相关论文: Solute softening and vacancy generation by diffusi…

We performed classical molecular dynamics simulations to investigate, from an atomistic point of view, the formation of dislocations during the epitaxial growth of Ge on Si. We show that simulations at 900 and 1000 K with deposition rates…

Plasticity in hexagonal close-packed zirconium is controlled by screw dislocations which easily glide in the prismatic planes where they are dissociated. At high enough temperatures, these dislocations can deviate out of the prism planes to…

We explore progress in understanding the behaviour of cation conducting glasses, within the context of an evolving ''dynamic structure model'' (DSM). This behaviour includes: in single cation glasses a strong dependence of ion mobility on…

Enhancing properties and performances of aluminium alloys by a control of their solidification is pivotal in automotive and aerospace industries. The fundamental role of the structure-diffusion relationship is investigated for Al-Mg-Si…

The dislocation structures appearing in highly mis-oriented soft/hard grain pairs in near-alpha titanium alloy Ti6242Si were examined with and without the application of load holds (dwell) during fatigue. Dislocation pile-up in a soft grain…

The Ga vacancy mediated microstructure evolution of (Ga,Mn)As during growth and post-growth annealing is studied using a multi-scale approach. The migration barriers for the Ga vacancies and substitutional Mn together with their…

Mg represents a group of technically important hexagonal-close packed (hcp) metals whose mechanical behaviors are very different from body-centered cubic (bcc) and face-centered cubic (fcc) metals and the underlying mechanisms remain…

The interaction between Mg edge basal dislocations and rod-shaped $\beta_1'$-MgZn$_2$ precipitates was studied by atomistic simulations using a new interatomic potential. The atomistic model was carefully built taking into account the…

The suitability of molecular statics (MS) simulations to model the structure of 90{\deg} glide set partial dislocation cores in GaAs is analyzed. In the MS simulations the atomic positions are iteratively relaxed by energy minimization, for…

Stress-driven segregation at dislocations can lead to structural transitions between different linear complexion states. In this work, we examine how platelet array linear complexions influence dislocation motion and quantify the associated…

In general, with the addition of solutes, the yield strength of alloys is expected to increase and this phenomenon is known as solid solution strengthening. However, reports on the ``anomalous'' softening with alloying additions are not…

A high-throughput methodology is proposed, based on the combination of diffusion couples and advanced nanomechanical testing methods, to directly measure alloying effects on the critical resolved shear stress (CRSS) of individual…

In the experiment on superfluid transport in solid He4 [PRL {\bf 100}, 235301 (2008)], Ray and Hallock observed an {\it anomalously large isochoric compressibility}: the supersolid samples demonstrated a significant and apparently spatially…

We investigate the relation between thermodynamic and dynamic properties of an associating lattice gas (ALG) model. The ALG combines a two dimensional lattice gas with particles interacting through a soft core potential and orientational…

The mechanical properties of Mg-4wt.% Zn alloy single crystals along the [0001] orientation were measured through micropillar compression at 23C and 100C. Basal slip was dominant in the solution treated alloy, while pyramidal slip occurred…

Solute segregation at low-angle grain boundaries (LAGBs) critically affects the microstructure and mechanical properties of magnesium (Mg) alloys. In modern alloys containing multiple substitutional elements, understanding solute-solute…

The diffusion of monovacancies in gold has been studied by computer simulation. Multiple jumps have been found to play a central role in the atomic dynamics at high temperature, and have been shown to be responsible for an upward curvature…

The liquid-solid diffusion couple technique, supported by phenomenological analysis and nano-indentation tests, is proposed on account of the relatively low melting points of Mg to explore the diffusion mobility and creep deformation. The…

The effect of Ca and Zn in solid solution on the critical resolved shear stress (CRSS) of <a> basal slip, tensile twinning and <c+a> pyramidal slip in Mg alloys has been measured through compression tests on single crystal micropillars with…

This work unravels the atomic details of the interaction of solute atoms with nanoscale crystalline defects. The complexity of this phenomenon is elucidated through detailed atom probe tomographic investigations on epitaxially-strained,…