The High Explosives and Affected Targets (HEAT) Dataset

This paper describes the first-ever open-source high-fidelity CFD dataset of a high-lift aircraft for the purpose of AI surrogate model development. The dataset is composed of 1800 samples, arising from 180 geometry variants and 10 angles of attack for the high-lift NASA Common Research Model (CRM) geometry, used within the AIAA High-Lift Prediction Workshop series. One of the novelties of this dataset is the use of a GPU-accelerated high-fidelity explicit, wall-modeled LES approach for each simulation, using solution-adapted grids between 300M and 500M cells. This ensures the greatest possible accuracy given known challenges in steady-state RANS approaches for these portions of the flight envelope. The entire dataset (geometries, time-averaged volume and surface variables and integral forces) are available, free of charge with a permissive open-source license (CC-BY-4.0). By making this data publicly available, we aim to accelerate the research and development of AI surrogate modeling within the aerospace industry.

Data-driven modeling is becoming central to multiphase transport, electronics cooling, acoustic diagnostics, and thermal-fluid digital twins, but progress is limited by fragmented datasets and raw instrument files that are difficult to decode, reuse, or benchmark. This paper presents an open ecosystem of multimodal datasets and open-source software packages developed by the Nano Energy and Data-Driven Discovery (NED3) Laboratory for reproducible AI-enabled thermal-fluid research. We introduce a spatial-plus-temporal dimensionality framework, denoted S+TD, to classify datasets by the dimensionality of measured or simulated fields, including 0+0D point values, 0+1D time series, 1+0D profiles, 2+0D images, 2+1D videos, 3+0D volumetric fields, and multimodal combinations. We organize public NED3 datasets spanning boiling images, acoustic and thermal measurements, high-speed videos, infrared thermography, thermal-resistance measurements, CFD-generated fields, design files, and acoustic-emission data. We also describe complementary software packages, including BubbleID, SeqReg, CFDTwin, IRISApp, decode-wfs, AELab, and FlowLab, which support computer vision, sequence regression, surrogate modeling, infrared analysis, waveform decoding, acoustic-emission analysis, and multimodal diagnostics. Particular emphasis is placed on SeqReg, a general sequence-regression library for 0+1D, 1+1D, and 2+1D data, with applications such as nonintrusive heat-flux estimation. Finally, we discuss future community efforts to build interoperable thermal-fluid databanks and curated AI/ML tool libraries that connect datasets, metadata, decoders, baselines, benchmarks, and physically interpretable models.

Compressible multiphase flows involving shocks and material interfaces arise in applications such as bubble collapse and droplet breakup, where strong nonlinear interactions produce complex interface deformation, mixing, and multiscale dynamics. Developing reliable machine learning surrogates for these flows remains challenging due to the simultaneous presence of compressibility, sharp discontinuities, and multiphase effects. In this work, we introduce the first large-scale benchmark specifically designed for shock-driven compressible multiphase flows, comprising 2.4 TB of high-fidelity 2D and 3D datasets featuring shock-induced bubble collapse and droplet breakup. We evaluate diverse surrogate model families on our benchmarking framework: Neptuna {https://github.com/tumaer/Neptuna}, including convolutional, spectral, transformer-based, and pre-trained PDE foundation models. Beyond standard MSE training, we investigate composite losses combining MSE with Sobolev, interface-aware, and structure-aware terms, together with adaptive loss balancing using SoftAdapt and GradNorm. Evaluation includes pointwise, spectral, feature-focused, structural, and physics-informed metrics. Results show that no single model performs best across all datasets and metrics, while composite losses significantly improve interface preservation and spectral fidelity. Among adaptive weighting strategies, SoftAdapt provides the most consistent improvements with almost no overhead compared to MSE-only training.