ArticleJournal of molecular modeling2026
Ab initio study of lattice thermal conductivity in layered borides M
Article in Journal of molecular modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Authors and funding
2 authors.
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Abstract
contextEfficient heat removal limits the performance of microelectronics, plasma-facing components, and high-temperature structures. Metals exhibit good thermal conductivity but weaken above approximately 1000 K, while ceramics are strong yet brittle. Ultrahigh-temperature M
methodsDensity functional theory (DFT) calculations were performed using VASP with a plane-wave energy cutoff of 700 eV and a 13 × 13 × 13 Monkhorst-Pack k-point mesh. Structural relaxations were carried out until the energy and force convergence criteria were below 1 × 10
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