Which alloy composition,what process parameters? Inferring the recipe from optimized metallic microstructure and texture

Designing 3D metamaterial microstructures that meet the intended functions remains a major challenge, as it typically requires domain expertise, iterative simulations, and extensive manual tuning. Existing work on inverse design that automatically generates microstructures based on desired target properties often suffers from limited design diversity and faces challenges in ensuring the physical feasibility of the generated structures. To address this issue, a property-informed diffusion-based network is proposed that enables the generation of 3D microstructures directly from textual descriptions. Unlike traditional property conditioning methods, our approach leverages rich guidance in terms of semantics and physical properties in the text input to support diverse structure synthesis. To enforce consistency between the generated structures and the target textual prompts, a dual alignment strategy is adopted, including contrastive text-structure alignment and test-time reward-guided alignment. Experimental results show that the model is capable of generating semantically meaningful and physically plausible structures across a wide range of material categories. Our approach has good potential for interactive microstructure design and opens up new directions for combining language-based interfaces with inverse material discovery. Code is available at: https://github.com/hongsong-wang/PropDiff-TMG

Here is the plain text version optimized for arXiv's submission form. Custom macros (like \CV and \SI) have been converted to standard text/math so they render correctly on the webpage: Evaluating the fatigue life of structural steels conventionally requires mechanical testing lasting tens to hundreds of hours, making it impractical for rapid quality control. We present CV, a computer vision framework that estimates the fatigue life ($\log N_f$) of lightweight alloy steels directly from optical micrographs without physical testing.The pipeline features a seven-stage OpenCV preprocessing routine to remove artifacts, a 28-dimensional physics-informed feature extractor (quantifying crack morphology, grain structure, porosity, and texture), and a CNN regression model trained with a Gaussian negative log-likelihood (GNLL) loss to jointly predict $\log N_f$ and sample-specific uncertainty $\hatσ$.Evaluating three architectures (SE-CNN, ResNet-50, VGG-16) on a synthetic micrograph benchmark, ResNet-50 achieves $R^2 = 0.93$, RMSE = 0.18 log-cycles, and macro-F1 = 0.91. The GNLL objective reduces Expected Calibration Error by 76% compared to a mean-squared-error baseline (ECE: $0.089 \rightarrow 0.021$). Grad-CAM maps confirm the network attends to metallurgically meaningful microstructural features.Running in under 65 ms per image, the pipeline and synthetic dataset generator are open-sourced. Because validation relies entirely on synthetic micrographs, these results demonstrate methodological soundness under simulated conditions; a domain-transfer study on real field samples is the immediate next step.

Data-driven surrogate models are an alternative to numerical homogenization of heterogeneous materials. In this contribution, a supervised learning approach is presented for predicting effective Lamé parameters of hyperelastic composites from low-dimensional microstructural descriptors. The data set is based on previously published numerical homogenization results for ensembles of two-phase stochastic microstructures generated by planar Boolean models, covering variations of inclusion shape, phase contrast, and area fraction; see Brändel, Brands, Maike, Rheinbach, Schröder, Schwarz and Stoyan (2022). A neural network is trained on combinations of scalar and curve-valued statistical descriptors, including the area fraction, a derived scalar shape descriptor $τ$, the two-point correlation function $S_2(r)$, and the lineal-path function $\ell(z)$. Additional data representing limiting cases of the parameter space are incorporated to stabilize training and improve extrapolation behavior. The surrogate is evaluated by leave-one-grain-type-out cross-validation in order to assess generalization to unseen grain geometries. Numerical results demonstrate that additional descriptors can reduce relative errors. A predictor trained with $τ$ and $S_2(r)$ provides a compact representation with good quantitative accuracy and regular dense response behavior. Adding the lineal-path function $\ell(z)$ further reduces the error at the available data points, indicating that it is a promising additional descriptor; however, dense post-training response evaluations show that improved pointwise accuracy does not automatically guarantee physically admissible behavior between sampled parameter values. This motivates future work on physically constrained surrogate models, loss formulations, bounded output parametrizations, and a more systematic representation of curve-valued geometric descriptors.