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A phase field model is presented to investigate dislocation formation (coherency loss) and workhardening in two-phase binary alloys. In our model the elastic energy density is a periodic function of the shear and tetragonal strains, which…
We provide the first characterization of the nonlinear and time dependent rheologic response of viscoelastic bottom-up holographic models. More precisely, we perform oscillatory shear tests in holographic massive gravity theories with…
The electronic energy band structure of strained and unstrained Si, Ge and SiGe alloys is examined in this work using thirty-level k.p analysis. The energy bands are at first obtained with ab initio calculations based on the…
The infrared spectroscopy and proton transfer dynamics together with the associated tunneling splittings for H/D-transfer in oxalate are investigated using a machine learning-based potential energy surface (PES) of CCSD(T) quality,…
We develop a continuum elastic approach to examining the bending mechanics of semiflexible filaments with a local internal degree of freedom that couples to the bending modulus. We apply this model to study the nonlinear mechanics of a…
Accurate and robust models for the pressure strain correlation are an essential component for the success of Reynolds Stress Models in turbulent flow simulations. However replicating the non-local action of pressure using only local tensors…
The twisting deformation of mechanically stretched DNA molecules is studied by a coarse grained Hamiltonian model incorporating the fundamental interactions that stabilize the double helix and accounting for the radial and angular base pair…
In a recent feature article in this journal, co-authored by Gert van der Heijden, I described the static-dynamic analogy and its role in understanding the localized post-buckling of shell-like structures, looking exclusively at integrable…
Understanding the non-equilibrium behavior of stainless steel under extreme electronic excitation remains a critical challenge for laser processing and radiation science. We employ a hybrid framework integrating density-functional tight…
The elastic constant tensors for the hcp phases of three transition metals (Co, Re, and Fe) are computed as functions of pressure using the Linearized Augmented Plane Wave method with both the local density and generalized gradient…
Next-generation, atomically thin devices require in-plane, one-dimensional heterojunctions to electrically connect different two-dimensional (2D) materials. However, the lattice mismatch between most 2D materials leads to unavoidable…
The incidence of vertebral fragility fracture is increased by the presence of preexisting pathologies such as metastatic disease. Computational tools could support the fracture prediction and consequently the decision of the best medical…
A new strain energy function for the hyperelastic modelling of ligaments and tendons whose fascicles have a helical arrangement of fibrils is derived. The stress-strain response of a single fascicle whose fibrils exhibit varying levels of…
Wood's increasing role as a structural resource in sustainable materials selection demands accurate characterization of its mechanical behavior. Its performance arises from a hierarchical structure, where the dominant load-bearing component…
Strain is a powerful experimental tool to explore new electronic states and understand unconventional superconductivity. Here, we investigate the effect of uniaxial strain on the nematic and superconducting phase of single crystal FeSe…
Microscale dynamic testing is vital to the understanding of material behavior at application relevant strain rates. However, despite two decades of intense micromechanics research, the testing of microscale metals has been largely limited…
The precision, stability, and performance of lightweight high-strength steel structures in heavy machinery is affected by their highly nonlinear dynamics. This, in turn, makes control more difficult, simulation more computationally…
High entropy oxides (HEOs) are a class of materials with vast compositional space and tunable properties, making them attractive for applications in thermoelectrics, magnetism, ionic conduction, and beyond. However, their metastable nature…
Reliability theory is used to assess the sensitivity of a passive flexion and active flexion of the human lower leg Finite Element (FE) models with Total Knee Replacement (TKR) to the variability in the input parameters of the respective FE…
We used computer simulations to study spontaneous strain localization in granular materials, as a result of symmetry breaking non-homogeneous deformations. Axisymmetric triaxial shear tests were simulated by means of standard…