相关论文: Structure-Dynamics Relationship in Al-Mg-Si Liquid…

The potentiality of composition graded AlMgSi wires for optimized combination of electrical conductivity and torsion strength has been investigated. Composition graded wires were obtained by co-drawing commercially pure Al with an AlMgSi…

T-(Al20Cu2Mn3) phase dispersoids are important for limiting recovery and controlling grain growth in Al-Cu alloys. However, these dispersoids can also reduce precipitation hardening by acting as heterogeneous nucleation sites and may lead…

Amorphous grain-boundary (GB) complexions in thermally stable nanocrystalline alloys are commonly assumed to be structurally homogeneous, yet their disordered nature makes them susceptible to local short-range ordering (SRO). The influence…

By use of the recurrent relation approach (RRA) we study the microscopic dynamics of liquid aluminium at T=973 K and develop a theoretical model which satisfies all the corresponding sum rules. The investigation covers the inelastic…

The properties of liquid Si-Ge binary systems at melting conditions deviate from those expected by the ideal alloy approximation. Particularly, a non-linear dependence of the dielectric functions occurs with the reflectivity of liquid Si-Ge…

The complex atomic scale structure of high entropy alloys presents new opportunities to expand the deformation theories of mechanical metallurgy. In this regard, solute-defect interactions have emerged as critical piece in elucidating the…

In this work, using the methods of viscosimetry and thermal analysis, the concentration changes in the values of the supercooling viscosity of Al-Mg melts with Mg content from 2.5 to 95 at.% are studied. It is shown that the temperature…

The slip behavior of dislocations and grain boundaries critically governs recrystallization and plastic deformation in Mg alloys and can be strongly influenced by solutes. However, the quantitative effects of solute distribution on defect…

Ni/Al reactive multilayers are promising materials for applications requiring controlled local energy release and superior mechanical performance. This study systematically investigates the impact of compositional variations, ranging from…

Diffusion plays a key role in microstructure evolution at multicomponent alloys: diffusion controls the kinetics of phase transformations and alloy homogenization. This study aims at developing computationally efficient approaches to…

Soda-lime-silica is a glassy system of strong industrial interest. In order to characterize its liquid state properties, we performed molecular dynamics simulations employing an aspherical ion model that includes atomic polarization and…

We present the results of first-principles molecular-dynamics simulations of molten silicates, based on the density functional formalism. In particular, the structural properties of a calcium aluminosilicate $ [$ CaO-Al$_2$O$_3$-SiO$_2$ $…

The interaction between edge basal dislocations and $\beta$-Mg$_{17}$Al$_{12}$ precipitates was studied using atomistic simulations. A strategy was developed to insert a lozenge-shaped Mg$_{17}$Al$_{12}$ precipitate with Burgers orientation…

Molecular dynamics simulation study based on the EAM potential is carried out to investigate the effect of pressure on the rapid solidification of Aluminum. The radial distribution function is used to characterize the structure of the Al…

The liquid structure of a glass-forming binary alloy is studied using molecular dynamics simulations. The analysis combines common neighbour analysis with the geometrical approach of Frank and Kasper to establish that the supercooled liquid…

We present results of extensive theoretical studies of Co$_2$FeAl$_{1-x}$Si$_x$ Heusler alloys, which have been performed in the framework of density functional theory employing the all-electron full-potential linearized augmented…

(Abridged abstract) Alloyed MgB2 differs from pure forms in that diffusion is needed to distribute the alloying elements homogeneously. Williamson-Hall analyses of x-ray diffraction peaks showed that Mg1-xAlxB2 samples made by a typical…

The effect of Mg content on the natural ageing of Al-Cu-Li-(Mg) alloys has been investigated on a compositionally graded material made by linear friction welding, allowing to probe Mg contents between 0 and 0.4 at.%. High throughput…

First-principles density functional calculations reveal that aluminum can form planar chains in zigzag and ladder structures. The most stable one has equilateral triangular geometry with four nearest neighbors; the other stable zigzag…

Using an artificial neural-network machine learning interatomic potential, we have performed molecular dynamics simulations to study the structure and dynamics of Fe90Si3O7 liquid close to the Earth's liquid core conditions. The simulation…