6 papers
A Large-Scale Dataset for Molecular Structure-Language Description via a Rule-Regularized Method
Feiyang Cai, Guijuan He, Yi Hu +7
Molecular function is largely determined by structure. Accurately aligning molecular structure with natural language is therefore essential for enabling large language models (LLMs…
Multi-fidelity surrogates for mechanics of composites: from co-kriging to multi-fidelity neural networks
Haizhou Wen, Elham Kiyani, Gang Li +3
Composite materials exhibit strongly hierarchical and anisotropic properties governed by coupled mechanisms spanning constituents, plies, laminates, structures, and manufacturing h…
Probabilistic Predictions of Process-Induced Deformation in Carbon/Epoxy Composites Using a Deep Operator Network
Elham Kiyani, Amit Makarand Deshpande, Madhura Limaye +7
Fiber reinforcement and polymer matrix respond differently to manufacturing conditions due to mismatch in coefficient of thermal expansion and matrix shrinkage during curing of the…
Uncertainty Analysis of Experimental Parameters for Reducing Warpage in Injection Molding
Yezhuo Li, Fan Zhang, Dhanashree Shinde +4
Injection molding is a critical manufacturing process, but controlling warpage remains a major challenge due to complex thermomechanical interactions. Simulation-based optimization…
ChemFM as a Scaling Law Guided Foundation Model Pre-trained on Informative Chemicals
Feiyang Cai, Katelin Zacour, Tianyu Zhu +6
Traditional AI methods often rely on task-specific model designs and training, which constrain both the scalability of model size and generalization across different tasks. Here, w…
Physically Constrained 3D Diffusion for Inverse Design of Fiber-reinforced Polymer Composite Materials
Pei Xu, Yunpeng Wu, Srikanth Pilla +2
Designing fiber-reinforced polymer composites (FRPCs) with a tailored nonlinear stress-strain response can enable innovative applications across various industries. Currently, no e…