Related papers: Mesoscale Model for Predicting Hydrogen Damage in …
Carbon Nanotubes (CNTs) are one of the most important materials in nanotechnology. In some of their technological applications (electromechanical oscillators and mechanical actuators for artificial muscles, for instance), it is necessary to…
Titanium alloys are widely used in aerospace, biomedical, and energy applications owing to their high specific strength, corrosion resistance, and biocompatibility. Among them, $\alpha$-titanium alloys with a hexagonal close-packed (hcp)…
The influence of hydrogen on dislocation junctions was analysed by incorporating a hydrogen dependent core force into nodal based discrete dislocation dynamics. Hydrogen reduces the core energy of dislocations, which reduces the magnitude…
A promising option for storing large-scale quantities of green gases (e.g., hydrogen) is in subsurface rock salt caverns. The mechanical performance of salt caverns utilized for long-term subsurface energy storage plays a significant role…
While measurements of the polar dependence of the surface free energy are easily available, measurements of the whole polar dependence of the surface stress of a crystal do not exist. In this paper is presented a new procedure that allows,…
Liquid crystals (LCs) composed of mesogens play important roles in various scientific and engineering problems. How a system with many mesogens can enter a LC state is an interesting and important problem. Using stiff and free-joint…
We present a new framework to quantify the effect of hydrogen on dislocations using large scale three-dimensional (3D) discrete dislocation dynamics (DDD) simulations. In this model, the first order elastic interaction energy associated…
Post impingement morphology and dynamics of water droplets on convex cylindrical surfaces has been explored experimentally. Droplet impact and post-impact feature studies have been conducted on hydrophillic and superhydrophobic cylindrical…
Climate change motivates the search for non-carbon-emitting energy generation and storage solutions. Metal hydrides show promising characteristics for this purpose. They can be further stabilized by tailoring the negative pressure of…
Spontaneous self-assembly of hard convex polyhedra are known to form orientationally disordered crystalline phases, where particle orientations do not follow the same pattern as the positional arrangement of the crystal. A distinct type of…
We present a minimal Landau theory of plastic-to-crystal phase transitions in which the key components are a multipole-moment order parameter that describes the orientational ordering of the constituent molecules, coupling between such…
In this study, over different scenarios we will simulate a week coupling of hydromechanical loads in a long term CO2 injection with a hypothetical reservoir while the effect of pore water pressure and then multi-phase flow procedure has…
Size-dependence of plastic flow is studied by discrete dislocation dynamical simulation of systems with various numbers of interacting linear edge dislocations while the stress is slowly increased. Regions between avalanches in the…
As a consequence of elasticity, mechanical deformations of crystals occur on a length scale comparable to their thickness. This is exemplified by applying a homogeneous electric field to a multi-domain ferroelectric crystal: as one domain…
We present a novel computational framework to assess the structural integrity of welds. In the first stage of the simulation framework, local fractions of microstructural constituents within weld regions are predicted based on steel…
Understanding deformation in polycrystalline metals is critical to use them in high-value high-risk applications. We present in-situ characterisation of plastic deformation of zirconium, a hexagonal closed packed (HCP), metal. Analysis of…
A modified phase field crystal model in which the free energy may be minimised by an order parameter profile having isolated bumps is investigated. The phase diagram is calculated in one and two dimensions and we locate the regions where…
Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical…
Ferroelectric HfO2 films are usually polycrystalline and contain a mixture of polar and nonpolar phases. This challenges the understanding and control of polar phase stabilization and ferroelectric properties. Several factors such as…
The first study of the effect of the initial microstructure on its evolution under hydrostatic compression before, during, and after the irreversible $\alpha\rightarrow\omega$ phase transformation and during pressure release in Zr using in…