Related papers: Extending Continuum Models for Atom Probe Simulati…
Atom probe tomography (APT) is extensively used to measure the local chemistry of materials. Site-specific preparation via a focused ion beam (FIB) is routinely implemented to fabricate needle-shaped specimens with an end radius in the…
Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…
We present an advanced scanning probe microscopy system enhanced with artificial intelligence (AI-SPM) designed for self-driving atomic-scale measurements. This system expertly identifies and manipulates atomic positions with high…
We report initial research to develop a compact and practical primary thermometer based on Doppler broadening thermometry (DBT). The DBT sensor uses an intrinsic property of thermalized atoms, namely, the Doppler width of a spectral line…
Recent studies have focused on enhancing the performance of 3D object detection models. Among various approaches, ground-truth sampling has been proposed as an augmentation technique to address the challenges posed by limited ground-truth…
Geometry optimization is an important part of both computational materials and surface science because it is the path to finding ground state atomic structures and reaction pathways. These properties are used in the estimation of…
An overview of computational methods to describe high-dimensional potential energy surfaces suitable for atomistic simulations is given. Particular emphasis is put on accuracy, computability, transferability and extensibility of the methods…
The computer simulation of many molecular processes is complicated by long time scales caused by rare transitions between long-lived states. Here, we propose a new approach to simulate such rare events, which combines transition path…
In order to determine the 3D structure of a thick sample, researchers have recently combined ptychography (for high resolution) and tomography (for 3D imaging) in a single experiment. 2-step methods are usually adopted for reconstruction,…
Learning to assemble geometric shapes into a larger target structure is a pivotal task in various practical applications. In this work, we tackle this problem by establishing local correspondences between point clouds of part shapes in both…
Simulation is widely adopted in the study of modern computer networks. In this context, OMNeT++ provides a set of very effective tools that span from the definition of the network, to the automation of simulation execution and quick result…
Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and engineering. In this work, we show that compressed sensing can…
Proton radiography is a useful diagnostic of high energy density (HED) plasmas under active theoretical and experimental development. In this paper we describe a new simulation tool that interacts realistic laser-driven point-like proton…
Advances in atomic resolution in situ environmental transmission electron microscopy for direct probing of gas-solid reactions, including at very high temperatures are described. In addition, recent developments of dynamic real time in situ…
This paper proposes a level set-based method for optimizing shell structures with large design changes in shape and topology. Conventional shell optimization methods, whether parametric or nonparametric, often only allow limited design…
Particle discretizations of partial differential equations are advantageous for high-dimensional kinetic models in phase space due to their better scalability than continuum approaches with respect to dimension. Complex processes…
High-dimensional quantum information processing has become a mature field of research with several different approaches being adopted for the encoding of $D$-dimensional quantum systems. Such progress has fueled the search of reliable…
This paper addresses the issue of building a part-based representation of a dataset of images. More precisely, we look for a non-negative, sparse decomposition of the images on a reduced set of atoms, in order to unveil a morphological and…
The Atomic Cluster Expansion (Drautz, Phys. Rev. B 99, 2019) provides a framework to systematically derive polynomial basis functions for approximating isometry and permutation invariant functions, particularly with an eye to modelling…
This study combines simulated annealing with delta evaluation to solve the joint stratification and sample allocation problem. In this problem, atomic strata are partitioned into mutually exclusive and collectively exhaustive strata. Each…