Related papers: Stability of Fe-based alloys with structure type C…
We have found that Ce3Pd20As6 crystallizes into a cubic C6Cr23-type structure. Combination of electron probe microanalysis of the chemical composition and Rietveld analysis of the powder X-ray diffraction pattern has revealed an…
When a liquid is cooled well below its melting temperature at a rate that exceeds the critical cooling rate $R_c$, the crystalline state is bypassed and an amorphous glassy state forms instead. $R_c$ (or the corresponding critical casting…
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,…
In this work we explore the interplay between crystallization and glass transition in different binary mixtures by changing their inter-species interaction length and also the composition. We find that only those systems which form bcc…
Study of condensed matter in certain extreme conditions allows one to better understand the mechanisms of microscopic structural transformations and to develop materials with completely new mechanical properties. In the present work, we…
During the solidification of Al-Sm metallic glasses the evolution of the supercooled liquid atomic structure has been identified with an increasing population of icosahedral-like clusters with increasing Sm concentration. These clusters…
We extend the Weak Crystallization theory to the case of metallic alloys. The additional ingredient -- itinerant electrons -- generates nontrivial dependence of free energy on the angles between ordering wave vectors of ionic density. That…
Micro- or minor alloying of metallic glasses is of technological interest. An originally ductile Pd-based monolithic bulk metallic glass (Pd$_{40}$Ni$_{40}$P$_{20}$) was selectively manipulated by additions of Fe or Co. The alloying effects…
Glass stability (GS) indicates the glass reluctance or ability to crystallise upon heating; it can be characterised by several methods and parameters and is frequently used to retrieve glass-forming ability (GFA) of corresponding liquids as…
Phase selection in deeply undercooled liquids and devitrified glasses during heating involves complex interplay between the barriers to nucleation and the ability for these nuclei to grow. During the devitrification of glassy alloys,…
Unlike crystals, glasses age or devitrify over time, reflecting their non-equilibrium nature. This lack of stability is a serious issue in many industrial applications. Here, we show by numerical simulations that the devitrification of…
Using molecular dynamics simulations, with a realistic many-body embedded-atom potential, and a novel method to characterize local order, we study the structure of pure nickel during the rapid quench of the liquid and in the resulting…
Using molecular simulations, we shed light on the mechanism underlying crystal nucleation in metal alloys and unravel the interplay between crystal nucleation and glass transition, as the conditions of crystallization lie close to this…
We demonstrate a remarkable equivalence in structure measured by total X-ray scattering methods between very small metallic nanoparticles and bulk metallic glasses (BMGs), thus connecting two disparate fields, shedding new light on both.…
Properties of the $\omega$ structure are investigated for 27 transition elements from the viewpoints of thermodynamical and mechanical stability based on first-principles calculations. The thermodynamical stability of the $\omega$ structure…
As a promising remedy for overcoming the limited ductility and work softening of bulk metallic glasses (BMGs), BMG composites incorporating a B2 crystalline phase have attracted considerable attention. Here, we explore the formation of…
The atomic structure of the supercooled liquid has often been discussed as a key source of glass formation in metals. The presence of icosahedrally-coordinated clusters and their tendency to form networks have been identified as one…
Metals in amorphous state are promising for the use as structural materials due to their superior properties related to the absence of grain boundaries and dislocations.Obtaining the amorphous state requires quenching with a high cooling…
New metallic glasses containing La or Ce have been introduced that have dynamic properties bordering on extremes of conventional metallic glasses. This provides opportunity to test trends or correlations established before in molecular and…
We applied an efficient methodology to separate vibrational and configurational entropies in bulk metallic glasses by means of molecular dynamics simulation based on a combination of non-equilibrium adiabatic switching and reversible…