25 papers · ranked by Valyu relevance
Yi Zhong, Xue-tao Jiang, Yong Yang, Ben-lian Xu + 3 more
'Lei Wang' 'Xin-feng Dong'] Structural topology optimization has gained widespread attention due to more possibilities of innovative structural design. The current research focus/hotspots, application areas, main research scholars, institutions and the countries involved in structural topology optimization are visually…
Gaoyuan Wu
Shape optimization is of great significance in structural engineering, as an efficient geometry leads to better performance of structures. However, the application of gradient-based shape optimization for structural and architectural design is limited, which is partly due to the difficulty and the complexity in…
Keith J. Lee, Yijiang Huang, Caitlin Mueller
design optimization Authors: ['Keith J. Lee' 'Yijiang Huang' 'Caitlin Mueller'] Fast, gradient-based structural optimization has long been limited to a highly restricted subset of problems—namely, density-based compliance minimization—for which gradients can be analytically derived. For other objective functions…
Edwin P. Duque, Daniel Villarreal, Henrry Rojas A
The optimization of civil structures is a technique whose purpose is to efficiently use the materials that make up the structural systems based on previously established restrictions and objectives. The use and development of these techniques has been closely linked to technological advance since, through the use of…
Authors not listed
With the ever-increasing demand for atomistic structures representative of real-life systems as well as the ad-vent of exascale computers, it has now become necessary and possible to use advanced global optimization (GO) techniques to intelligently sample the potential energy surface (PES). Given the previous studies…
Rafael Merli, Antolín Martínez-Martínez, Juan José Ródenas, Marc Bosch-Galera + 1 more
'Marc Bosch-Galera' 'E. Nadal'] In the current industry, the development of optimized mechanical components able to satisfy the customer requirements evolves quickly. Therefore, companies are asked for efficient solutions to improve their products in terms of stiffness and strength. In this sense, Topology Optimization…
Rizwan Azam, Muhammad Rizwan Riaz, Muhammad Umer Farooq, Faraz Ali + 4 more
'Muhammad Mohsan' 'Ahmed Farouk Deifalla' 'Abdeliazim Mustafa Mohamed' 'Pengcheng Jiao'] In the past, many studies have been conducted on the optimization of reinforced concrete (RC) structures. These studies have demonstrated the effectiveness of different optimization techniques to obtain an economical design.…
Jyotiranjan nayak, Shafeequdheen P, Vijayakrishna Rowthu
This study investigates the impact of finite element selection on structural topology optimization using the SIMP (Solid Isotropic Material with Penalization) method. Specifically, it compares linear (P1) and quadratic (P2) triangular elements with the conventional bi-linear quadrilateral (Q1) elements. Numerical…
Eric Havenhill, Soham Ghosh
Cell migration requires the dynamic formation and dissolution of mechanical structures inside the cytoplasm. Stress fibers are made of F-actin during cell migration driven by the strategic localization of focal adhesion complexes at the cell-substrate interface. The nucleus is also strategically positioned in the cell…
Odin Zhang, Jiaqi Wang, Tuscan Rock Thompson, Ziyi You + 3 more
Biomolecular interactions, including protein–protein interactions, protein–nucleic acid recognition, and protein–small molecule binding, underlie a wide range of biological processes and therapeutic mechanisms. Although recent de novo design methods can generate candidate binders for diverse molecular targets…
Luis Saucedo-Mora, Ismael Ben-Yelun, Hugo García-Modet, Miguel Ángel Sanz-Gómez + 1 more
The design and manufacturing of high value industrial components is suffering a change of paradigm with 3D printing. In this change of paradigm, metamaterials have an important role because when a component is 3D-printed, it is performed from the micro level, where custom structures may be designed to endow the…
Lowhikan Sivanantha Sarma, Chinthaka Mallikarachchi, Sumudu Herath
Although various structural optimization techniques have a sound mathematical basis, the practical constructability of optimal designs poses a great challenge in the manufacturing stage. Currently, there is only a limited number of unified frameworks which output ready-to-manufacture parametric Computer-Aided Designs…
Damian Sokołowski, Marcin Kamiński, Luigi Calabrese, Angelo Marcello Tarantino + 3 more
'Angelo Marcello Tarantino' 'Carmelo Majorana' 'Raimondo Luciano' 'Michele Bacciocchi'] This paper proposes the framework for reliability-based design optimization (RBDO) of structural elements with an example based on the corrugated web I-girder. It tackles the problem of topological optimization of corroding…
João Sartori, Eduardo Krempser, Ana Carolina Ramos Guimarães, Lucas de Almeida Machado
The optimization of protein sequences for enhanced binding and stability remains a formidable challenge in bioengineering due to the vastness of sequence space. Existing state-of-the-art methods, including traditional structure-based design and protein language models, use fitness estimators as objective functions to…
Tomasz Gajewski, Natalia Staszak, Tomasz Garbowski, Michele Bacciocchi
The production of thin-walled beams with various cross-sections is increasingly automated and digitized. This allows producing complicated cross-section shapes with a very high precision. Thus, a new opportunity has appeared to optimize these types of products. The optimized parameters are not only the lengths of the…
David Silva-Sánchez, Erik H. Thiede, Roy R. Lederman, Pilar Cossio
Biomolecules are inherently dynamic, and understanding their conformational ensemble distributions is essential for understanding their dynamics and biological roles. Cryo-electron microscopy (cryo-EM), a technique that images individual biomolecules frozen in a thin layer of amorphous ice, has emerged as a leading…
Dario Wirtz, Claus Horn
The vastness of the space of possible protein variations is often regarded an insurmountable challenge for effective optimization. Traditional approaches focus primarily on substitutions near the binding pocket but are frequently hindered by epistatic effects and non-convex optimization landscapes. Current AI-aided…
Mehran Ebrahimi, Hyunmin Cheong, Pradeep Kumar Jayaraman, Farhad Javid
'Farhad Javid'] In optimizing real-world structures, due to fabrication or budgetary restraints, the design variables may be restricted to a set of standard engineering choices. Such variables, commonly called categorical variables, are discrete and unordered in essence, precluding the utilization of gradient-based…
Mohammed Rady, Sameh Youssef Mahfouz, Andreas Lampropoulos
This paper investigates the effects of concrete grades and column spacings on the optimal design of reinforced concrete (RC) buildings. To this end, cost design optimization was performed for buildings with three different floor systems: flat plates (FS), flat slabs with drop panels (FSDP), and solid slabs (SS). The…
Authors not listed
This article presents an overview about the state of the art in the development of structured packings for distillation applications. The focus is on highlighting different approaches including heuristic development cycles, the development of new packing structures, 3D-printing as tool for manufacturing, and…
Maryam Nurhuda, Carole Perry, Matthew Addicoat
Tight-binding approaches bridge the gap between force field methods and Density Functional Theory (DFT). Density Functional Tight Binding (DFTB) has been employed for a wide range of systems containing up to ca. 5000 atoms, and has an accuracy comparable to DFT but is 2-3 orders of magnitude faster. The efficiency of…
Authors not listed
Photo-actuated organic crystals, which can be remotely controlled by light, are gaining attention as next-generation actuator materials. In the practical application of actuator materials, not only the mode of deformation but also the output force is an important property. Since the output force depends on both the…
Massimiliano Lupo Pasini, GS Jung, Stephan Irle
We developed a graph convolutional neural network (GCNN) to predict the formation energy and the bulk modulus for models of solid solution alloys for various atomic crystal structures and relaxed volumes. We trained the GCNN model on a dataset for nickel-niobium (NiNb) that was generated for simplicity with the…
Riley Hickman, Priyansh Parakh, Austin Cheng, Qianxiang Ai + 3 more
Experiment planning algorithms are a required component of autonomous platforms for scientific discovery. Selecting a suitable optimization algorithm for a novel application is an important yet difficult choice a researcher has to make based on past empirical performance on similar tasks. To facilitate the evaluation…
Riley Hickman, Matteo Aldeghi, Alán Aspuru-Guzik
Model-based optimization strategies, such as Bayesian optimization (BO), have been deployed across the natural sciences in design and discovery campaigns due to their sample efficiency and flexibility. The combination of such strategies with automated laboratory equipment and/or high-performance computing in a…