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Data-driven machine learning methods have the potential to dramatically accelerate the rate of materials design over conventional human-guided approaches. These methods would help identify or, in the case of generative models, even create…

Materials Science · Physics 2022-07-28 Victor Fung , Shuyi Jia , Jiaxin Zhang , Sirui Bi , Junqi Yin , P. Ganesh

Techniques for training artificial neural networks (ANNs) and convolutional neural networks (CNNs) using simulated dynamical electron diffraction patterns are described. The premise is based on the following facts. First, given a suitable…

Mesoscale and Nanoscale Physics · Physics 2021-03-08 Renliang Yuan , Jiong Zhang , Lingfeng He , Jian-Min Zuo

Analyzing atomically resolved images is a time-consuming process requiring solid experience and substantial human intervention. In addition, the acquired images contain a large amount of information such as crystal structure, presence and…

Many properties of commonly used materials are driven by their microstructure, which can be influenced by the composition and manufacturing processes. To optimise future materials, understanding the microstructure is critically important.…

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…

Progress in functional materials discovery has been accelerated by advances in high throughput materials synthesis and by the development of high-throughput computation. However, a complementary robust and high throughput structural…

Materials Science · Physics 2021-11-30 Jiadong Dan , Xiaoxu Zhao , Shoucong Ning , Jiong Lu , Kian Ping Loh , N. Duane Loh , Stephen J. Pennycook

The recent development of electron sensitive and pixelated detectors has attracted the use of four-dimensional scanning transmission electron microscopy (4D-STEM). Here, we present a precession electron diffraction assisted 4D-STEM…

Instrumentation and Detectors · Physics 2021-10-04 Jiwon Jeong , Niels Cautaerts , Gerhard Dehm , Christian H. Liebscher

As computers get faster, researchers -- not hardware or algorithms -- become the bottleneck in scientific discovery. Computational study of colloidal self-assembly is one area that is keenly affected: even after computers generate massive…

Soft Condensed Matter · Physics 2018-03-28 Matthew Spellings , Sharon C Glotzer

We recently developed a deep learning method that can determine the critical peak stress of a material by looking at scanning electron microscope (SEM) images of the material's crystals. However, it has been somewhat unclear what kind of…

Image and Video Processing · Electrical Eng. & Systems 2021-11-09 Ian A. Palmer , T. Nathan Mundhenk , Brian Gallagher , Yong Han

The nature of stacking faults - whether intrinsic or extrinsic - plays a pivotal role in defect-mediated processes in crystalline materials. Yet, current electron microscopy techniques for their reliable analysis remain limited to either…

Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…

Computational Engineering, Finance, and Science · Computer Science 2026-02-11 Zhenzhong Wang , Haowei Hua , Wanyu Lin , Ming Yang , Kay Chen Tan

Atom arrangement plays a critical role in determining material properties. It is, therefore, essential for materials science and engineering to identify and characterize distinct atom configurations. Currently, crystal structures can be…

Materials Science · Physics 2023-10-18 Rafał Abram , Dariusz Chrobak

Atomic structure analysis of crystalline materials is a paramount endeavor in both chemical and material sciences. This sophisticated technique necessitates not only a solid foundation in crystallography but also a profound comprehension of…

Machine Learning · Computer Science 2026-04-27 Kaipeng Zheng , Weiran Huang , Wanli Ouyang , Han-Sen Zhong , Yuqiang Li

Recent advances in scanning transmission electron and scanning tunneling microscopies allow researchers to measure materials structural and electronic properties, such as atomic displacements and charge density modulations, at an Angstrom…

Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient…

Image and Video Processing · Electrical Eng. & Systems 2019-01-15 Xin Li , Ondrej E. Dyck , Mark P. Oxley , Andrew R. Lupini , Leland McInnes , John Healy , Stephen Jesse , Sergei V. Kalinin

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…

Development in lattice strain mapping using four-dimensional scanning transmission electron microscopy (4D-STEM) method now offers improved precision and feasibility. However, automatic and accurate diffraction analysis is still challenging…

Materials Science · Physics 2022-01-04 Sihan Wang , Tim Eldred , Jacob Smith , Wenpei Gao

Scanning transmission electron microscopy (STEM) allows for imaging, diffraction, and spectroscopy of materials on length scales ranging from microns to atoms. By using a high-speed, direct electron detector, it is now possible to record a…

We introduce a machine learning approach to determine the transition dynamics of silicon atoms on a single layer of carbon atoms, when stimulated by the electron beam of a scanning transmission electron microscope (STEM). Our method is…

Material properties strongly depend on the nature and concentration of defects. Characterizing these features may require nano- to atomic-scale resolution to establish structure-property relationships. 4D-STEM, a technique where diffraction…

Materials Science · Physics 2023-05-03 Stephanie M. Ribet , Colin Ophus , Roberto dos Reis , Vinayak P. Dravid