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Determining the stability of chemical compounds is essential for advancing material discovery. In this study, we introduce a novel deep neural network model designed to predict a crystal's formation energy, which identifies its stability…

Materials Science · Physics 2026-04-21 V. Torlao , E. A. Fajardo

X-ray absorption spectroscopy is a premier element-specific technique for materials characterization. Specifically, the x-ray absorption near-edge structure (XANES) encodes important information about the local chemical environment of an…

Materials Science · Physics 2019-03-27 Matthew R. Carbone , Shinjae Yoo , Mehmet Topsakal , Deyu Lu

Interface structures in complex oxides remain one of the active areas of condensed matter physics research, largely enabled by recent advances in scanning transmission electron microscopy (STEM). Yet the nature of the STEM contrast in which…

We measured the local composition and thickness of SiO2-based glass material from diffraction. By using four dimensional scanning transmission electron microscopy (4D-STEM), we obtained diffraction at each scanning point. Comparing the…

Materials Science · Physics 2020-05-20 K. Nakazawa , K. Mitsuishi , K. Shibata , S. Amma , T. Mizoguchi

We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning latent knowledge from material structure data in which…

Materials Science · Physics 2021-08-03 Tien-Cuong Nguyen , Van-Quyen Nguyen , Van-Linh Ngo , Quang-Khoat Than , Tien-Lam Pham

Ultrafast diffraction imaging is a powerful tool to retrieve the geometric structure of gas-phase molecules with combined picometre spatial and attosecond temporal resolution. However, structural retrieval becomes progressively difficult…

Chemical Physics · Physics 2021-10-13 Xinyao Liu , Kasra Amini , Aurelien Sanchez , Blanca Belsa , Tobias Steinle , Jens Biegert

We report the development of deep learning coherent electron diffractive imaging at sub-angstrom resolution using convolutional neural networks (CNNs) trained with only simulated data. We experimentally demonstrate this method by applying…

Materials Science · Physics 2022-04-19 Dillan J. Chang , Colum M. O'Leary , Cong Su , Salman Kahn , Alex Zettl , Jim Ciston , Peter Ercius , Jianwei Miao

The development of four-dimensional (4D) scanning transmission electron microscopy (STEM) using fast detectors has opened-up new avenues for addressing some of long-standing challenges in electron imaging. One of these challenges is how to…

Materials Science · Physics 2021-01-19 Yu-Tsun Shao , Renliang Yuan , Haw-Wen Hsiao , Qun Yang , Yang Hu , Jian-Min Zuo

Scanning Transmission Electron Microscopy (STEM) has become the main stay for materials characterization on atomic level, with applications ranging from visualization of localized and extended defects to mapping order parameter fields. In…

Instrumentation and Detectors · Physics 2019-01-15 Xin Li , Ondrej Dyck , Sergei V. Kalinin , Stephen Jesse

Over the last two decades, Electron Energy Loss Spectroscopy (EELS) imaging with a scanning transmission electron microscope (STEM) has emerged as a technique of choice for visualizing complex chemical, electronic, plasmonic, and phononic…

Analytical electron microscopy and spectroscopy of biological specimens, polymers, and other beam sensitive materials has been a challenging area due to irradiation damage. There is a pressing need to develop novel imaging and spectroscopic…

Machine Learning · Computer Science 2017-07-14 Yan Zhang , G. M. Dilshan Godaliyadda , Nicola Ferrier , Emine B. Gulsoy , Charles A. Bouman , Charudatta Phatak

Effective thermal conductivity is an important property of composites for different thermal management applications. Although physics-based methods, such as effective medium theory and solving partial differential equation, dominate the…

Computational Physics · Physics 2019-04-15 Qingyuan Rong , Han Wei , Hua Bao

Electron microscopy prevalently uses energy-dispersive x-ray spectroscopy (EDS) and electron energy loss spectroscopy (EELS) for elemental analysis. EDS and EELS energy resolutions are commonly between 30-100 eV or 0.01-1 eV, respectively.…

We introduce a denoising method for four-dimensional scanning transmission electron microscopy (4D-STEM) that relies on processing local, scan position-independent electron event-sparse data stacks, called event-sparse stack denoising. This…

Medical Physics · Physics 2025-12-12 Gregory Nordahl , Rebekka Klemmt , Espen Drath Bøjesen

Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…

Phase-change materials (PCMs) such as Ge-Sb-Te alloys are widely used in non-volatile memory applications due to their rapid and reversible switching between amorphous and crystalline states. However, their functional properties are…

Materials Science · Physics 2025-09-03 Mridul Kumar , Yevgeny Rakita

Accurate prediction of physical properties is critical for discovering and designing novel materials. Machine learning technologies have attracted significant attention in the materials science community for their potential for large-scale…

Materials Science · Physics 2021-11-24 Boyu Zhang , Mushen Zhou , Jianzhong Wu , Fuchang Gao

The design of novel materials hinges on the understanding of structure-property relationships. However, in recent times, our capability to synthesize a large number of materials has outpaced our speed at characterizing them. While the…

Electron Backscattering Diffraction (EBSD) provides important information to discriminate phase transformation products in steels. This task is conventionally performed by an expert, who carries a high degree of subjectivity and requires…