Related papers: Phase Space Sketching for Crystal Image Analysis b…

The core theme of X-ray crystallography is reconstructing the electron density distribution of crystals under the constraints of observed diffraction data. Nevertheless, the reconstruction of electron density distribution by straightforward…

Crystal structures can be viewed as assemblies of space-filling polyhedra, which play a critical role in determining material properties such as ionic conductivity and dielectric constant. However, most conventional crystal structure…

The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either…

Non-linear photonic crystals can be used to provide phase-matching for frequency conversion in optically isotropic materials. The phase-matching mechanism proposed here is a combination of form birefringence and phase velocity dispersion in…

Dense packing of particles has provided important models to study the structure of matter in various systems such as liquid, glassy and crystalline phase, etc. The simplest sphere packing models are able to represent and capture salient…

We propose and demonstrate a simple method to accurately monitor and program arbitrary states of partial crystallization in phase-change materials (PCMs). The method relies both on the optical absorption in PCMs as well as on the physics of…

Ptychography is a promising phase retrieval technique for visible light, X-ray and electron beams. Conventional ptychography reconstructs the amplitude and phase of an object light from a set of the diffraction intensity patterns obtained…

We show that the symmetries of image formation by scattering enable graph-theoretic manifold-embedding techniques to extract structural and timing information from simulated and experimental snapshots at extremely low signal. The approach…

Finding an optimal match between two different crystal structures underpins many important materials science problems, including describing solid-solid phase transitions, developing models for interface and grain boundary structures. In…

Polarizing microscopy brought about many advancements in the science of liquid crystals and other soft materials, including those of biological origin. Recent developments in optics and computer-based analysis enabled a new generation of…

Ptychography is an enabling coherent diffraction imaging technique for both fundamental and applied sciences. Its applications in optical microscopy, however, fall short for its low imaging throughput and limited resolution. Here, we report…

Atomic-level modeling performed at large scales enables the investigation of mesoscale materials properties with atom-by-atom resolution. The spatial complexity of such cross-scale simulations renders them unsuitable for simple human visual…

We introduce CrystalFormer, a transformer-based autoregressive model specifically designed for space group-controlled generation of crystalline materials. By explicitly incorporating space group symmetry, CrystalFormer greatly reduces the…

Micrometre sized colloidal particles can be viewed as large atoms with tailorable size, shape and interactions. These building blocks can assemble into extremely rich structures and phases, in which the thermal motions of particles can be…

Predicting which hypothetical inorganic crystals can be experimentally realized remains a central challenge in accelerating materials discovery. SyntheFormer is a positive-unlabeled framework that learns synthesizability directly from…

In crystallography, a structure is typically represented by the arrangement of atoms in the direct space. Furthermore, space group symmetry and Wyckoff site notations are applied to characterize crystal structures with only a few variables.…

X-ray diffraction (XRD) is an essential technique to determine a material's crystal structure in high-throughput experimentation, and has recently been incorporated in artificially intelligent agents in autonomous scientific discovery…

The Synchrosqueezing transform is a time-frequency analysis method that can decompose complex signals into time-varying oscillatory components. It is a form of time-frequency reassignment that is both sparse and invertible, allowing for the…

We investigate the use of quasicrystals in image sampling. Quasicrystals produce space-filling, non-periodic point sets that are uniformly discrete and relatively dense, thereby ensuring the sample sites are evenly spread out throughout the…

With the increasing diversity in material systems, ever-expanding number of analysis techniques, and the large capital costs of next generation instruments the ability to quickly and efficiently collect data in the electron microscope has…