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Machine-learned interatomic potentials have transformed computational research in the physical sciences. Recent atomistic `foundation' models have changed the field yet again: trained on many different chemical elements and domains, these…

Scanning tunnelling microscopy (STM) enables atomic-resolution imaging and atom manipulation, but its utility is often limited by tip degradation and slow serial data acquisition. Fabrication adds another layer of complexity since the tip…

Computer Vision and Pattern Recognition · Computer Science 2025-10-31 Nikola L. Kolev , Tommaso Rodani , Neil J. Curson , Taylor J. Z. Stock , Alberto Cazzaniga

Materials with bespoke properties have long been identified by computational searches, and their experimental realisation is now coming within reach through autonomous laboratories. Scattering experiments are central to verifying the atomic…

Solid-phase epitaxy (SPE) and other three-dimensional epitaxial crystallization processes pose challenging structural and chemical characterization problems. The concentration of defects, the spatial distribution of elastic strain, and the…

The transmission electron microscope (TEM) has become an essential tool for innovation in nanoscience, material science, and biology. Despite these instruments being widely used across both industry and academia, academics may hesitate to…

Instrumentation and Detectors · Physics 2022-12-07 Patrick McBean , Zachary Milne , Arjun Kanthawar , Cameron O'Byrne , Khalid Hattar , Lewys Jones

Finite element models without simplifying assumptions can accurately describe the spatial and temporal distribution of heat in machine tools as well as the resulting deformation. In principle, this allows to correct for displacements of the…

Computational Engineering, Finance, and Science · Computer Science 2018-11-20 Andreas Naumann , Daniel Ruprecht , Joerg Wensch

We introduce a new image contrast mechanism for scanning transmission electron microscopy (STEM) that derives from the local symmetry within the specimen. For a given position of the electron probe on the specimen, the image intensity is…

Materials Science · Physics 2020-12-30 Matus Krajnak , Joanne Etheridge

The diverse spectrum of material characteristics including band gap, mechanical moduli, color, phonon and electronic density of states, along with catalytic and surface properties are intricately intertwined with the atomic structure and…

Materials Science · Physics 2023-11-28 Mehmet Ali Sarsil , Mubashir Mansoor , Mert Saracoglu , Servet Timur , Mustafa Urgen , Onur Ergen

Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

All materials are made from atoms arranged either in repeating (crystalline) or in random (amorphous) structures. Diffraction measurements probe average distances between atoms and/or planes of atoms. A transmission electron microscope in…

Materials Science · Physics 2025-07-24 Andreas Werbrouck , Nikhila C. Paranamana , Xiaoqing He , Matthias J. Young

Microplasmas can be used for a wide range of technological applications and to improve our understanding of fundamental physics. Scanning electron microscopy, on the other hand, provides insights into the sample morphology and chemistry of…

2D materials are emerging as promising nanomaterials for applications in energy storage and catalysis. In the wet chemical synthesis of MXenes, these 2D transition metal carbides and nitrides are terminated with a variety of functional…

Materials Science · Physics 2024-04-02 Mathias Krämer , Bar Favelukis , Maxim Sokol , Brian A. Rosen , Noam Eliaz , Se-Ho Kim , Baptiste Gault

We present an advanced scanning probe microscopy system enhanced with artificial intelligence (AI-SPM) designed for self-driving atomic-scale measurements. This system expertly identifies and manipulates atomic positions with high…

Computational Physics · Physics 2024-04-18 Zhuo Diao , Keiichi Ueda , Linfeng Hou , Fengxuan Li , Hayato Yamashita , Masayuki Abe

Imaging individual conformational instances of generic, inhomogeneous, transient or intrinsically disordered protein systems at the single molecule level in situ is one of the notable challenges in structural biology. Present techniques…

Quantum Physics · Physics 2021-12-08 Viktor S. Perunicic , Muhammad Usman , Charles D. Hill , Lloyd C. L. Hollenberg

Temperature-induced phase transition in BaTiO3 has been explored using the machine learning analysis of domain morphologies visualized via variable-temperature scanning transmission electron microscopy (STEM) imaging data. This approach is…

Materials Science · Physics 2020-11-20 Mani Valleti , Reinis Ignatans , Sergei V. Kalinin , Vasiliki Tileli

One of the biggest challenges of nanotechnology is the fabrication of nano-objects with perfectly controlled properties. Here we employ a focused laser beam both to characterize and to {\it in-situ} modify single semiconductor structures by…

Materials Science · Physics 2011-11-09 Armando Rastelli , Ata Ulhaq , Suwit Kiravittaya , Lijuan Wang , Artur Zrenner , Oliver G. Schmidt

Three-dimensional electron diffraction (3D ED) has emerged as a powerful method for solving the structures of sub-micron-sized particles down to nanoparticles. However, it faces technical challenges when applied to beam-sensitive samples or…

Artificial intelligence (AI) promises to reshape scientific inquiry and enable breakthrough discoveries in areas such as energy storage, quantum computing, and biomedicine. Scanning transmission electron microscopy (STEM), a cornerstone of…

The exciting possibilities in the field of new quantum technologies extend far beyond the well-reported application of quantum computing. Precision timing, gravity sensors and imagers, cryptography, navigation, metrology, energy harvesting…

Quantum Physics · Physics 2016-08-29 M. J. Everitt , Michael J de C Henshaw , Vincent M Dwyer

Scanning transmission electron microscopy is a common tool used to study the atomic structure of materials. It is an inherently multimodal tool allowing for the simultaneous acquisition of multiple information channels. Despite its…

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