Local fiber alignment in fiber-reinforced thermoplastics is governed by complex flows during the molding process. As fiber-induced material anisotropy leads to non-homogeneous effective mechanical properties, accurate prediction of the final orientation state is critical for integrated structural simulations of these composites. In this work, a data-driven inverse modeling approach is proposed to improve the physics-based structural simulation of short glass fiber reinforced thermoplastics. The approach is divided into two steps: (1) optimization of the fiber orientation distribution (FOD) predicted by the Reduce Strain Closure (RSC) model, and (2) identification of the composite's mechanical properties used in the Ramberg-Osgood (RO) multiscale structural model. In both steps, the identification of the model's parameters was carried out using a Genetic Algorithm. Artificial Neural Networks were used as a machine learning-based surrogate model to approximate the simulation results locally and reduce the computational time. X-ray micro-computed tomography and tensile tests were used to acquire the FOD and mechanical data, respectively. The optimized parameters were then used to simulate a tensile test for a specimen injection molded in a dumbbell-shaped cavity selected as a case study for validation. The FOD prediction error was reduced by 51% using the RSC optimized coefficients if compared with the default coefficients of the RSC model. The proposed data-driven approach, which calculates both the RSC coefficients and the RO parameters by inverse modeling from experimental data, allowed improvement in the prediction accuracy by 43% for the elastic modulus and 59% for the tensile strength, compared with the non-optimized analysis.
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http://dx.doi.org/10.3390/ma15134720 | DOI Listing |
ACS Macro Lett
January 2025
Key Laboratory of Materials Chemistry for Energy Conversion and Storage, Ministry of Education, Hubei Key Laboratory of Materials Chemistry and Service Failure, Hubei Engineering Research Center for Biomaterials and Medical Protective Materials, State Key Laboratory of Materials Processing and Die & Mould Technology, School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074, China.
As a special kind of supramolecular compound with many favorable properties, pillar[]arene-based supramolecular polymer networks (SPNs) show potential application in many fields. Although we have come a long way using pillar[]arene to prepare SPNs and construct a series of smart materials, it remains a challenge to enhance the mechanical strength of pillar[]arene-based SPNs. To address this issue, a new supramolecular regulation strategy was developed, which could precisely control the preparation of pillar[]arene-based SPN materials with excellent mechanical properties by adjusting the polymer network structures.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Department of Physics, Rutgers University, Newark, New Jersey 07102, United States of America.
Graph Neural Networks (GNNs) have emerged as powerful tools for predicting material properties, yet they often struggle to capture many-body interactions and require extensive manual feature engineering. Here, we present EOSnet (Embedded Overlap Structures for Graph Neural Networks), a novel approach that addresses these limitations by incorporating Gaussian Overlap Matrix (GOM) fingerprints as node features within the GNN architecture. Unlike models that rely on explicit angular terms or human-engineered features, EOSnet efficiently encodes many-body interactions through orbital overlap matrices, providing a rotationally invariant and transferable representation of atomic environments.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
College of Computer Science and Technology, Xi'an University of Science and Technology, Xi'an 710054, China.
Soft and stretchable strain sensors are crucial for applications in human-machine interfaces, flexible robotics, and electronic skin. Among these, capacitive strain sensors are widely used and studied; however, they face challenges due to material and structural constraints, such as low baseline capacitance and susceptibility to external interference, which result in low signal-to-noise ratios and poor stability. To address these issues, we propose a U-shaped electrode flexible strain sensor based on liquid metal elastomer (LME).
View Article and Find Full Text PDFBiophys J
January 2025
Department of Physics, Northeastern University, Boston, MA, 02115, USA. Electronic address:
Binuclear ruthenium complexes have been investigated for potential DNA-targeted therapeutic and diagnostic applications. Studies of DNA threading intercalation, in which DNA base pairs must be broken for intercalation, have revealed means of optimizing a model binuclear ruthenium complex to obtain reversible DNA-ligand assemblies with the desired properties of high affinity and slow kinetics. Here, we used single-molecule force spectroscopy to study a binuclear ruthenium complex with a longer semi-rigid linker relative to the model complex.
View Article and Find Full Text PDFSensors (Basel)
January 2025
Department of Mechanical Engineering, Politecnico di Milano, Via Giuseppe La Masa 1, 20156 Milan, Italy.
Radiofrequency ablation (RFA) is a minimally invasive procedure that utilizes localized heat to treat tumors by inducing localized tissue thermal damage. The present study aimed to evaluate the temperature evolution and spatial distribution, ablation size, and reproducibility of ablation zones in ex vivo liver, kidney, and lung using a commercial device, i.e.
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