Related papers: Twin nucleation in Ti: A study using nudged elasti…
The wetting behavior of a liquid on solid substrates is governed by the nature of the effective interaction between the liquid-gas and the solid-liquid interfaces, which is described by the binding or wetting potential $g(h)$ which is an…
Twin boundaries play a central role in the functional behavior of martensitic materials, yet the mechanisms governing the initiation of their motion remain poorly understood for twins lying along irrational crystallographic directions. Here…
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…
Ice nucleation is greatly important in areas as diverse as climate change, cryobiology, geology or food industry. Predicting the ability of a substrate to induce the nucleation of ice from supercooled water is a difficult problem. Here, we…
Germanium is an extremely important material used for numerous functional applications in many fields of nanotechnology. In this paper, we study the crystallization of amorphous Ge using atomistic simulations of critical nano-metric nuclei…
A new approach that is a combination of classical thermodynamics and macroscopic kinetics is offered for studying the nucleation kinetics in condensed binary solutions. The theory covers the separation of liquid and solid solutions…
The origin of the superior high-temperature strength of {\gamma}-TiAl with high Nb addition remains highly controversial, largely due to the unclear role of Nb atoms. Using large-scale hybrid Monte Carlo and molecular dynamics simulations…
Needle-like twins are observed experimentally within the transition layer at the martensite-twinned martensite interface. We utilize a phase-field approach to investigate this microstructure. Our goal is to simulate the morphology of the…
A constant supply of oxygen has been assumed to be necessary for the growth of titanium nanoparticles by sputtering. This oxygen supply can arise from a high background pressure in the vacuum system or from a purposely supplied gas. The…
While deformation twinning in hexagonal close-packed metals has been widely studied due to its substantial impact on mechanical properties, an understanding of the detailed atomic processes associated with twin embryo growth is still…
Recent experimental advances highlight electron charge qubits floating above solid neon as an emerging promising platform for quantum computing, but the physical origin of single-electron lateral trapping is still not fully understood.…
At two-thirds the weight of aluminum, magnesium alloys have the potential to significantly reduce the fuel consumption of transportation vehicles. These advancements depend on our ability to optimize the desirable versus undesirable effects…
The microstructural mechanisms governing energy storage during plastic deformation of twinning-induced plasticity (TWIP) steels remain insufficiently understood, particularly under conditions of strain localization. This study provides a…
High pressure shear band formation is a critical phenomenon in energetic materials due to its influence on both mechanical strength and mechanochemical activation. While shear banding is know to occur in a variety of these materials, the…
When a crystalline solid such as iron is cooled across a structural transition, its final microstructure depends sensitively on the cooling rate. For instance, an adiabatic cooling across the transition results in an equilibrium `ferrite',…
We have constructed a complete hydrodynamic theory of nucleation and growth in a one--dimensional version of an elastic shear martensitic transformation with open boundary conditions where we have accounted for interfacial energies with…
Previous linear bifurcation analyses have evidenced that an axially stretched soft cylindrical tube may develop an infinite-wavelength (localised) instability when one or both of its lateral surfaces are under sufficient surface tension.…
Twinning in crystalline materials plays an important role in many transformation and deformation processes, where underlying mechanisms can be strongly influenced by the structural, energetic and kinetic properties of associated twin…
Nucleation and growth is the dominant relaxation mechanism driving first order phase transitions. In two-dimensional at systems nucleation has been applied to a wide range of problems in physics, chemistry and biology. Here we study…
We construct a comprehensive model atom for TiI-II using more than 3600 measured and predicted energy levels of TiI and 1800 energy levels of TiII, and quantum mechanical photoionisation cross-sections. Non-local thermodynamical equilibrium…