Article
Computer Science, Software Engineering
Stefan Pillwein, Johanna Kubert, Florian Rista, Przemyslaw Musialski
Summary: Elastic geodesic grids (EGG) are lightweight structures that approximate designer provided free-form surfaces. Decomposing surfaces into smaller patches is an effective strategy to tackle limitations with more sophisticated design surfaces. This structure is suitable for various purposes like free-form sub-structures, panels, sun and rain protectors, etc.
COMPUTERS & GRAPHICS-UK
(2021)
Article
Multidisciplinary Sciences
Xin Jin, Guochao Zhao, Lijuan Zhao, Guocong Lin
Summary: This paper proposes a computer-aided structure design and performance optimization method for the cutting head of a roadheader. By using virtual prototype technology and extensive simulations, the design and working performance of the cutting head are improved efficiently.
SCIENTIFIC REPORTS
(2022)
Article
Computer Science, Software Engineering
Davide Pellis, Martin Kilian, Helmut Pottmann, Mark Pauly
Summary: This paper studies Weingarten surfaces and their potential in freeform architecture design. By leveraging the symmetries of Weingarten surfaces, surface paneling of double-curved architectural skins can be simplified. An optimization approach is presented to find a Weingarten surface close to a given input design.
ACM TRANSACTIONS ON GRAPHICS
(2021)
Review
Chemistry, Medicinal
Victor T. Sabe, Thandokuhle Ntombela, Lindiwe A. Jhamba, Glenn E. M. Maguire, Thavendran Govender, Tricia Naicker, Hendrik G. Kruger
Summary: Computer-aided drug design (CADD) is a pivotal approach in contemporary pre-clinical drug discovery, utilizing various computational techniques and software programs to achieve desired outcomes. Research evaluated the techniques and software programs used in CADD, along with experimental validations. The application of CADD has led to the discovery of numerous approved drugs, with a growing trend in the field.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
(2021)
Article
Engineering, Multidisciplinary
Yingjun Wang, Mi Xiao, Zhaohui Xia, Peigen Li, Liang Gao
Summary: This paper proposes a novel design mode, called human-aided design (HAD), to replace conventional computer-aided design (CAD). In HAD, computers can automatically complete product design using a new isogeometric topology optimization (ITO), while humans assist in making slight modifications. An embedded domain ITO is introduced for designing complex models with irregular domains, and editable geometric models of optimized results can be generated automatically. Experimental results on three different examples demonstrate the potential of the HAD mode to deliver high-quality optimized models, suggesting it as a revolutionary technology to transform the current design mode.
Article
Chemistry, Physical
Chao-Min Huang, Anjelica Kucinic, Joshua A. Johnson, Hai-Jun Su, Carlos E. Castro
Summary: Recent studies have shown that integrating molecular dynamics-based computer-aided engineering with computer-aided design allows for the rapid construction of large three-dimensional DNA assemblies with control over their geometry, mechanics, and dynamics, expanding the scope of structural complexity and design capabilities for DNA assemblies.
Article
Engineering, Chemical
Yi Peng Heng, Ho Yan Lee, Jia Wen Chong, Raymond R. Tan, Kathleen B. Aviso, Nishanth G. Chemmangattuvalappil
Summary: This study proposes a rough set-based machine learning approach to predict the olfaction properties of fragrance molecules and applies it to a computer-aided molecular design framework. By generating rule-based models, the structure-odour relationship of fragrance molecules is determined, and the combination of multiple rules increases the coverage of different classes of molecules.
Article
Computer Science, Information Systems
Hongqi Min, Ting Zhou, Tianheng Xu, Yongming Huang, Honglin Hu
Summary: This letter addresses the optimization of beamforming in a heterogeneous intelligent reflective surfaces (IRSs)-aided downlink wireless system. The goal is to maximize the achievable sum rate by jointly optimizing the active beamforming at the base station (BS) and the passive phase shifts at IRSs under a maximum transmit power constraint. An unsupervised stratified federated learning algorithm is proposed to allow distributed clients to collaboratively train local models by exploiting internal correlations within the observed channel data without being affected by heterogeneity. Simulation results show that the proposed algorithm achieves comparable performance to the centralized deep learning-based method with significantly fewer training data samples and achieves most of the performance of the semidefinite relaxation algorithm with greatly reduced computational complexity.
IEEE WIRELESS COMMUNICATIONS LETTERS
(2023)
Article
Computer Science, Software Engineering
Caigui Jiang, Hui Wang, Victor Ceballos Inza, Felix Dellinger, Florian Rist, Johannes Wallner, Helmut Pottmann
Summary: This study successfully represents free forms through precise isometric bending of surfaces made from a small number of molds, solving the paneling task with surfaces of constant Gaussian curvature. The research also explores interesting connections between the paneling problem and the geometry of Killing vector fields, designing and actuating isometries, curved folding in the case of double-curved surfaces, and quad meshes with rigid faces that remain flexible.
ACM TRANSACTIONS ON GRAPHICS
(2021)
Article
Computer Science, Interdisciplinary Applications
Nikita Letov, Yaoyao Fiona Zhao
Summary: Geometric modelling is crucial in the design process, and additive manufacturing has enhanced design freedom. However, the modelling of heterogeneous lattice structures is still limited. This study proposes a novel approach using mathematical functions to control geometric parameters and addresses the limitations of existing methods.
JOURNAL OF COMPUTATIONAL DESIGN AND ENGINEERING
(2022)
Article
Chemistry, Physical
Hao Zhou, Fuhai Liu, Jinkai Chen, Junchao Wang, Yun Wu, Jin Chen, Shiyuan Chang, Lianbin Xia, Chi Zhang, Jingyang Jiang, Kang Dong, Chenhao Zhang, Lingling Sun, Weipeng Xuan, Pengfei Zhao, Hao Jin, Shurong Dong, Jikui Luo
Summary: Developing efficient triboelectric nanogenerators (TENGs) is crucial for their applications. However, the current design processes cannot effectively optimize complex TENG structures. Therefore, a universal computer aided design automation method is proposed to generate optimal power output TENG designs with designated matching resistance. Through simulations and verification, a designed FR-TENG with optimized output power and impedance is used in a self-powered wireless environmental monitoring system.
Article
Engineering, Mechanical
Long Jiang, Xianfeng David Gu, Shikui Chen
Summary: Topology optimization has been proven to be an efficient tool for structural design, with recent focus shifting towards multimaterial and multiscale structures. This paper proposes a numerical scheme for designing bionic structures using a two-stage parametric level set topology optimization combined with the conformal mapping method. The study introduces a multi-control-point conformal mapping (MCM) based on Ricci flow to handle complex geometries and a variable-thickness structure method to maintain effective mechanical properties of metamaterials after conformal mapping. Three 2D numerical examples using MCM schemes are presented, demonstrating the orderly chaos features of bionic structures in achieved multimaterial multiscale structure models while maintaining desired performance.
JOURNAL OF MECHANICAL DESIGN
(2021)
Article
Engineering, Chemical
F. J. Aschmoneit, C. Helix-Nielsen
Summary: Recent research has focused on developing pressure retarded osmosis-specific membranes, while a novel submerged-helical module design with potential for significant net energy generation under specific conditions has been introduced. This design is advantageous in terms of operation costs compared to spiral-wound modules and plate-and-frame modules for pressure retarded osmosis applications.
JOURNAL OF MEMBRANE SCIENCE
(2021)
Article
Thermodynamics
Yunren Sui, Chong Zhai, Wei Wu, Michael K. H. Leung
Summary: Absorption cycles utilizing renewable energy and waste heat have gained attention for achieving carbon neutrality. This study applies a multi-scale computational screening method to identify the optimum ionic liquid (IL) for absorption heat transformers (AHTs). The relationship between IL molecular structures and AHT cycle performance is analyzed, and machine learning algorithms are integrated to predict cycle performance. The proposed multi-scale CAMD approach provides a high-throughput computational screening of ILs for high-efficiency absorption systems.
ENERGY CONVERSION AND MANAGEMENT
(2022)
Article
Mathematics, Applied
Claus Danielson
Summary: This paper introduces a novel polynomial algorithm for constructing minimal polytopic fundamental domains of polytopic sets and mapping elements of the polytope to their representatives in the fundamental domain. The algorithms are demonstrated through four examples, showcasing both illustrative and practical applications.
SIAM JOURNAL ON OPTIMIZATION
(2021)