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The paper presents a topology optimization approach that designs an optimal structure, called a self-supporting structure, which is ready to be fabricated via additive manufacturing without the usage of additional support structures. Such…

Computational Engineering, Finance, and Science · Computer Science 2017-08-25 Dengyang Zhao , Ming Li , Yusheng Liu

The stability of chemically complex nanoparticles is governed by an immense configurational space arising from heterogeneous local atomic environments across surface and interior regions. Efficiently identifying low-energy configurations…

Persistence diagrams play a fundamental role in Topological Data Analysis where they are used as topological descriptors of filtrations built on top of data. They consist in discrete multisets of points in the plane $\mathbb{R}^2$ that can…

Computational Geometry · Computer Science 2019-03-25 Frédéric Chazal , Vincent Divol

The inner structure of a material is called microstructure. It stores the genesis of a material and determines all its physical and chemical properties. While microstructural characterization is widely spread and well known, the…

Computer Vision and Pattern Recognition · Computer Science 2018-02-16 Seyed Majid Azimi , Dominik Britz , Michael Engstler , Mario Fritz , Frank Mücklich

Faces-classes of grains, often referred to as topological features, largely dictate the evolution of polycrystalline microstructures during grain growth. Realising these topological features is generally an arduous task, often demanding…

Materials Science · Physics 2023-01-02 Mridhula Venkatanarayanan , P G Kubendran Amos

Segmenting curvilinear structures in medical images is essential for analyzing morphological patterns in clinical applications. Integrating topological properties, such as connectivity, improves segmentation accuracy and consistency.…

Computer Vision and Pattern Recognition · Computer Science 2026-01-27 Zhuangzhi Gao , Feixiang Zhou , He Zhao , Xiuju Chen , Xiaoxin Li , Qinkai Yu , Yitian Zhao , Alena Shantsila , Gregory Y. H. Lip , Eduard Shantsila , Yalin Zheng

Synthesizing realistic microstructure images conditioned on processing parameters is crucial for understanding process-structure relationships in materials design. However, this task remains challenging due to limited training micrographs…

Materials Science · Physics 2025-11-21 Hoang Cuong Phan , Minh Tien Tran , Chihun Lee , Hoheok Kim , Sehyeok Oh , Dong-Kyu Kim , Ho Won Lee

Owing to its high scalability and computational efficiency, machine learning methods have been increasingly integrated into various scientific research domains, including ab initio-based materials design. It has been demonstrated that, by…

Materials Science · Physics 2025-10-16 Feng Chen , Shu Li , Xin Chen , Dennis Wong , Biplab Sanyal , Duo Wang

The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations. In this work, we alleviate this issue by extending…

Materials Science · Physics 2020-07-07 Victor Venturi , Holden Parks , Zeeshan Ahmad , Venkatasubramanian Viswanathan

This work incorporates topological features via persistence diagrams to classify point cloud data arising from materials science. Persistence diagrams are multisets summarizing the connectedness and holes of given data. A new distance on…

Machine Learning · Statistics 2019-11-11 Vasileios Maroulas , Cassie Putman Micucci , Adam Spannaus

In materials science, microstructures and their associated extrinsic properties are critical for engineering advanced structural and functional materials, yet their robust reconstruction and generation remain significant challenges. In this…

Materials Science · Physics 2024-10-01 Yixuan Zhang , Teng Long , Hongbin Zhang

In this work, we develop a pipeline that associates Persistence Diagrams to digital data via the most appropriate filtration for the type of data considered. Using a grid search approach, this pipeline determines optimal representation…

Computer Vision and Pattern Recognition · Computer Science 2023-09-28 Francesco Conti , Davide Moroni , Maria Antonietta Pascali

Machine learning has emerged as a potent computational tool for expediting research and development in solid oxide fuel cell electrodes. The effective application of machine learning for performance prediction requires transforming…

Materials Science · Physics 2025-03-19 Maksym Szemer , Szymon Buchaniec , Tomasz Prokop , Grzegorz Brus

The anomalous behavior of liquid water is widely associated with a liquid-liquid phase transition between high- and low-density states in the supercooled regime. At the microscopic level, tetrahedral hydrogen-bond networks govern these…

Soft Condensed Matter · Physics 2026-05-04 Kohei Yoshikawa , Kokoro Shikata , Kang Kim , Nobuyuki Matubayasi

Finding quantitative descriptors representing the microstructural features of a given material is an ongoing research area in the paradigm of Materials-by-Design. Historically, microstructural analysis mostly relies on qualitative…

Materials Science · Physics 2022-08-09 Khaled Alrfou , Amir Kordijazi , Tian Zhao

The sorption curve is an essential feature for the modelling of heat and mass transfer in porous building materials. Several models have been proposed in the literature to represent the amount of moisture content in the material according…

Applications · Statistics 2021-04-21 Julien Berger , Thibaut Colinart , Bruna R. Loiola , Helcio R. B. Orlande

Many datasets can be viewed as a noisy sampling of an underlying space, and tools from topological data analysis can characterize this structure for the purpose of knowledge discovery. One such tool is persistent homology, which provides a…

Homogenization is a technique for the analysis of complex materials by replacing them with equivalent homogeneous materials that exhibit similar properties. By constructing a three-dimensional (3D) porous material model and employing…

Applied Physics · Physics 2024-07-16 Anna Stepashkina , Fuguang Chen , Lipeng Chen

Microstructure--property relationships are key to effective design of structural materials for advanced applications. Advances in computational methods enabled modeling microstructure-sensitive properties using 3D models (e.g., finite…

Materials Science · Physics 2023-03-20 Guangyu Hu , Marat I. Latypov

Object recognition in unseen indoor environments remains a challenging problem for visual perception of mobile robots. In this letter, we propose the use of topologically persistent features, which rely on the objects' shape information, to…

Computer Vision and Pattern Recognition · Computer Science 2021-07-30 Ekta U. Samani , Xingjian Yang , Ashis G. Banerjee