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Plasmonic structures are renowned for their capability to efficiently convert light into heat at the nanoscale. However, despite the possibility to generate deep sub-wavelength electromagnetic hot spots, the formation of extremely localized…

Recently, machine learning has emerged as an alternative, powerful approach for predicting quantum-mechanical properties of molecules and solids. Here, using kernel ridge regression and atomic fingerprints representing local environments of…

Materials Science · Physics 2018-03-08 Teppei Suzuki , Ryo Tamura , Tsuyoshi Miyazaki

Progress in the emerging fields of atomic and close-to-atomic scale manufacturing is underpinned by enhanced precision and optimization of laser-controlled nanostructuring. Understanding thin films' crystallographic orientations and…

Materials Science · Physics 2024-12-24 Hariprasath Ganesan , Stefan Sandfeld

We develop a transferable machine learning model which predicts structural relaxation from amorphous supercooled liquid structures. The trained networks are able to predict dynamic heterogeneity across a broad range of temperatures and time…

Soft Condensed Matter · Physics 2024-02-27 Gerhard Jung , Giulio Biroli , Ludovic Berthier

Thin films are ubiquitous in modern technology and highly useful in materials discovery and design. For achieving optimal extrinsic properties their microstructure needs to be controlled in a multi-parameter space, which usually requires a…

Applied Physics · Physics 2020-03-31 Lars Banko , Yury Lysogorskiy , Dario Grochla , Dennis Naujoks , Ralf Drautz , Alfred Ludwig

Potentials that could accurately describe the irradiation damage processes are highly desired to figure out the atomic-level response of various newly-discovered materials under irradiation environments. In this work, we introduce a…

Materials Science · Physics 2020-10-20 Hao Wang , Xun Guo , Jianming Xue

Boron phosphide (BP) is a (super)hard semiconductor constituted of light elements, which is promising for high demand applications at extreme conditions. The behavior of BP at high temperatures and pressures is of special interest but is…

The potential for complex systems to exhibit tipping points in which an equilibrium state undergoes a sudden and often irreversible shift is well established, but prediction of these events using standard forecast modeling techniques is…

Atmospheric and Oceanic Physics · Physics 2022-12-07 Daniel Dylewsky , Timothy M. Lenton , Marten Scheffer , Thomas M. Bury , Christopher G. Fletcher , Madhur Anand , Chris T. Bauch

We present a comprehensive, physics aware deep learning framework for constructing fast and accurate surrogate models of rarefied, shock containing micro nozzle flows. The framework integrates three key components, a Fusion DeepONet…

Machine Learning · Computer Science 2025-10-22 Ehsan Roohi , Amirmehran Mahdavi

Estimating the free energy, as well as other thermodynamic observables, is a key task in lattice field theories. Recently, it has been pointed out that deep generative models can be used in this context [1]. Crucially, these models allow…

High Energy Physics - Lattice · Physics 2022-09-21 Kim A. Nicoli , Christopher Anders , Lena Funcke , Tobias Hartung , Karl Jansen , Pan Kessel , Shinichi Nakajima , Paolo Stornati

We introduce a deep learning framework designed to train smoothed elastoplasticity models with interpretable components, such as a smoothed stored elastic energy function, a yield surface, and a plastic flow that are evolved based on a set…

Machine Learning · Computer Science 2020-10-23 Nikolaos N. Vlassis , WaiChing Sun

Deep Material Network (DMN) has recently emerged as a data-driven surrogate model for heterogeneous materials. Given a particular microstructural morphology, the effective linear and nonlinear behaviors can be successfully approximated by…

Computational Engineering, Finance, and Science · Computer Science 2023-12-15 Tianyi Li

We present a deep learning-based object detection and object tracking algorithm to study droplet motion in dense microfluidic emulsions. The deep learning procedure is shown to correctly predict the droplets' shape and track their motion at…

Soft Condensed Matter · Physics 2021-10-04 Mihir Durve , Fabio Bonaccorso , Andrea Montessori , Marco Lauricella , Adriano Tiribocchi , Sauro Succi

In order to make accurate predictions of material properties, current machine-learning approaches generally require large amounts of data, which are often not available in practice. In this work, an all-round framework is presented which…

Materials Science · Physics 2021-07-09 Pierre-Paul De Breuck , Geoffroy Hautier , Gian-Marco Rignanese

Superresolution microscopy has become a powerful tool to investigate the internal structure of complex colloidal and polymeric systems, such as microgels, at the nanometer scale. The ability to monitor microgels response to temperature…

Crystals of energetic materials, such as HMX, embedded in plastic binders are the building blocks of plastic-bonded explosives. Such heterogeneous energetic materials contain microstructural features such as sharp corners, interfaces…

Materials Science · Physics 2022-10-26 Pratik Das , H. S. Udaykumar

We propose a machine learning (ML) architecture to better capture the dependency of thermodynamic properties on the independent states. When predicting state-dependent thermodynamic properties, ML models need to account for both molecular…

Chemical Physics · Physics 2025-09-23 Jan Pavšek , Alexander Mitsos , Manuel Dahmen , Tai Xuan Tan , Jan G. Rittig

Understanding heat transfer in composite materials is essential for optimizing their performance in critical applications across industries such as aerospace, automotive, renewable energy, and construction. This review offers a…

Applied Physics · Physics 2025-01-28 Mohammad Alaghemandi , Morgan Alamandi

The shock to detonation transition in heterogeneous plastically bonded explosives is dominated by energy localization into hotspots that arise from the interaction of the shockwave with microstructural features and defects. The complex…

Materials Science · Physics 2022-02-07 Chunyu Li , Brenden W Hamilton , Tongtong Shen , Lorena Alzate , Alejandro Strachan

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…