activity
20232026
most citedMachine learning interatomic potential for predicting the thermal properties of uranium nitride

6 citations · 11 across the 8 of their papers we have counts for

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8 papers · 1 filter

cond-mat.mtrl-sci2026

Xe gas bubble re-solution in U-10Mo nuclear fuel

ATM Jahid Hasan, Linu Malakkal, Mathew Swisher +1

The U.S. High-Performance Research Reactor program aims to convert high-power research reactors from highly enriched uranium to low-enriched uranium using a monolithic U-10Mo fuel…

cond-mat.mtrl-sci2025

Lattice anharmonicity effects in fluorite oxide single crystals and anomalous increase in phonon lifetime in ceria at elevated temperature

Amey Khanolkar, Saqeeb Adnan, Md Minaruzzaman +6

We investigate the temperature dependence of the frequency and linewidth of the triply-degenerate T zone-centered optical phonon in flux-grown ceria and hydrothermally-synth…

cond-mat.mtrl-sci2025

Engineering Phonons in Compositionally Complex Carbide Ceramics

Linu Malakkal, Jarin C French, Lanh Trinh +6

In the pursuit of advanced ceramic materials with exceptional irradiation-resistance and high-temperature tolerance for nuclear applications, compositionally complex carbides (CCCs…

cond-mat.mtrl-sci2025★ 6 cited

Machine learning interatomic potential for predicting the thermal properties of uranium nitride

Beihan Chen, Zilong Hua, Jennifer K. Watkins +4

We present a combined computational and experimental investigation of the thermal properties of uranium nitride (UN), focusing on the development of a machine learning interatomic…

cond-mat.mtrl-sci2024

Experimental Confirmation of First-Principles Thermal Conductivity in Zirconium-Doped ThO

Ella Kartika Pek, Zilong Hua, Amey Khanolkar +7

The degradation of thermal conductivity in advanced nuclear fuels due to the accumulation of fission products and irradiation-induced defects is inevitable, and must be considered…

cond-mat.mtrl-sci2024

Xenon-metal pair formation in UO2 investigated using DFT+U

Linu Malakkal, Shuxiang Zhou, Himani Mishra +4

A recent experimental study on a spent uranium dioxide (UO2) fuel sample from Belgium Reactor 3 (BR3) identified a unique pair structure formed by the noble metal phase (NMP) and f…

cond-mat.mtrl-sci2024★ 4 cited

Phonon modal analysis of thermal transport in ThO2 with point defects using equilibrium molecular dynamics

Beihan Chen, Linu Malakkal, Marat Khafizov +2

Defects can significantly degrade the thermal conductivity of ThO2, an advanced nuclear fuel material as well as a surrogate for other fluorite-structured materials. We investigate…

cond-mat.mtrl-sci2023★ 1 cited

First-principles determination of the phonon-point defect scattering and thermal transport due to fission products in ThO2

Linu Malakkal, Ankita Katre, Shuxiang Zhou +4

This work presents the first principles calculations of the lattice thermal conductivity degradation due to point defects in thorium dioxide using an alternative solution of the Pi…