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Grain boundaries (GBs) are planar lattice defects that govern the properties of many types of polycrystalline materials. Hence, their structures have been investigated in great detail. However, much less is known about their chemical…

Advanced Persistent Threats (APTs) pose a significant security risk to organizations and industries. These attacks often lead to severe data breaches and compromise the system for a long time. Mitigating these sophisticated attacks is…

Cryptography and Security · Computer Science 2025-08-04 Ehsan Hallaji , Roozbeh Razavi-Far , Mehrdad Saif

Atomic force microscopy (AFM or SPM) imaging is one of the best matches with machine learning (ML) analysis among microscopy techniques. The digital format of AFM images allows for direct utilization in ML algorithms without the need for…

Biological Physics · Physics 2025-01-07 Igor Sokolov

In the last decade, a new class of cyber-threats has emerged. This new cybersecurity adversary is known with the name of "Advanced Persistent Threat" (APT) and is referred to different organizations that in the last years have been "in the…

Cryptography and Security · Computer Science 2018-10-18 Giuseppe Laurenza , Riccardo Lazzeretti , Luca Mazzotti

Accurate determination of three-dimensional (3D) atomic structures is crucial for understanding and controlling the properties of nanomaterials. Atomic electron tomography (AET) offers non-destructive atomic imaging with picometer-level…

Materials Science · Physics 2025-06-23 Juhyeok Lee , Yongsoo Yang

Laser enhanced field evaporation of surface atoms in Laser-assisted Atom Probe Tomography (La-APT) can simultaneously excite phtotoluminescence in semiconductor or insulating specimens. An atom probe equipped with appropriate focalization…

Personalizing diffusion models using limited data presents significant challenges, including overfitting, loss of prior knowledge, and degradation of text alignment. Overfitting leads to shifts in the noise prediction distribution,…

Computer Vision and Pattern Recognition · Computer Science 2025-07-04 JungWoo Chae , Jiyoon Kim , JaeWoong Choi , Kyungyul Kim , Sangheum Hwang

Atom probe tomography is often introduced as providing "atomic-scale" mapping of the composition of materials and as such is often exploited to analyse atomic neighbourhoods within a material. Yet quantifying the actual spatial performance…

Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

Chemical Physics · Physics 2019-05-22 Michele Ceriotti

Atom probe tomography is frequently employed to characterize the elemental distribution in solids with atomic resolution. Here we review and discuss the potential of this technique to locally probe chemical bonds. Two processes characterize…

Atom probe tomography (APT) helps elucidate the link between the nanoscale chemical variations and physical properties, but it has limited structural resolution. Field ion microscopy (FIM), a predecessor technique to APT, is capable of…

As the atomistic simulations of materials science move from traditional potentials to machine learning interatomic potential (MLIP), the field is entering the second phase focused on discovering and explaining new material phenomena. While…

Materials Science · Physics 2025-01-27 Musanna Galib , Mewael Isiet , Mauricio Ponga

Imaging of liquids and cryogenic biological materials by electron microscopy has been recently enabled by innovative approaches for specimen preparation and the fast development of optimised instruments for cryo-enabled electron microscopy…

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…

Optical projection tomography (OPT) is a powerful tool for biomedical studies. It achieves 3D visualization of mesoscopic biological samples with high spatial resolution using conventional tomographic-reconstruction algorithms. However,…

Computer Vision and Pattern Recognition · Computer Science 2023-10-02 Yan Liu , Jonathan Dong , Thanh-An Pham , Francois Marelli , Michael Unser

Atomically Precise Manufacturing (APM) refers to the assembly of materials with atomic precision, representing a highly advanced technology with significant potential. However, the development of APM remains in its early stages, with…

Emerging Technologies · Computer Science 2024-09-04 Vadym Shvydun , Justin Sato , Gabriel Bristot

Single atomic sites often determine the functionality and performance of materials, such as catalysts, semi-conductors or enzymes. Computing and understanding the properties of such sites is therefore a crucial component of the rational…

Optical projection tomography (OPT) is a powerful tool for biomedical studies. It achieves 3D visualization of mesoscopic biological samples with high spatial resolution using conventional tomographic-reconstruction algorithms. However,…

Optics · Physics 2025-02-07 Yan Liu , Jonathan Dong , Thanh-an Pham , François Marelli , Michael Unser

Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…

Chemical Physics · Physics 2020-12-09 Félix Musil , Michele Ceriotti