arXiv subjects

Anirudh Hari

Publications and source records attributed to Anirudh Hari.

3 recordsLinked to original sources

arXiv2025

Phase transitions of eutectic high entropy alloy AlCoCrFeNi2.1 under shock compression

High entropy alloys (HEAs) are a new class of metals that exhibit unique mechanical performance. Among HEAs, additively manufactured eutectic high entropy alloys (AM-EHEAs) have recently emerged as candidate materials for use in extreme conditions due to their simultaneous high strength and ductility. However, the deformation and structural evolution of AM-EHEAs under conditions of high pressure have not been well characterized, limiting their use in extreme applications. We present dynamic compression experiments and molecular dynamics simulations studying the structural evolution of AM-EHEA AlCoCrFeNi2.1 when compressed to pressures up to 400 GPa. Our in-situ X-ray diffraction measurements capture the appearance of fcc and bcc phases at different pressure conditions, with pure- and mixed-phase regions. Understanding the phase stability and structural evolution of the AM EHEA offers new insights to guide the development of high-performance complex materials for extreme conditions.

cond-mat.mtrl-sci↗

arXiv2025

Pushing the limits of flow strength in diamond

Extreme pressures and temperatures create conditions that allow even hard and brittle materials to deform plastically. Despite extensive research, the upper limits of flow strength, the resistance to plastic flow, remain uncertain, and the mechanisms driving deformation at the relevant stresses are a subject of debate. Using femtosecond in situ X-ray diffraction experiments and large-scale molecular dynamics simulations, we demonstrate that stacking fault-mediated strengthening enables shock-compressed nano-polycrystalline diamond to achieve a peak flow strength of 107+-5 GPa at a stress of 227+-8 GPa. Our findings show that extreme conditions can unlock unusual strength via mechanisms that can be used as design tools in targeted applications.

cond-mat.mtrl-sci↗

arXiv2025

A Piezoelectric Molecular Cocrystal with Unconventional $π$-Stacking

We demonstrate the crystallization of a polar octafluoronaphthalene (OFN, \OFN)--phthalazine (Phth, \Phth) cocrystal, formed in a 1:2 ratio by slow evaporation. The crystal structure and vibrational properties of the cocrystal were determined using powder/single-crystal X-ray diffraction (XRD) and Fourier-Transform Infrared (FTIR) spectroscopy, and confirmed with density functional theory (DFT) and density functional perturbation theory (DFPT) calculations. The molecular $π$-stacking of aromatic rings is unconventional compared with other arene--perfluoroarene cocrystals. Phth molecules are offset and misaligned with respect to the major axis of OFN due to electrostatic repulsion between N and F atoms, enabling overall electric polarization attributed to the dipole moment of Phth. Our calculations show that OFN:2Phth is an insulator with a band gap of $\sim$2.4 eV. The electric polarization was calculated to be 7.1 \muC, while the shear piezoelectric coefficient ($d_{34}$) may be as large as 11.4 pC N$^{-1}$.

cond-mat.mtrl-sci↗