Related papers: Twin nucleation in Ti: A study using nudged elasti…
The martensitic transformation is one of the most important phenomena in metals science due to its essential contribution to the strength of steels and most engineering alloys. Yet the basic, atomistic mechanisms leading to martensite…
Calibrating and verifying crystal plasticity material models is a significant challenge, particularly for materials with a number of potential slip and twin systems. Here we use digital image correlation on coarse-grained $\alpha$-uranium…
We study the nucleation and development of crack patterns in thin composite fibers under tension in this work. A fiber comprises an elastic core and an outer layer of a weaker brittle material. In recent tensile experiments on such…
We study numerically the energetics and atomic mechanisms of misfit dislocation nucleation and stress relaxation in a two-dimensional atomistic model of strained epitaxial layers on a substrate with lattice misfit. Relaxation processes from…
Deformation twinning, which occurs in fcc metals only under particular conditions of intrinsic material properties, microstructure, and loading conditions, occupies an indispensable place in their deformation mechanism maps. Nonetheless,…
Minimum energy paths for transitions such as atomic and/or spin rearrangements in thermalized systems are the transition paths of largest statistical weight. Such paths are frequently calculated using the nudged elastic band method, where…
It has become clear in recent years that the configuration space of the nuclear Skyrme model has, in each topological class, many almost degenerate local energy minima and that the number of such minima grows with the degree (or baryon…
Necking localization under quasi-static uniaxial tension is experimentally observed in ductile thin-walled cylindrical tubes, made of soft polypropylene. Necking nucleates at multiple locations along the tube and spreads throughout,…
A possible mechanism for the formation of a 90{\deg} misfit dislocation at the Ge/Si(001) interface through homogeneous nucleation is identified from atomic scale calculations where a minimum energy path connecting the coherent epitaxial…
We study the branching of twins appearing in shape memory alloys at the interface between austenite and martensite. In the framework of three-dimensional non-linear elasticity theory, we propose an explicit, low-energy construction of the…
Nuclear binding energies and two-neutron separation energies are analyzed starting from the liquid-drop model and the nuclear shell model in order to describe the global trends of the above observables. We subsequently concentrate on the…
We present a continuum model for symmetry-breaking phase transformations in intercalation compounds, based on Ericksen's multi-well energy formulation. The model predicts the nucleation and growth of crystallographic microstructures in…
It is well known that the twinning is an important mode of plastic deformation in nanocrystalline materials. As a result, it is expected that the twin can interact with different grain boundaries (GBs) during the plastic deformation.…
The atomic topology and magnetic microstructure of individual, highly mobile Type I and Type II twin boundaries in 10M Ni-Mn-Ga martensite were investigated by transmission electron microscopy (TEM). The twin boundaries established in a…
The modeling of solid-state transformations, such as polymorphic transitions and chemical reactions in molecular crystals, is vital for many applications including drug design or the development of new synthesis methods. However, a…
We demonstrate that the straightforward application of the Nudged Elastic Band (NEB) method does not determine the correct Peierls barrier of 1/2<111> screw dislocations in BCC metals. Although this method guarantees that the states…
The basic physics of nucleation in solid \hl{single-crystal} nanoparticles is revealed by a phase-field theory that includes surface energy, chemical reactions and coherency strain. In contrast to binary fluids, which form arbitrary contact…
We calculate the triton binding energy with a non-local NN potential that fits the world NN data below 350 MeV with the almost perfect $\chi^2$/datum of 1.03. The non-locality is derived from relativistic meson field theory. The result…
Although Ti2N and Ti belong to different crystal systems and Bravais lattices, we show that N intercalation in Hexagonal Close-Packed (HCP) Ti can lead to the formation of Ti2N by diffusionless displacement of Ti atoms, which is a…
There is growing interest in promoting deformation twinning for plasticity in advanced materials, as highly organized twin boundaries are beneficial to better strength-ductility combination in contrast to disordered grain boundaries.…