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Noorbasha Bhavani Sai

Publications and source records attributed to Noorbasha Bhavani Sai.

2 recordsLinked to original sources

In-Situ TEM Observation of Solid-State Phase Evolution in High-Entropy Alloy Nanoparticles

The emergence of new materials has gone beyond conventional design principles. Among them are high entropy alloys (HEAs), in which multiple metallic elements coexist within a single unit cell. In this case, each atomic position in a solid material has a different chemical environment, leading to configurational entropy as high as that in the fully random or melted state, which has been frozen to a solid solution. However, the behaviour of such alloy systems at pre-melting temperatures is largely unknown, where atoms gain sufficient mobility and time to rearrange, leading to an enthalpic rather than an entropic interplay. This study demonstrated the phase transformation of HEA nanoclusters (CoCrFeMnNi) under high-resolution transmission electron microscopy (HRTEM) at different temperatures, including room temperature (RT), 550 °C, and 850 °C. The clustered nanoparticles coarsen into larger clusters, accompanied by compositional heterogeneity due to surface and lattice diffusion. This experimental finding of atomic mobility was further corroborated using molecular dynamics, which provides a detailed mechanistic description.

cond-mat.mtrl-sci↗

Composition-Driven High-Entropy Alloys with Enhanced Magnetocaloric Properties

High entropy alloys (HEAs) are promising magnetocaloric materials with tunable operating temperature conditions using compositional modifications. Here, we combine experiments and first principles based spin modelling to engineer magnetocaloric response in single-phase cubic HEAs consisting of earth-abundant elements such as Fe, Ni, Co, Cr, and Cu. An equiatomic (Fe20Ni20Co20Cr20Cu20) and a Fe and Co rich non equiatomic (Fe34Ni17.7Co24.8Cr15.2Cu8.3) show a continuous ferromagnetic to paramagnetic transition with Curie temperature (TC)=110 K and TC=420 K for non equiatomic. Under the 1.6 Tesla magnetic field, the investigated alloy shows the entropy change =1.24 J per kgK with relative cooling power (RCP) =92 J per kg due to a broader effective cooling span. Density functional theory simulations reveal that reducing Cu enhances the spin-polarized Fe, Co, or Ni, 3d weight near fermi level, consistent with stronger ferromagnetic exchange. Exchange couplings mapped onto a classical Heisenberg model and solved by atomistic Monte Carlo to theoretically predict TC of both the investigated alloys. A controlled theoretical Cu sweep in equimolar further confirms that increasing Cu monotonically dilutes the magnetic sublattice and lowers TC, providing a quantitative design guideline to tune magnetocaloric operating temperatures in transition metal HEAs.

cond-mat.mtrl-sci↗