用快速模型预测孔隙流场,加速材料设计与验证。
A Query-Time Framework for Transient 2D Pore-Scale Flow Prediction and Generative Design

- 构建连续时间流场代理模型,结合几何编码与时间条件控制。
- 新模型在未见结构上速度误差仅0.2248,渗透率误差12.81%。
- 可用于快速筛选9216种生成设计,适合材料逆向设计研究者。
孔隙尺度流动决定多孔介质工程中的传质与渗透行为,但针对多种几何结构和设计查询重复运行格子玻尔兹曼方法(LBM)成本高昂。本研究将瞬态孔隙尺度流动预测建模为几何条件的查询时操作,提出包含7,606个二维多孔结构及其各自30个对数采样的LBM状态的基准数据集QSGS-Transient-7606。所提出的连续时间孔隙流场代理模型(CT-PoreFlow)融合拓扑感知几何编码、压缩谱混合与对数时间条件,并采用晚期通量校准目标。在未见测试几何结构上,该模型实现速度相对L2误差0.2248,终端渗透率误差12.81%。冻结形态与断层扫描图像审计表明其无需微调即具跨几何鲁棒性。该代理模型嵌入逆向设计流程,在18项性能目标下筛选9,216个生成对抗网络与扩散模型候选方案,经LBM验证后,受引导的GAN采样达到98.11%连通性与72.28%条件设计成功率,优于基于扩散的方法。该框架统一了瞬态流动预测、传输感知筛选与LBM验证的逆向设计流程。
原文摘要 · Abstract (English)
Pore-scale flow governs transport and permeability behaviour in porous media engineering applications, yet repeated lattice Boltzmann method (LBM) simulation across many geometries and design queries remains costly for repeated deployment. This study formulates transient pore-scale flow prediction as a geometry-conditioned query-time operator and introduces QSGS-Transient-7606, a benchmark of 7,606 two-dimensional porous structures each paired with 30 logarithmically sampled LBM states. The proposed continuous-time pore-scale flow surrogate model (CT-PoreFlow) integrates topology-aware geometry encoding, compressed spectral mixing, and log-time conditioning with a late-time flux-calibration objective. On unseen test geometries, CT-PoreFlow achieves a velocity relative L2 of 0.2248 and a terminal permeability error of 12.81%. Frozen morphology and computed tomography image audits confirm reasonable cross-geometry robustness without fine-tuning. The surrogate is then embedded in an inverse design workflow, screening 9,216 generative adversarial network and diffusion candidates across 18 property targets prior to LBM verification. Guided GAN sampling attains 98.11% through-connectivity and 72.28% conditional design success, exceeding diffusion-based generation. The framework unifies transient flow prediction, transport-aware screening, and LBM-verified inverse design for porous media.
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