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During the fission process, the nucleus deforms and elongates up to the two fragments inception and their final separation at scission deformation. The evolution of the nucleus energy with deformation is determined by the macroscopic…
We investigate the deformation and failure mechanisms of phosphorene sheet and nanoribbons under uniaxial tensile strain along the zigzag direction using the density functional tight-binding method. Surprisingly, twin-like deformation…
Segregation of impurities to grain boundaries plays an important role in both the stability and macroscopic behavior of polycrystalline materials. The research objective in this work is to better characterize the energetics and length…
The mechanisms that govern a previously unexplained hardening effect of a single phase Cu-30wt%Zn {\alpha}-brass after heating have been investigated. After cold-work, the alloy possesses an increased yield strength and hardening rate only…
Twin boundaries (TBs) are assumed to be obstacles to dislocation motion and increase the strength of metals. Here, we report the abnormal phenomenon that TBs reduce the strength of body-centered cubic (BCC) tungsten (W). [1-11]-oriented W…
The dynamics of a free boundary problem for electrostatically actuated microelectromechanical systems (MEMS) is investigated. The model couples the electric potential to the deformation of the membrane, the deflection of the membrane being…
A numerical strategy to simulate plastic deformation in Mg alloys including dislocation slip and twin propagation is presented. Dislocation slip is included through a crystal plasticity model which is solved using the finite element method…
Efforts to estimate the magma decompression rate from the vesicular texture of volcanic products have progressed through the development of theoretical models and laboratory experiments. The theoretical model is based on nucleation theory,…
A comprehensive study on thermomechanical processing of pure Mg was conducted through sequential hot extrusion, hot rolling, and cold drawing operations. Three different extrusion ratios (6:1, 25:1, and 39:1) were investigated at…
The expansion of an isolated hot spherical nucleus with excitation energy and its caloric curve are studied in a thermodynamic model with the SkM* force as the nuclear effective two-body interaction. The calculated results are shown to…
Zirconium alloys are used in the nuclear industry as structural materials, and can be subject to high strain rate loading conditions during forming and in the case of a reactor accident. In this context, the relationship between strain rate…
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 quantum-based simulations of single grain boundary reflectivity of electrons in metals, Cu and Ag. We examine twin and non-twin grain boundaries using non-equilibrium Green's function and first principles methods. We also…
We propose a two dimensional frame-invariant phase field model of grain impingement and coarsening. One dimensional analytical solutions for a stable grain boundary in a bicrystal are obtained, and equilibrium energies are computed. We are…
Grain boundaries (GBs), an important constituent of polycrystalline materials, have a wide range of manifestion and significantly affect the properties of materials. Fully understanding the effects of GBs is stalemated due to lack of…
Fivefold-twinned metal nanoparticles host a central wedge disclination that strongly influences their mechanical and catalytic properties. Yet the atomistic mechanisms governing the stability, migration, and annihilation of this topological…
Advanced telescopes, such as ALMA and JWST, are likely to show that the chemical universe may be even more complex than currently observed, requiring astrochemical modelers to improve their models to account for the impact of new data.…
In this work, we apply a phase-field modeling framework to elucidate the interplay between nucleation and kinetics in the dynamic evolution of twinning interfaces. The key feature of this phase-field approach is the ability to transparently…
Sequences of experimental ground-state energies are mapped onto concave patterns cured from convexities due to pairing and/or shell effects. The same patterns, completed by a list of excitation energies, can be used to give numerical…
We derive solutions for the twin wall linking two tetragonal variants of the cubic-tetragonal ferroelastic transformation, including for the first time the dilatational and shear energies and strains. Our solutions satisfy the compatibility…