Related papers: Atomic-scale mapping and quantification of local R…
This paper presents a regularized regression model with a two-level structural sparsity penalty applied to locate individual atoms in a noisy scanning transmission electron microscopy image (STEM). In crystals, the locations of atoms is…
The exotic internal structure of polar topologies in multi-ferroic materials offers a rich landscape for materials science research. As the spatial scale of these entities are often sub-atomic in nature, aberration corrected transmission…
A custom apparatus designed to isolate and replicate the spreading process of metal powder in additive manufacturing demonstrates a sudden and unexplained increase in packing density beyond layers 5 to 10. We replicate the experiments that…
We have developed a new optical microscopy technique able to track micron-sized surface clusters as temperature is varied. Potential candidates for study include phase separated metal-insulator materials, ferroelectrics, and porous…
Defects in a material can significantly tune properties and enhance utility. Hybrid functionals like HSE06 are often used to describe solids with such defects. However, geometry optimization (including accounting for effects such as…
In process monitoring, it is common for measurements to be taken regularly or randomly from different spatial locations in two or three dimensions. While there are nonparametric methods for process monitoring with such spatial data to…
Crystals and other condensed phases are defined primarily by their inherent symmetries, which play a crucial role in dictating their structural properties. In crystallization studies, local order parameters (OPs) that describe bond…
The traditional display of elements in the periodic table is convenient for the study of chemistry and physics. However, the atomic number alone is insufficient for training statistical machine learning models to describe and extract…
Formulating order metrics that sensitively quantify the degree of order/disorder in many-particle systems in $d$-dimensional Euclidean space $\mathbb{R}^d$ across length scales is an outstanding challenge in physics, chemistry, and…
The link between changes in the material crystal structure and its mechanical, electronic, magnetic, and optical functionalities - known as the structure-property relationship - is the cornerstone of the contemporary materials science…
We propose a parametrization for two-body nonleptonic $B$ meson decays, in which the various topologies of amplitudes are counted in terms of powers of the Wolfenstein parameter $\lambda\sim 0.22$. The weak phases and the amplitudes are…
A basic principle in crystal structure determination is that there should be proper distances between adjacent atoms. Therefore, detection of atom bumping is of fundamental significance in structure determination, especially in the direct…
Dual-species Rydberg atom arrays extend single-species platforms by introducing competing interaction scales and enhanced quantum fluctuations, enabling phenomena beyond homogeneous settings. In this work, we study the ground-state phase…
Atomic-scale engineering typically involves bottom-up approaches, leveraging parameters such as temperature, partial pressures, and chemical affinity to promote spontaneous arrangement of atoms. These parameters are applied globally,…
Dielectric spectroscopy measurements over a broad range of temperature and pressure were carried out on poly(oxybutylene) (POB), a type-A polymer (dielectrically-active normal mode). There are three dynamic processes appearing at lower…
2D Ruddlesden Popper perovskites have been extensively studied for their exceptional optical and electronic characteristics while only a few studies have shed light on their mechanical properties. The existing literature mainly discusses…
Orbital angular momentum (OAM), a topological degree of freedom of light, is theoretically invariant under continuous deformations; yet, its physical observability degrades precipitously in complex media, creating a fundamental…
Here we explore the use of scanning electron diffraction coupled with electron atomic pair distribution function analysis (ePDF) to understand the local order as a function of position in a complex multicomponent system, a hot rolled,…
The recently introduced nested sampling algorithm allows the direct and efficient calculation of the partition function of atomistic systems. We demonstrate its applicability to condensed phase systems with periodic boundary conditions by…
Contemporary material characterisation techniques that leverage deformation fields and the weak form of the equilibrium equations face challenges in the numerical solution procedure of the inverse characterisation problem. As material…