相关论文: Role of Zr in Cu-rich single-phase and nanocomposi…

Plasmonic Cu nanoparticles were in-situ grown into a Cu$_2$O semiconductor matrix by using reactive magnetron sputtering and adjusting the amount of oxygen available during the synthesis in order to prevent the oxidation of part of copper…

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…

A Cu-Cr composite was processed by severe plastic deformation to investigate the role of interphase boundaries on the grain size reduction mechanisms. The as-deformed material exhibits a grain size of only 20nm. This gives rise to a…

Nanocrystalline Cu-3 at.% Zr powders with ~20 nm average grain size were created with mechanical alloying and their thermal stability was studied from 550-950 {\deg}C. Annealing drove Zr segregation to the grain boundaries, which led to the…

In this work, the single-component Cu metallic glass was fabricated by the physical vapor deposition on the Zr (0001) crystal substrate at 100 K using the classical molecular dynamic simulation. The same deposition process was performed on…

We study correlations of non-affine displacement during simple shear deformation of Cu-Zr bulk metallic glasses in molecular dynamics calculations. In the elastic regime, our calculations show exponential correlation with a decay length…

The oxidation behavior of W-Zr thin-film metallic glasses (TFMGs) with 32, 48 and 61 at.% Zr, prepared by dc magnetron co-sputtering, was comprehensively studied after annealing in synthetic air. The study focuses on the effect of the…

Zr-Cu-Al alloys belong to a commercially important family of CuZr-based alloys that form bulk metallic glasses on microalloying of Al. However, the identification of compositions with good glass-forming ability and desirable properties from…

The chemical composition and structural state of advanced alloys are the decisive factors in optimum biomedical performance. This contribution presents unique Ti-Zr-Ge metallic glass thin-film compositions fabricated by magnetron sputter…

Crucial to gaining control over crystallisation in multicomponent materials or accurately modelling rheological behaviour of magma flows is to understand the mechanisms by which crystal nuclei form. The microscopic nature of such nuclei,…

This paper reviews the status of molecular dynamics as a method in describing solid-solid phase transitions, and its relationship to continuum approaches. Simulation work done in NiTi and Zr using first principles and semi-empirical…

To understand the mechanisms by which Fe and Cr additions increase the corrosion rate of irradiated Zr alloys, a combination of experimental (atom probe tomography, x-ray diffraction and thermoelectric power measurements) and modelling…

Anisotropic core-shell model of a nano-grained polycrystal, proposed recently for nanocrystalline copper, is applied to estimate elastic effective properties for a set of crystals of cubic symmetry. Materials selected for analysis differ in…

The static and dynamic roughenings of a growing crystalline facet is studied where the growth mechanism is controlled by a restricted-curvature (RC) geometry. A continuum equation, in analogy with the Kardar-Parisi-Zhang (KPZ) equation is…

We apply a first-principles-based atomistic model to investigate the BaTi(1-x)Zr(x)O3 phase diagram, focusing on both macroscopic and local structural changes. Our approach, which combines molecular dynamics with machine learning…

We report on the structural and superconducting properties of nanocrystalline tungsten thin films growth by sputtering at room temperature with an N2:Ar mixture (N2 from 3% to 50%). The crystalline phases were identified by comparing…

We present the first high pressure Raman study on nanocrystalline ZnO films with different average crystallite sizes. The problem of low Raman signals from nano sized particles was overcome by forming a nanocomposite of Ag and ZnO…

The amorphous-to-crystalline transition in Al(1.0%wtSi)/Zr and Al(Pure)/Zr multilayers grown by direct-current magnetron sputtering system has been characterized over a range of Al layer thicknesses (1.0-5.0 nm) by using a series of…

Amorphous complexions in nanocrystalline metals have the potential to improve mechanical properties and radiation tolerance, as well as resistance to grain growth. In this study, the stability of amorphous complexions in binary and ternary…

We present a multiscale modelling framework that integrates density functional theory (DFT) with a phase-field model (PFM) to explore the intricate dynamics of grain growth in nanocrystalline {\alpha}-Fe single-phase alloy in the presence…