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Additive Manufacturing (AM) is a manufacturing paradigm that builds three-dimensional objects from a computer-aided design model by successively adding material layer by layer. AM has become very popular in the past decade due to its…

Machine Learning · Computer Science 2019-08-12 Arindam Paul , Mojtaba Mozaffar , Zijiang Yang , Wei-keng Liao , Alok Choudhary , Jian Cao , Ankit Agrawal

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

Accurate prediction of pure component physiochemical properties is crucial for process integration, multiscale modeling, and optimization. In this work, an enhanced framework for pure component property prediction by using explainable…

Applications · Statistics 2025-06-09 Jianfeng Jiao , Xi Gao , Jie Li

Selective Laser Melting (SLM) is a powder-bed additive manufacturing technique whose part quality depends critically on feedstock morphology. However, conventional powder characterization methods are low-throughput and qualitative, failing…

Computer Vision and Pattern Recognition · Computer Science 2025-12-10 Emmanuel Akeweje , Conall Kirk , Chi-Wai Chan , Denis Dowling , Mimi Zhang

Among the many additive manufacturing (AM) processes for metallic materials, selective laser melting (SLM) is arguably the most versatile in terms of its potential to realize complex geometries along with tailored microstructure. However,…

Applied Physics · Physics 2019-05-08 Christoph Meier , Ryan W. Penny , Yu Zou , Jonathan S. Gibbs , A. John Hart

In additive manufacturing, the optimal processing conditions need to be determined to fabricate porosity-free parts. For this purpose, the design space for an arbitrary alloy needs to be scoped and analyzed to identify the areas of defects…

Additive Manufacturing (AM) is a transformative manufacturing technology enabling direct fabrication of complex parts layer-be-layer from 3D modeling data. Among AM applications, the fabrication of Functionally Graded Materials (FGMs) has…

Machine Learning · Computer Science 2024-07-26 Mohammad Karimzadeh , Deekshith Basvoju , Aleksandar Vakanski , Indrajit Charit , Fei Xu , Xinchang Zhang

Quality control is an essential operation in manufacturing, ensuring products meet the necessary standards of quality, safety, and reliability. Traditional methods, such as visual inspections, measurements, and statistical techniques, help…

Signal Processing · Electrical Eng. & Systems 2026-03-13 Sukumaran Rajasekaran , Ebru Turanoglu Bekar , Kanika Gandhi , Sabino Francesco Roselli , Mohan Rajashekarappa

Ensuring the quality and reliability of Metal Additive Manufacturing (MAM) components is crucial, especially in the Laser Powder Bed Fusion (L-PBF) process, where melt pool defects such as keyhole, balling, and lack of fusion can…

Machine Learning · Computer Science 2024-11-19 Ahmed Shoyeb Raihan , Austin Harper , Israt Zarin Era , Omar Al-Shebeeb , Thorsten Wuest , Srinjoy Das , Imtiaz Ahmed

Process optimization in chemical engineering may be hindered by the limited availability of reliable thermodynamic data for fluid mixtures. Remarkable progress is being made in predicting thermodynamic mixture properties by machine learning…

Computational Engineering, Finance, and Science · Computer Science 2025-10-14 Martin Bubel , Tobias Seidel , Michael Bortz

With the increasing adoption of metal additive manufacturing (AM), researchers and practitioners are turning to data-driven approaches to optimise printing conditions. Cross-sectional images of melt tracks provide valuable information for…

Computer Vision and Pattern Recognition · Computer Science 2024-10-02 Aagam Shah , Reimar Weissbach , David A. Griggs , A. John Hart , Elif Ertekin , Sameh Tawfick

Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles…

Traditionally, yield strength prediction relies on detailed and resource-intensive microstructural characterization combined with empirical equations. However, quantifying microstructural feature length scales for novel processes like…

Materials Science · Physics 2024-12-12 Abhinav Chandraker , Sampad Barik , Nichenametla Jai Sai , Ankur Chauhan

New discoveries in chemistry and materials science, with increasingly expanding volume of requisite knowledge and experimental workload, provide unique opportunities for machine learning (ML) to take critical roles in accelerating research…

Additive Manufacturing (AM) is transforming the manufacturing sector by enabling efficient production of intricately designed products and small-batch components. However, metal parts produced via AM can include flaws that cause inferior…

Computer Vision and Pattern Recognition · Computer Science 2024-11-05 Duy Nhat Phan , Sushant Jha , James P. Mavo , Erin L. Lanigan , Linh Nguyen , Lokendra Poudel , Rahul Bhowmik

We present a proof of concept that machine learning techniques can be used to predict the properties of CNOHF energetic molecules from their molecular structures. We focus on a small but diverse dataset consisting of 109 molecular…

Materials Science · Physics 2018-06-14 Daniel C. Elton , Zois Boukouvalas , Mark S. Butrico , Mark D. Fuge , Peter W. Chung

The shape of a weld bead is critical in assessing the quality of the welded joint. In particular, this has a major impact in the accuracy of the results obtained from a numerical analysis. This study focuses on the statistical design…

Machine Learning · Computer Science 2022-06-08 R. Pradhan , A. P Joshi , M. R Sunny , A. Sarkar

Insufficient overlap between the melt pools produced during Laser Powder Bed Fusion (L-PBF) can lead to lack-of-fusion defects and deteriorated mechanical and fatigue performance. In-situ monitoring of the melt pool subsurface morphology…

We present a data-driven, differentiable neural network model designed to learn the temperature field, its gradient, and the cooling rate, while implicitly representing the melt pool boundary as a level set in laser powder bed fusion. The…

Designing alloys for additive manufacturing (AM) presents significant opportunities. Still, the chemical composition and processing conditions required for printability (ie., their suitability for fabrication via AM) are challenging to…