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Physical Sciences and Mathematics

Louisiana State University

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Molecular dynamics

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Diffusional Fractionation Of Helium Isotopes In Silicate Melts, Haiyang Luo, Bijaya Karki, Dipta B. Ghosh, Huiming Bao Oct 2021

Diffusional Fractionation Of Helium Isotopes In Silicate Melts, Haiyang Luo, Bijaya Karki, Dipta B. Ghosh, Huiming Bao

Faculty Publications

Estimating Helium (He) concentration and isotope composition of the mantle requires quantifying He loss during magma degassing. The knowledge of diffusional He isotope fractionation in silicate melts may be essential to constrain the He loss. Isotopic mass dependence of He diffusion can be empirically expressed as D3He/D4He = (4/3)^β, where D is the diffusivity of a He isotope. However, no studies have reported any β values for He in silicate melts due to technical challenges in both experiments and computations. Here, molecular dynamics simulations based on deep neural network potentials trained by ab initio data …