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Crystal structure prediction has been a subject of topical interest, but remains a substantial challenge, especially for complex structures as it deals with the global minimization of the extremely rugged high-dimensional potential energy…

材料科学 · 物理学 2022-01-26 Xuecheng Shao , Jian Lv , Peng Liu , Sen Shao , Pengyue Gao , Hanyu Liu , Yanchao Wang , Yanming Ma

The nanoparticle size and distribution information in the SEM images of silicon crystals are generally counted by manual methods. The realization of automatic machine recognition is significant in materials science. This paper proposed a…

计算机视觉与模式识别 · 计算机科学 2022-06-07 Ruiling Xiao , Jiayang Niu

Cryo-electron microscopy (Cryo-EM) enables high-resolution imaging of biomolecules, but structural heterogeneity remains a major challenge in 3D reconstruction. Traditional methods assume a discrete set of conformations, limiting their…

机器学习 · 统计学 2025-09-09 Diego Sanchez Espinosa , Erik H Thiede , Yunan Yang

The hydrogen-terminated Silicon(100)-2x1 surface (H-Si(100)-2x1) provides a promising platform for the development of atom scale devices, with recent work showing their creation through precise desorption of surface hydrogen atoms. While…

材料科学 · 物理学 2020-09-21 Jeremiah Croshaw , Thomas Dienel , Taleana Huff , Robert A. Wolkow

The 10-nm-scale structure in silicon cleavage is studied by the quantum mechanical calculations for large-scale electronic structure. The cleavage process on the order of 10 ps shows surface reconstruction and step formation. These…

材料科学 · 物理学 2007-05-23 Takeo Hoshi , Yusuke Iguchi , Takeo Fujiwara

Scanning tunneling luminescence microscopy (STLM) along with scanning tunneling spectroscopy (STS) is applied to a step-bunched, oxidized 4H-SiC surface prepared on the silicon face of a commercial, n-type SiC wafer using a silicon melt…

Structured Illumination Microscopy (SIM) is an imaging technique for achieving both super-resolution (SR) and optical sectioning (OS) in wide-field microscopy. It consists in illuminating the sample with periodic patterns at different…

The 7\times7 reconstruction of the Si(111) surface represents arguably the most fascinating surface reconstruction so far observed in nature. Yet, the atomistic mechanism underpinning its formation remains unclear after it was discovered…

材料科学 · 物理学 2021-05-05 Lin Hu , Bing Huang , Feng Liu

Particle-based shape modeling (PSM) is a popular approach to automatically quantify shape variability in populations of anatomies. The PSM family of methods employs optimization to automatically populate a dense set of corresponding…

计算机视觉与模式识别 · 计算机科学 2024-11-26 Hong Xu , Shireen Y. Elhabian

Structured Illumination Microscopy is a widespread methodology to image live and fixed biological structures smaller than the diffraction limits of conventional optical microscopy. Using recent advances in image up-scaling through deep…

图像与视频处理 · 电气工程与系统科学 2021-02-19 Miguel Boland , Edward A. K. Cohen , Seth Flaxman , Mark A. A. Neil

Controlling the surface structure on the atomic scale is a major difficulty for most transition metal oxides; this is especially true for the ternary perovskites. The influence of surface stoichiometry on the atomic structure of the…

材料科学 · 物理学 2018-04-13 Stefan Gerhold , Zhiming Wang , Michael Schmid , Ulrike Diebold

In this work we investigate the practicality of stochastic gradient descent and recently introduced variants with variance-reduction techniques in imaging inverse problems. Such algorithms have been shown in the machine learning literature…

最优化与控制 · 数学 2021-01-26 Junqi Tang , Karen Egiazarian , Mohammad Golbabaee , Mike Davies

Machine Learning (ML) techniques are revolutionizing the way to perform efficient materials modeling. Nevertheless, not all the ML approaches allow for the understanding of microscopic mechanisms at play in different phenomena. To address…

Scanning tunneling microscopy (STM) is a powerful technique for imaging atomic structure and inferring information on local elemental composition, chemical bonding, and electronic excitations. However, traditional methods of visual…

超导电性 · 物理学 2023-02-21 Qiang Zou , Basu Dev Oli , Huimin Zhang , Joseph Benigno , Xin Li , Lian Li

We have developed a powerful method for crystal structure prediction from "scratch" through particle swarm optimization (PSO) algorithm within the evolutionary scheme. PSO technique is dramatically different with the genetic algorithm and…

材料科学 · 物理学 2012-05-11 Yanchao Wang , Jian Lv , Li Zhu , Yanming Ma

The reconstruction of an object's shape or surface from a set of 3D points plays an important role in medical image analysis, e.g. in anatomy reconstruction from tomographic measurements or in the process of aligning intra-operative…

We present a robust but still efficient simulation approach for high-resolution scanning tunneling microscopy with a flexible tip apex showing sharp submolecular features. The approach takes into account the electronic structure of sample…

介观与纳米尺度物理 · 物理学 2017-01-11 O. Krejci , P. Hapala , M. Ondracek , P. Jelinek

Block-sparse regularization is already well-known in active thermal imaging and is used for multiple measurement based inverse problems. The main bottleneck of this method is the choice of regularization parameters which differs for each…

计算机视觉与模式识别 · 计算机科学 2024-10-30 Samim Ahmadi , Jan Christian Hauffen , Linh Kästner , Peter Jung , Giuseppe Caire , Mathias Ziegler

Scanning Tunneling Microscopy (STM) is a powerful technique that utilizes quantum tunneling to visualize atomic surfaces with high precision. This study presents detailed topographic maps and evaluates the local density of states (LDOS) for…

介观与纳米尺度物理 · 物理学 2024-02-19 Dhananjay Saikumar

Microstructure reconstruction is a key enabler of process-structure-property linkages, a central topic in materials engineering. Revisiting classical optimization-based reconstruction techniques,they are recognized as a powerful framework…

材料科学 · 物理学 2021-03-19 Paul Seibert , Marreddy Ambati , Alexander Raßloff , Markus Kästner