Molecular dynamics investigation of deformation twinning in ?-TiAl sheared along the pseudo-twinning direction

In spite of being sheared along the so-called pseudo-twinning direction, ?-TiAl undergoes true twinning under zero pressure or hydrostatic tension by means of a specific combination of , and shears in two consecutive (1 1 1) matrix planes allowing the… Read moreMolecular dynamics investigation of deformation twinning in ?-TiAl sheared along the pseudo-twinning direction

Deformation in metals after low-temperature irradiation: Part I – Mapping macroscopic deformation modes on true stress–dose plane

Macroscopic deformation modes, elastic, uniform plastic, and unstable plastic deformation modes, are mapped in tensile true stress–dose space for more than two dozen metallic materials consisting of 13 body-centered cubic (bcc), 11 face-centered cubic (fcc), and two hexagonal closed packed… Read moreDeformation in metals after low-temperature irradiation: Part I – Mapping macroscopic deformation modes on true stress–dose plane

Orientation stability in equal channel angular extrusion. Part II: Hexagonal close-packed materials

The orientation stability in equal channel angular extrusion (ECAE) of hexagonal close-packed (hcp) crystals using a 90° die is investigated based on the three-dimensional lattice rotation fields from rate-dependent crystal plasticity simulations. The results show that for the major slip… Read moreOrientation stability in equal channel angular extrusion. Part II: Hexagonal close-packed materials

Orientation stability in equal channel angular extrusion. Part I: Face-centered cubic and body-centered cubic materials

Stability of crystallographic orientations is a key aspect in the characterization and understanding of texture evolution during plastic deformation. In this study, a rate-dependent crystal plasticity model was applied to investigate orientation stability during equal channel angular extrusion (ECAE) of… Read moreOrientation stability in equal channel angular extrusion. Part I: Face-centered cubic and body-centered cubic materials

Asymmetric surface intermixing during thin-film growth in the Co–Al system: Role of local acceleration of the deposited atoms

Surface intermixing behavior during thin-film deposition in the Co–Al system was investigated on the atomic scale by three-dimensional classical molecular dynamics simulation. Asymmetry of the surface intermixing was observed: Al deposition on a Co substrate resulted in an Al thin-film… Read moreAsymmetric surface intermixing during thin-film growth in the Co–Al system: Role of local acceleration of the deposited atoms

A computational analysis of the deformation mechanisms of a nanocrystal–metallic glass composite

Simulations of a monatomic model amorphous matrix embedded with approximately 37% of a body-centered cubic phase demonstrate mechanisms by which nanocrystallites can alter the mechanical response of metallic glass. Three effects affect the resulting ductility: (i) the presence of weak… Read moreA computational analysis of the deformation mechanisms of a nanocrystal–metallic glass composite

The fatigue behavior of I-phase containing as-cast Mg–Zn–Y–Zr alloy

The fatigue behavior of as-cast Mg–12%Zn–1.2%Y–0.4%Zr alloy has been investigated. The S–N curve showed that the fatigue strength at 107 cycles was 45 MPa. Scanning electron microscopy observations on the surfaces of the failed and unfailed specimens (after up to… Read moreThe fatigue behavior of I-phase containing as-cast Mg–Zn–Y–Zr alloy

Phase stabilities and thermal decomposition in the Zr1?xAlxN system studied by ab initio calculation and thermodynamic modeling

The ab initio density functional theory is used to calculate the lattice constants, total energy and bulk modulus of binary hexagonal close packed (hcp) and face-centered cubic (fcc) ZrN, AlN and ternary Zr1?xAlxN phases. The calculated results are supported by… Read morePhase stabilities and thermal decomposition in the Zr1?xAlxN system studied by ab initio calculation and thermodynamic modeling