At the Nexus of Modelling and XFEL Experimental Design to Study Diffusion at Warm Dense Conditions
ORAL
Abstract
We present results of modelling of diffusive interface broadening between diffusion couple materials in plasma generated in x-ray free electron laser (XFEL) experiments. This numerical study has spanned a range of T from 1 eV up to 50 eV.
For the experimental design we have used existing interdiffusion models relevant to warm dense matter conditions and explore all possible pair of materials. From this analysis we have identified Ti/Ni and Mo/La for which the XFEL delay time is largest. For these cases we directly simulate the relevant experiments using a fully atomistic approach at the actual length and time scales. The motion of ions is simulated via the screened Coulomb potential based on a Thomas-Fermi-Poisson description of the electrons. Different Average Atom models are explored for the screening coefficient and the Zbar. The simulation results will be used to compare to the experiment and to improve upon existing theories as well as to test our atomistic model.
* This work was performed under the auspices of the US Dept. of Energy by Lawrence Livermore National Security, LLC under Contract DE-AC52-07NA27344.
For the experimental design we have used existing interdiffusion models relevant to warm dense matter conditions and explore all possible pair of materials. From this analysis we have identified Ti/Ni and Mo/La for which the XFEL delay time is largest. For these cases we directly simulate the relevant experiments using a fully atomistic approach at the actual length and time scales. The motion of ions is simulated via the screened Coulomb potential based on a Thomas-Fermi-Poisson description of the electrons. Different Average Atom models are explored for the screening coefficient and the Zbar. The simulation results will be used to compare to the experiment and to improve upon existing theories as well as to test our atomistic model.
* This work was performed under the auspices of the US Dept. of Energy by Lawrence Livermore National Security, LLC under Contract DE-AC52-07NA27344.
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Presenters
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Tomorr Haxhimali
Lawrence Livermore Natl Lab
Authors
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Tomorr Haxhimali
Lawrence Livermore Natl Lab
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Robert E Rudd
Lawrence Livermore Natl Lab
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James N Glosli
Lawrence Livermore National Laboratory
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Michael P Surh
Lawrence Livermore National Laboratory
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Catherine Burcklen
Lawrence Livermore National Laboratory
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Stefan P Hau-Riege
Lawrence Livermore Natl Lab