biomolecular dynamics, they generally lack the accuracy and transferability…
We study the fatigue fracture of disordered materials by means of computer simulations of a discrete element model. We extend a two-dimensional fracture model to capture the microscopic mechanisms relevant for fatigue, and we simulate the…
We present a continuum theory to describe elastically induced phase transitions between coherent solid phases. In the limit of vanishing elastic constants in one of the phases, the model can be used to describe fracture on the basis of the…
We consider non-spherical rigid body particles in an incompressible fluid in the regime where the particles are too large to assume that they are simply transported with the fluid without back-coupling and where the particles are also too…
Earthquake fault zones are more complex, both geometrically and rheologically, than an idealised infinitely thin plane embedded in linear elastic material. To incorporate nonlinear material behaviour, natural complexities, and multi-physics…
Simulation of the crack network evolution on high strain rate impact experiments performed in brittle materials is very compute-intensive. The cost increases even more if multiple simulations are needed to account for the randomness in…
Molecular dynamics (MD) simulations allow atomistic insights into chemical and biological processes. Accurate MD simulations require computationally demanding quantum-mechanical calculations, being practically limited to short timescales…
We study size effects in the fracture strength of notched disordered samples using numerical simulations of lattice models for fracture. In particular, we consider the random fuse model, the random spring model and the random beam model,…
Recently, the machine learning force field has emerged as a powerful atomic simulation approach for its high accuracy and low computational cost. However, its applications in the multi-component materials are relatively less. In this study,…
Despite its critical role in the study of earthquake processes, numerical simulation of the entire stages of fault rupture remains a formidable task. The main challenges in simulating a fault rupture process include complex evolution of…
The propagation of cracks driven by a pressurized fluid emerges in several areas of engineering, including structural, geotechnical, and petroleum engineering. We present a robust numerical framework to simulate fluid-driven fracture…
Developing accurate and efficient coarse-grained representations of proteins is crucial for understanding their folding, function, and interactions over extended timescales. Our methodology involves simulating proteins with molecular…
Understanding and controlling fracture propagation is one of the most challenging engineering problems, especially in the oil and gas sector, groundwater hydrology and geothermal energy applications. Predicting the fracture orientation…
Phase field models have emerged as a powerful and flexible framework for simulating complex interface-driven phenomena across a wide range of scientific and engineering applications. In fracture mechanics, the phase field…
Thermal fracture is prevalent in many engineering problems and is one of the most devastating defects in metal additive manufacturing. Due to the interactive underlying physics involved, the computational simulation of such a process is…
The native structures of proteins, except for notable exceptions of intrinsically disordered proteins, in general take their most stable conformation in the physiological condition to maintain their structural framework so that their…