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Multi-principal-element metallic alloys have created a growing interest that is unprecedented in metallurgical history, in exploring the property limits of metals and the governing physical mechanisms. Refractory high-entropy alloys (RHEAs)…
The cubic $C$15 CaAl$_2$ Laves phase is a crucial brittle intermetallic precipitate in Mg-Al-Ca alloys. Although knowledge of the mechanical properties of coexisting phases is essential for improved alloy design, the fracture toughness is…
We revisit the associating lattice gas~(ALG) introduced by Henriques \textit{et al.} [PRE 71, 031504 (2005)] in its symmetric version. In this model, defined on the triangular lattice, interaction between molecules occupying…
This work investigates the compatibility of $Zr_{2}AlC$ MAX phase-based ceramics with liquid LBE, and proposes a mechanism to explain the observed local $Zr_{2}AlC$/LBE interaction. The ceramics were exposed to oxygen-poor ($C_{O}\le2.2…
Understanding the strengthening and deformation mechanisms in refractory high-entropy alloys (HEAs), proposed as new high-temperature material, is required for improving their typically insufficient room-temperature ductility. Here,…
Nanolaminated materials are important because of their exceptional properties and wide range of applications. Here, we demonstrate a general approach to synthesize a series of Zn-based MAX phases and Cl-terminated MXenes originating from…
Ni/Al reactive multilayers are promising materials for applications requiring controlled local energy release and superior mechanical performance. This study systematically investigates the impact of compositional variations, ranging from…
Tungsten exhibits exceptional temperature and radiation resistance, making it well-suited for applications in extreme environments such as nuclear fusion reactors. Additive manufacturing offers geometrical design freedom and rapid…
In order to overcome the disadvantages of MgH2 towards its applications in on-board hydrogen storage, first principle calculations have been performed for Ti (2+, 3+, and 4+) substituted MgH2. Our calculated enthalpy of formation and H site…
Active room temperature diffusion-less climb of the <a> edge dislocations in model Mg-Al alloys was observed using molecular dynamics simulations. Dislocations on prismatic and pyramidal I planes climb through the basal plane to overcome…
The present study explores a cost-effective method for using activated ground granulated blast furnace slag (GGBFS) and silica fume (SF) as cement substitutes. Instead of activating them with expensive alkali solutions, the present study…
Molecular dynamics simulations show that coherent precipitates can significantly affect the properties of martensitic transformations in Ni$_{63}$Al$_{37}$ alloys. The precipitates, consisting of non-martensitic Ni$_{50}$Al$_{50}$, modify…
We have systemically studied the effects of annealing temperature and alloy composition on the structural and magnetic properties of bulk Ni$_{2}$MnGe and Ni$_{2.1}$Mn$_{0.9}$Ge Heusler alloys. We have observed that both annealing…
Reversible hydrogen uptake and the metal/dielectric transition make the Mg/MgH$_2$ system a prime candidate for solid state hydrogen storage and dynamic plasmonics. However, high dehydrogenation temperatures and slow dehydrogenation hamper…
Structural failure of concrete buildings on fire and complete destruction of the monolithic refractory lining during their drying stage are dangerous examples of the effect of explosive spalling on partially saturated porous media. Several…
The manufacturing of refractory-metals components presents some limitations induced by the materials characteristic low-temperature brittleness and high susceptibility to oxidation. Powder metallurgy is typically the manufacturing process…
Liquid crystals have emerged as potential candidates for next-generation lubricants due to their tendency to exhibit long-range ordering. Here, we construct a full atomistic model of 4-cyano-4-hexylbiphenyl (6CB) nematic liquid crystal…
Nanocrystalline ribbons of inverse Heusler alloy Mn2Ni1.6Sn0.4 have been synthesised by melt spinning of the arc melted bulk precursor. The single phase ribbons crystallize into a cubic structure and exhibit very fine crystallite size of <…
A complex rare-earth rich aluminoborosilicate glass has been proved to be a good candidate for the immobilization of new high level radioactive wastes. A simplified seven-oxides composition of this glass was selected for this study. In this…
Two new refractory amorphous high-entropy alloys (RAHEAs) within the W--Ta--Cr--V and W--Ta--Cr--V--Hf systems were herein synthesized using magnetron-sputtering and tested under high-temperature annealing and displacing irradiation using…