Here we investigate whether certain face-centered cubic metals display a superior behavior of nanotwinned structures compared to others. We also address the question of an optimal lamella thickness that yields maximum strength and stability. Our analysis of the intrinsic stacking fault energies, csf , and the unstable stacking fault energies, cus, of Al, Pd, Cu and Ag, as well as our atomistic ...

The accurate determination of stacking fault energies (SFE) and associated restoring forces is important for understanding plastic deformation, especially the dislocation emission and motion in metals. In this work, we use density-functional theory (DFT) calculations to, systematically study the all-dimension relaxed atomic models of Mg crystal slip, with a special focus on the “subslip modes” ...

In an effort to establish a scientific foundation for the computational development of advanced Mg-based alloys, a systematic study of the generalized stacking fault (GSF) energy curves has been undertaken. Additionally, the associated stable and unstable stacking and twinning fault energies, ideal shear strengths, and comparative twinnability have been investigated in terms of first-principles...

We report measurements of the spatial distribution of stacking faults in colloidal crystals formed by means of an oscillatory shear field at a particle volume fraction of 52% in a system where the pair potential interactions are mildly repulsive. Stacking faults are directly visualized via confocal laser scanning microscopy. Consistent with previous scattering studies, shear orders the initiall...

In the crystal structure of the title compound, (C(10)H(15)ClN(2))[ZnCl(4)]·H(2)O, the Zn atom is coordinated by four Cl atoms in a tetrahedral geometry. The water mol-ecules and the 1-(4-chloro-phen-yl)piperazine-1,4-diium cations inter-act with the [ZnCl(4)](2-) anions through O-H⋯Cl, N-H⋯Cl, N-H⋯O and C-H⋯Cl hydrogen bonds (five simple and one bifurcated). Inter-molecular π-π stacking inter-...

In the title compound, [CoCl(2)(C(13)H(14)N(2))](n), 1,3-bis-(4-pyrid-yl)propane (bpp) ligands bridge four-coordinate Co atoms, generating an extended one-dimensional zigzag chain. Both the Co and two Cl atoms in the tetrahedral coordination polyhedron lie on a mirror plane, while the bbp ligand is bis-ected through the central C atom in the chain by a second mirror plane. There are some π-π st...

Stacking Fault Energy (SFE) is an intrinsic alloy property that governs much of the plastic deformation mechanisms observed in fcc alloys. While SFE has been recognized for many years as a key mechanical property, its inference via experimental observations or prediction using, example, computationally intensive first-principles methods challenging. This difficulty precludes explicit use design...

Nickel hydroxide materials described as having stacking fault and phase interstratification disorder were synthesised shown by spectroscopic methods to contain multiple layered hydroxysalt structures.