Related papers: Energetic contributions to deformation twinning in…
Contraction twinning in magnesium alloys leads to new grains that are misoriented from the parent grain by a rotation of 56 deg around the a-axis. The classical theory of deformation twinning does not precise the atomic displacements and…
Deformation twinning significantly influences the microstructure, texture, and mechanical properties of metals, necessitating comprehensive studies of twin formation and interactions. While experimental methods excel at analyzing individual…
Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…
Metastable alloys, such as $\beta$-phase titanium (Ti) alloys with a body-centered cubic (BCC) lattice, can exhibit exceptional mechanical properties through the interplay of multiple deformation mechanisms -- diffusionless phase…
A modified version of the previously proposed exponential model with pairing attenuation for the well deformed even-even nuclei has been applied to predict the energy levels of doubly even actinide nuclei. Satisfactory results are obtained…
The approach of nonequilibrium evolution thermodynamics earlier offered is developed. It helps to describe the processes of defect formation within the adiabatic approximation. The basic equations system depends on the initial defects…
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…
This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…
We quantify and explain the effects of both anti-phase boundaries and twin defects in as-transformed $\tau$-MnAl by carrying out micromagnetic simulations based closely on the results of microstructural characterization. We demonstrate that…
Tungsten (W) is the leading candidate material for plasma-facing components in fusion reactors, yet its upper operational temperature is limited by premature grain growth and recrystallization processes. Irradiation adds further…
We develop a 1D model of twin branching in shape memory alloys. The free energy of the branched microstructure comprises the interfacial and elastic strain energy contributions, both expressed in terms of the average twin spacing treated as…
Under high pressures, phase transition, as well as deformation twins, are constantly reported in many BCC metals, whose interactions are of fundamental importance to understand strengthen mechanism of these metals under extreme conditions.…
We develop a first-principles model of thermally-activated cross-slip in magnesium in the presence of a random solute distribution. Electronic structure methods provide data for the interaction of solutes with prismatic dislocation cores…
Microscopic models of the interaction between grain boundaries (GBs) and both dislocations and cracks are of importance in understanding the role of microstructure in altering the mechanical properties of a material. A recently developed…
Coarse-grained, metallic materials undergo microstructure refinement during tribological loading. This in turn results in changing tribological properties, so understanding deformation under tribological load is mandatory when designing…
Molecular dynamics simulations are performed to investigate the role of a coherent {\Sigma}3 (111) twin boundary on the plastic deformation behavior of Cu nanopillars. Our work reveals that the mechanical response of pillars with and…
A geometrically nonlinear sandwich beam model founded on the modified couple stress Timoshenko beam theory with K\'arm\'an kinematics is derived and employed in the analysis of periodic sandwich structures. The constitutive model is based…
The objective of this work is to deconvolute the interaction of slip, twinning, and notch on the deformation response of an austenitic manganese (Hadfield) steel using detailed finite element simulations. The simulations employ a…
Grain boundaries can exist as different grain boundary phases (also called complexions) with individual atomic structures. The thermodynamics of these defect phases in high-angle grain boundaries were studied mostly with atomistic and phase…
The grain boundary (GB) energy has a profound influence on the grain growth and properties of polycrystalline metals. Here, we show that the energy of a GB, normalized by the bulk cohesive energy, can be described purely by four geometric…