相关论文: The Crystallography of Aluminum and its Alloys
The solidification of metallic droplets into powder particles involves a complex interplay between heat diffusion, surface tension, and geometric constraints. In confined, curved systems -- such as those encountered in atomisation,…
Cadmium selenide (CdSe) is an inorganic semiconductor with unique optical and electronic properties that made it useful in various applications, including solar cells, light-emitting diodes, and biofluorescent tagging. In order to…
Non-aligning self-propelled particles with purely repulsive excluded volume interactions undergo athermal motility-induced phase separation into a dilute gas and a dense cluster phase. Here, we use enhanced sampling computational methods…
We report on a detailed study of the optical response and $T_c-\rho$ phase diagram ($T_c$ being the superconducting critical temperature and $\rho$ the normal state resistivity of the film) of granular aluminum, combining transport…
Aluminum-Copper (Al-Cu) alloys are essential materials for weight reduction critical structures in the aerospace and automotive industries, yet achieving their maximum ultrahigh-strength potential remains limited by nanoscale defect control…
Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is studied in terms of density functional theory based global and local reactivity descriptors. This study will provide important…
Applying focused ion beam (FIB) nanotomography and Rutherford backscattering spectroscopy (RBS) to dealloyed platinum-aluminum thin films an in-depth analysis of the dominating physical mechanisms of porosity formation during the dealloying…
Simulations at the atomic scale provide a direct and effective way to understand the mechanical properties of materials. In the regime of classical mechanics, simulations for the thermodynamic properties of metals and alloys can be done by…
The processes of radiation defects formation and evolution have been simulated in cubic dielectric crystals by the computational method of cellular automata. If suppose that the defects concentration as a parameter, which characterizes a…
We present in this letter a model of glass formation using energy barriers and a crystal nucleation process. We then analyze the corresponding dynamical equation in the vicinity of the stationary solutions. The occurence of a pure amorphous…
Thin film metallic glasses undergoing devitrification can form partially crystallized or fully crystallized materials with novel structural and magnetic properties. The development of desired and tunable properties of such systems drives…
Germanium single crystal having 45 mm diameter and 100 mm length of 7N+ purity has been grown by Czochralski method. Structural quality of the crystal has been characterized by Laue diffraction. Electrical conduction and Hall measurements…
The fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction of materials properties remains challenging due to its high…
The work on a new fully variational model of average-atom in quantum plasmas using a numerical code called VAAQP is reported. A brief description of the code is given. Application to aluminium at solid density and temperatures between 0.05…
We study the thermodynamics of metals by applying q-deformed algebras. We shall mainly focus our attention on q-deformed Sommerfeld parameter as a function of q-deformed electronic specific heat. The results revealed that q-deformation acts…
We describe the quasi-static collapse of a radiating, spherical shell of matter in de Sitter space-time using a thermodynamical formalism. It is found that the specific heat at constant area and other thermodynamical quantities exhibit…
The space of possible grain boundary structures is vast, with 5 macroscopic, crystallographic degrees of freedom that define the character of a grain boundary. While numerous datasets of grain boundaries have examined this space in part or…
To describe structural peculiarities in inhomogeneous media caused by the tendency to the close packing of atoms a formalism based on the using of the Riemann geometry methods (which were successfully applied lately to the description of…
Fragile materials ranging from sand to fire-retardant to toothpaste are able to exhibit both solid and fluid-like properties across the jamming transition. Unlike ordinary fusion, systems of grains, foams and colloids jam and cease to flow…
We perform nonadiabatic simulations of warm dense aluminum based on the electron-force field (EFF) variant of wave-packet molecular dynamics. Comparison of the static ion-ion structure factor with density functional theory (DFT) is used to…