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Louisiana State University

Geochemistry

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Full-Text Articles in Physical Sciences and Mathematics

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 …


Computer Simulations Of Diffusional Isotope Effects And Dynamical Properties Of Silicate Melts, Haiyang Luo Jul 2021

Computer Simulations Of Diffusional Isotope Effects And Dynamical Properties Of Silicate Melts, Haiyang Luo

LSU Doctoral Dissertations

Silicate melts have served as transport agents in the chemical and thermal evolution of Earth. Diffusional isotope effect in silicate melts is the key to interpret isotope variations in lots of geological samples. Isotopic mass dependence of diffusion is commonly expressed as (Di/Dj)=(mj/mi)^β, where Di and Dj are diffusion coefficients of two isotopes whose masses are mi and mj. However, how the dimensionless empirical parameter β depends on temperature, pressure, and composition remains poorly constrained. Viscosity and electrical conductivity are two fundamental dynamical properties of silicate melts needed to constrain melt distribution in Earth's interior but remain unclear for most …