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Ta2Pd3Te8: A potential candidate of 1D van der Waals stacked thermoelectric materials
Shi Chen, Aijun Hong, Junming Liu
https://arxiv.org/abs/2508.05549 https://

Ta2Pd3Te8: A potential candidate of 1D van der Waals stacked thermoelectric materials
Discovering new thermoelectric (TE) materials is an eternal goal in the TE field. Excellent TE materials have ranged from 3D stacked to 2D stacked bulk. However, the 1D stacked receives little attention due to the scarcity in quantity. In this work, it is predicted that 1D van der Waals (vdW) stacked Ta2Pd3Te8 crystal is a compelling candidate for TE applications by combining first-principles calculations with phonon and electron Boltzmann transport equations and molecular dynamics methods. We …

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Exploring the Capabilities of the Frontier Large Language Models for Nuclear Energy Research
Ahmed Almeldein, Mohammed Alnaggar, Rick Archibald, Tom Beck, Arpan Biswas, Rike Bostelmann, Wes Brewer, Chris Bryan, Christopher Calle, Cihangir Celik, Rajni Chahal, Jong Youl Choi, Arindam Chowdhury, Mark Cianciosa, Franklin Curtis, Gregory Davidson, Sebastian De Pascuale, Lisa Fassino, Ana Gainaru, Yashika Ghai, Luke Gibson, Qian Gong, Christopher Greulich, Scott Greenwood, Cory Hauck, Ehab …

Exploring the Capabilities of the Frontier Large Language Models for Nuclear Energy Research
The AI for Nuclear Energy workshop at Oak Ridge National Laboratory evaluated the potential of Large Language Models (LLMs) to accelerate fusion and fission research. Fourteen interdisciplinary teams explored diverse nuclear science challenges using ChatGPT, Gemini, Claude, and other AI models over a single day. Applications ranged from developing foundation models for fusion reactor control to automating Monte Carlo simulations, predicting material degradation, and designing experimental progr…