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This research aims to understand the atomic-level mechanisms involved in ultrafast melting of polycrystalline palladium.

February 2, 2026Open Access

Atomic dynamics and local structural disorder during ultrafast melting of polycrystalline Pd

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This research aims to understand the atomic-level mechanisms involved in ultrafast melting of polycrystalline palladium.
Utilized molecular dynamics simulations to observe atomic behavior during melting.
Measured atomic dynamics using root-mean-squared displacement (RMSD).
Characterized local structural disorder by analyzing deviation from centrosymmetry.
Investigated melting dynamics at both crystal bulk and grain boundaries.
Increased RMSD and local disorder observed prior to melting in the crystal bulk.
A discontinuous rise in disorder correlates with the concentration of lattice defects near the Lindemann limit.
Rapid atomic displacement signals flow during the melting process.
Continuous displacement and disorder increase seen in grain boundaries, akin to a glass transition.

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Molecular dynamics simulations reveal melting dynamics in polycrystalline Pd, indicating atomic flow characteristics.

Olczak et al. (2025) studied this question.

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