528 research outputs found

    Undergraduate Catalog of Studies, 2023-2024

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    Undergraduate Catalog of Studies, 2023-2024

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    AI-based design methodologies for hot form quench (HFQĀ®)

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    This thesis aims to develop advanced design methodologies that fully exploit the capabilities of the Hot Form Quench (HFQĀ®) stamping process in stamping complex geometric features in high-strength aluminium alloy structural components. While previous research has focused on material models for FE simulations, these simulations are not suitable for early-phase design due to their high computational cost and expertise requirements. This project has two main objectives: first, to develop design guidelines for the early-stage design phase; and second, to create a machine learning-based platform that can optimise 3D geometries under hot stamping constraints, for both early and late-stage design. With these methodologies, the aim is to facilitate the incorporation of HFQ capabilities into component geometry design, enabling the full realisation of its benefits. To achieve the objectives of this project, two main efforts were undertaken. Firstly, the analysis of aluminium alloys for stamping deep corners was simplified by identifying the effects of corner geometry and material characteristics on post-form thinning distribution. New equation sets were proposed to model trends and design maps were created to guide component design at early stages. Secondly, a platform was developed to optimise 3D geometries for stamping, using deep learning technologies to incorporate manufacturing capabilities. This platform combined two neural networks: a geometry generator based on Signed Distance Functions (SDFs), and an image-based manufacturability surrogate model. The platform used gradient-based techniques to update the inputs to the geometry generator based on the surrogate model's manufacturability information. The effectiveness of the platform was demonstrated on two geometry classes, Corners and Bulkheads, with five case studies conducted to optimise under post-stamped thinning constraints. Results showed that the platform allowed for free morphing of complex geometries, leading to significant improvements in component quality. The research outcomes represent a significant contribution to the field of technologically advanced manufacturing methods and offer promising avenues for future research. The developed methodologies provide practical solutions for designers to identify optimal component geometries, ensuring manufacturing feasibility and reducing design development time and costs. The potential applications of these methodologies extend to real-world industrial settings and can significantly contribute to the continued advancement of the manufacturing sector.Open Acces

    20th SC@RUG 2023 proceedings 2022-2023

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    Computational Approaches to Drug Profiling and Drug-Protein Interactions

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    Despite substantial increases in R&D spending within the pharmaceutical industry, denovo drug design has become a time-consuming endeavour. High attrition rates led to a long period of stagnation in drug approvals. Due to the extreme costs associated with introducing a drug to the market, locating and understanding the reasons for clinical failure is key to future productivity. As part of this PhD, three main contributions were made in this respect. First, the web platform, LigNFam enables users to interactively explore similarity relationships between ā€˜drug likeā€™ molecules and the proteins they bind. Secondly, two deep-learning-based binding site comparison tools were developed, competing with the state-of-the-art over benchmark datasets. The models have the ability to predict offtarget interactions and potential candidates for target-based drug repurposing. Finally, the open-source ScaffoldGraph software was presented for the analysis of hierarchical scaffold relationships and has already been used in multiple projects, including integration into a virtual screening pipeline to increase the tractability of ultra-large screening experiments. Together, and with existing tools, the contributions made will aid in the understanding of drug-protein relationships, particularly in the fields of off-target prediction and drug repurposing, helping to design better drugs faster

    Beam scanning by liquid-crystal biasing in a modified SIW structure

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    A fixed-frequency beam-scanning 1D antenna based on Liquid Crystals (LCs) is designed for application in 2D scanning with lateral alignment. The 2D array environment imposes full decoupling of adjacent 1D antennas, which often conflicts with the LC requirement of DC biasing: the proposed design accommodates both. The LC medium is placed inside a Substrate Integrated Waveguide (SIW) modified to work as a Groove Gap Waveguide, with radiating slots etched on the upper broad wall, that radiates as a Leaky-Wave Antenna (LWA). This allows effective application of the DC bias voltage needed for tuning the LCs. At the same time, the RF field remains laterally confined, enabling the possibility to lay several antennas in parallel and achieve 2D beam scanning. The design is validated by simulation employing the actual properties of a commercial LC medium

    Data-driven deep-learning methods for the accelerated simulation of Eulerian fluid dynamics

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    Deep-learning (DL) methods for the fast inference of the temporal evolution of ļ¬‚uid-dynamics systems, based on the previous recognition of features underlying large sets of ļ¬‚uid-dynamics data, have been studied. Speciļ¬cally, models based on convolution neural networks (CNNs) and graph neural networks (GNNs) were proposed and discussed. A U-Net, a popular fully-convolutional architecture, was trained to infer wave dynamics on liquid surfaces surrounded by walls, given as input the system state at previous time-points. A term for penalising the error of the spatial derivatives was added to the loss function, which resulted in a suppression of spurious oscillations and a more accurate location and length of the predicted wavefronts. This model proved to accurately generalise to complex wall geometries not seen during training. As opposed to the image data-structures processed by CNNs, graphs oļ¬€er higher freedom on how data is organised and processed. This motivated the use of graphs to represent the state of ļ¬‚uid-dynamic systems discretised by unstructured sets of nodes, and GNNs to process such graphs. Graphs have enabled more accurate representations of curvilinear geometries and higher resolution placement exclusively in areas where physics is more challenging to resolve. Two novel GNN architectures were designed for ļ¬‚uid-dynamics inference: the MuS-GNN, a multi-scale GNN, and the REMuS-GNN, a rotation-equivariant multi-scale GNN. Both architectures work by repeatedly passing messages from each node to its nearest nodes in the graph. Additionally, lower-resolutions graphs, with a reduced number of nodes, are deļ¬ned from the original graph, and messages are also passed from ļ¬ner to coarser graphs and vice-versa. The low-resolution graphs allowed for eļ¬ƒciently capturing physics encompassing a range of lengthscales. Advection and ļ¬‚uid ļ¬‚ow, modelled by the incompressible Navier-Stokes equations, were the two types of problems used to assess the proposed GNNs. Whereas a single-scale GNN was suļ¬ƒcient to achieve high generalisation accuracy in advection simulations, ļ¬‚ow simulation highly beneļ¬ted from an increasing number of low-resolution graphs. The generalisation and long-term accuracy of these simulations were further improved by the REMuS-GNN architecture, which processes the system state independently of the orientation of the coordinate system thanks to a rotation-invariant representation and carefully designed components. To the best of the authorā€™s knowledge, the REMuS-GNN architecture was the ļ¬rst rotation-equivariant and multi-scale GNN. The simulations were accelerated between one (in a CPU) and three (in a GPU) orders of magnitude with respect to a CPU-based numerical solver. Additionally, the parallelisation of multi-scale GNNs resulted in a close-to-linear speedup with the number of CPU cores or GPUs.Open Acces

    20th SC@RUG 2023 proceedings 2022-2023

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