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    Multiscale modeling of metal-hydride interphases—quantification of decoupled chemo-mechanical energies by Ebert Alvares, Kai Sellschopp, Bo Wang, ShinYoung Kang, Thomas Klassen, Brandon C. Wood, Tae Wook Heo, Paul Jerabek, Claudio Pistidda

    Published 2024-10-01
    “…Abstract The quantification of interphase properties between metals and their corresponding hydrides is crucial for modeling the thermodynamics and kinetics of the hydrogenation processes in solid-state hydrogen storage materials. In particular, interphase boundary energies assume a pivotal role in determining the kinetics of nucleation, growth, and coarsening of hydrides, alongside accompanying morphological evolution during hydrogenation. …”
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    Electric current-induced directional slip of dislocation and grain boundary ordering by Dongsheng Qian, Jiancheng Chen, Hao Luo, Feng Wang, Lin Hua

    Published 2024-12-01
    “…The evolution of lattice dislocations in metals can be induced by electric current. …”
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    Multidimensional coherent spectroscopy of correlated lattice systems by Jiyu Chen, Philipp Werner

    Published 2025-05-01
    “…We also show that this technique allows to extract detailed information on the nature and evolution of photo-excited nonequilibrium states.…”
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    Capturing short-range order in high-entropy alloys with machine learning potentials by Yifan Cao, Killian Sheriff, Rodrigo Freitas

    Published 2025-08-01
    “…It is demonstrated that energy accuracy on test sets often does not correlate with accuracy in capturing material properties, which is fundamental in enabling large-scale atomistic simulations of metallic alloys with high physical fidelity. …”
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