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We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train…

In this work we explore the application of deep neural networks to the optimization of atomic layer deposition processes based on thickness values obtained at different points of an ALD reactor. We introduce a dataset designed to train…

Machine Learning · Computer Science 2024-06-19 Angel Yanguas-Gil , Jeffrey W. Elam

The structure of heavy nuclei is difficult to disentangle in high-energy heavy-ion collisions. The deep convolution neural network (DCNN) might be helpful in mapping the complex final states of heavy-ion collisions to the nuclear structure…

Nuclear Theory · Physics 2019-06-26 Long-Gang Pang , Kai Zhou , Xin-Nian Wang

We explore the potential of the deep Ritz method to learn complex fracture processes such as quasistatic crack nucleation, propagation, kinking, branching, and coalescence within the unified variational framework of phase-field modeling of…

Applied Physics · Physics 2024-04-23 M. Manav , R. Molinaro , S. Mishra , L. De Lorenzis

Predicting the dynamics of complex systems is crucial for various scientific and engineering applications. The accuracy of predictions depends on the model's ability to capture the intrinsic dynamics. While existing methods capture key…

Computational Engineering, Finance, and Science · Computer Science 2025-06-10 Ruikun Li , Jingwen Cheng , Huandong Wang , Qingmin Liao , Yong Li

The macroscopic properties of materials that we observe and exploit in engineering application result from complex interactions between physics at multiple length and time scales: electronic, atomistic, defects, domains etc. Multiscale…

Phase-field modeling reformulates fracture problems as energy minimization problems and enables a comprehensive characterization of the fracture process, including crack nucleation, propagation, merging, and branching, without relying on…

Computational Physics · Physics 2025-04-15 Elham Kiyani , Manav Manav , Nikhil Kadivar , Laura De Lorenzis , George Em Karniadakis

Dual-energy computed tomography (DECT) utilizes separate X-ray energy spectra to improve multi-material decomposition (MMD) for various diagnostic applications. However accurate decomposing more than two types of material remains…

Image and Video Processing · Electrical Eng. & Systems 2023-11-02 Di Xu , Qihui Lyu , Dan Ruan , Ke Sheng

Failure in brittle materials under dynamic loading conditions is a result of the propagation and coalescence of microcracks. Simulating this mechanism at the continuum level is computationally expensive or, in some cases, intractable. The…

This work is directed to uncertainty quantification of homogenized effective properties for composite materials with complex, three dimensional microstructure. The uncertainties arise in the material parameters of the single constituents as…

Machine Learning · Computer Science 2021-10-27 Alexander Henkes , Ismail Caylak , Rolf Mahnken

Hydrogen atom transfer (HAT) reactions are essential in many biological processes, such as radical migration in damaged proteins, but their mechanistic pathways remain incompletely understood. Simulating HAT is challenging due to the need…

Machine Learning · Computer Science 2025-11-25 Marlen Neubert , Patrick Reiser , Frauke Gräter , Pascal Friederich

Nonlinear structural analyses in engineering often require extensive finite element simulations, limiting their applicability in design optimization and real-time control. Conventional deep learning surrogates often struggle with complex,…

Machine Learning · Computer Science 2026-02-20 Jangseop Park , Namwoo Kang

A major challenge in materials science is the determination of the structure of nanometer sized objects. Here we present a novel approach that uses a generative machine learning model based on diffusion processes that is trained on 45,229…

Computational Physics · Physics 2024-11-01 Gabe Guo , Tristan Saidi , Maxwell Terban , Michele Valsecchi , Simon JL Billinge , Hod Lipson

We investigate the role of microstructural bridging on the fracture toughness of composite materials. To achieve this, a new computational framework is presented that integrates phase field fracture and cohesive zone models to simulate…

Applied Physics · Physics 2022-01-11 W. Tan , E. Martínez-Pañeda

Understanding the long-term transport of hydrogen isotopes in plasma-facing materials, such as tungsten, is critical for the steady-state operation of magnetic confinement fusion reactors. However, dynamically updating the transition…

The robotic systems continuously interact with complex dynamical systems in the physical world. Reliable predictions of spatiotemporal evolution of these dynamical systems, with limited knowledge of system dynamics, are crucial for…

Artificial Intelligence · Computer Science 2019-01-08 Yun Long , Xueyuan She , Saibal Mukhopadhyay

The macroscopic response of short fiber reinforced composites is dependent on an extensive range of microstructural parameters. Thus, micromechanical modeling of these materials is challenging and in some cases, computationally expensive.…

Machine Learning · Computer Science 2022-10-04 J. Friemann , B. Dashtbozorg , M. Fagerström , S. M. Mirkhalaf

We develop the machine learning capability to predict a time sequence of in-situ transmission electron microscopy (TEM) video frames based on the combined long-short-term-memory (LSTM) algorithm and the features de-entanglement method. We…

Materials Science · Physics 2022-05-24 Wenkai Fu , Steven R. Spurgeon , Chongmin Wang , Yuyan Shao , Wei Wang , Amra Peles

Network traffic prediction techniques have attracted much attention since they are valuable for network congestion control and user experience improvement. While existing prediction techniques can achieve favorable performance when there is…

Networking and Internet Architecture · Computer Science 2025-05-29 Hui Ma , Kai Yang

Spiking Neural Networks (SNNs) can do inference with low power consumption due to their spike sparsity. ANN-SNN conversion is an efficient way to achieve deep SNNs by converting well-trained Artificial Neural Networks (ANNs). However, the…

Neural and Evolutionary Computing · Computer Science 2023-03-24 Xiang He , Yang Li , Dongcheng Zhao , Qingqun Kong , Yi Zeng