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Organic molecular crystals encompass a vast range of materials from pharmaceuticals to organic optoelectronics and proteins to waxes in biological and industrial settings. Crystal defects from grain boundaries to dislocations are known to…
In this paper a lattice model for the diffusional transport of particles in the interphase cell nucleus is proposed. The dynamic behaviour of single chains on the lattice is investigated and Rouse scaling is verified. Dynamical dense…
Plastic deformation of heterogeneous solid structures is often characterized by random intermittent local plastic events. On the mesoscale this feature can be represented by a spatially fluctuating local yield threshold. Here we study the…
Local diffusion coefficients in disordered systems such as spin glass systems and living cells are highly heterogeneous and may change over time. Such a time-dependent and spatially heterogeneous environment results in irreproducibility of…
The geometry of fracture patterns in a dilute elastic network is explored using molecular dynamics simulation. The network in two dimensions is subjected to a uniform strain which drives the fracture to develop by the growth and coalescence…
Rapid progress in additive manufacturing methods has created a new class of ultralight and strong architected metamaterials that resemble periodic truss structures. The mechanical performance of these metamaterials with a very large number…
In this work, a combined modelling approach for crack propagation in defective graphene is presented. Molecular dynamics (MD) simulations are used to obtain material parameters (Young's modulus and Poisson ratio) and to determine the energy…
The diffusion of molecules (penetrants) of variable size, shape, and chemistry through dense crosslinked polymer networks is a fundamental scientific problem that is broadly relevant in materials, polymer, physical and biological chemistry.…
A three-dimensional Multiphysics Lattice Discrete Particle Model (M-LDPM) framework is formulated to investigate the fracture permeability behavior of shale. The framework features a dual lattice system mimicking the mesostructure of the…
Cracks, the major vehicle for material failure, tend to accelerate to high velocities in brittle materials. In three-dimensions, cracks generically undergo a micro-branching instability at about 40% of their sonic limiting velocity. Recent…
Accurate prediction of the force required to puncture a soft material is critical in many fields like medical technology, food processing, and manufacturing. However, such a prediction strongly depends on our understanding of the complex…
In this review article we consider the crack growth resistance ofmicrometer and submicrometer sized samples from the fracture mechanics point of view. Standard fracture mechanics test procedures were developed for macroscale samples, and…
In many scenarios -- when we bite food or during a crash -- fracture is inevitable. Finding solutions to steer fracture to mitigate its impact or turn it into a purposeful functionality, is therefore crucial. Strategies using composites,…
Rapid emergence of the multimodal imaging in scanning probe, electron, and optical microscopies have brought forth the challenge of understanding the information contained in these complex data sets, targeting both the intrinsic…
The movement of intracellular cargo transported by molecular motors is commonly marked by switches between directed motion and stationary pauses. The predominant measure for assessing movement is effective diffusivity, which predicts the…
This work presents a comprehensive investigation of the elastic and fracture behavior of ply-to-ply angle interlock three-dimensional woven composites. The research investigated novel splitting and wedge-driven out-of-plane fracture tests…
We present a study of the bend angle distribution of semiflexible polymers of short and intermediate lengths within the wormlike chain model. This enables us to calculate the elastic response of a stiff molecule to a bending moment. Our…
The thermal decay of linear chains from a metastable state is investigated. A crossover from rigid to elastic decay occurs when the number of particles, the single particle energy barrier or the coupling strength between the particles is…
Fractured metal fragments with rough and irregular surfaces are often found at crime scenes. Current forensic practice visually inspects the complex jagged trajectory of fractured surfaces to recognize a ``match'' using comparative…
Fracture toughness is the material property characterizing resistance to failure. Predicting its value from the solid structure at the atomistic scale remains elusive, even in the simplest situations of brittle fracture. We report here…