构建可端到端优化的太阳能电池数字孪生,实现全链路性能预测与提升。
Towards a fully differentiable digital twin for solar cells
- 从材料参数到地理气候,全程可微分建模,支持梯度优化。
- 在有机太阳能电池上验证,显著拓展了未探索工况下的能量产出预测能力。
- 适合光伏研发人员进行定制化器件设计与性能优化。
最大化太阳能电池在特定地点一年内的总发电量(能量产出,EY)对光伏技术至关重要,尤其对于新兴技术而言。计算方法为未来研究提供必要洞见与指导,但现有模拟通常仅关注太阳能电池的孤立方面。这种不一致性凸显了建立统一多尺度计算框架的迫切需求,以实现从材料到器件性能的准确预测与优化。为此,本文提出一个可微分的数字孪生框架——Sol(Di)²T,实现太阳能电池的全流程端到端优化。工作流从材料属性和形貌制备参数开始,经光学与电学仿真,最终结合气候条件与地理位置预测能量产出。每一步均具备内在可微性或由机器学习代理模型替代,不仅实现高精度能量产出预测,还支持对输入参数的梯度优化。由此,Sol(Di)²T将能量产出预测扩展至此前未探索的工况。在有机太阳能电池上的实证表明,该框架为针对特定应用定制太阳能电池并确保最优性能迈出关键一步。
原文摘要 · Abstract (English)
Maximizing energy yield (EY) - the total electric energy generated by a solar cell within a year at a specific location - is crucial in photovoltaics (PV), especially for emerging technologies. Computational methods provide the necessary insights and guidance for future research. However, existing simulations typically focus on only isolated aspects of solar cells. This lack of consistency highlights the need for a framework unifying all computational levels, from material to cell properties, for accurate prediction and optimization of EY prediction. To address this challenge, a differentiable digital twin, Sol(Di)$^2$T, is introduced to enable comprehensive end-to-end optimization of solar cells. The workflow starts with material properties and morphological processing parameters, followed by optical and electrical simulations. Finally, climatic conditions and geographic location are incorporated to predict the EY. Each step is either intrinsically differentiable or replaced with a machine-learned surrogate model, enabling not only accurate EY prediction but also gradient-based optimization with respect to input parameters. Consequently, Sol(Di)$^2$T extends EY predictions to previously unexplored conditions. Demonstrated for an organic solar cell, the proposed framework marks a significant step towards tailoring solar cells for specific applications while ensuring maximal performance.
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