Related papers: A Python-Based Approach to Sputter Deposition Simu…
Magnetron sputtering is a widely used physical vapor deposition technique. Reactive sputtering is used for the deposition of, e.g, oxides, nitrides and carbides. In fundamental research, versatility is essential when designing or upgrading…
Self-driving labs (SDLs), employing automation and machine learning (ML) to accelerate experimental procedures, have enormous potential in the discovery of new materials. However, in thin film science, SDLs are mainly restricted to…
Combinatorial sputtering is a physical vapor deposition method that enables the high-throughput synthesis of compositionally varied thin films. Using this technique, the effects of stoichiometry on specific properties of alloy thin films…
The development of sputtering facilities, at the moment, is mainly pursued through experimental tests, or simply by expertise in the field, and relies much less on numerical simulation of the process environment. This leads to great efforts…
Quantum materials research requires co-design of theory with experiments and involves demanding simulations and the analysis of vast quantities of data, usually including pattern recognition and clustering. Artificial intelligence is a…
A magnetron sputtering method for the production of thin-film libraries with a spatially varying composition, x, in Bi2Sr2Ca1-xYxCu2Oy (0<=x<=0.5) has been developed. Two targets with a composition of Bi2Sr2YCu2O_{8.5 + \delta} and…
Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files and realistic starting coordinates for these simulations is…
SIMNRA is widely adopted by the scientific community of ion beam analysis for interpretation of nuclear scattering analysis. Taking advantage of its recognized reliability and quality of the simulations, we developed a computer program that…
This work is the second part of a simulation study investigating the processing of densely packed and moving granular assemblies by positron emission particle tracking (PEPT). Since medical PET scanners commonly used for PEPT are very…
We report on the realization of a sputter deposition system for the in situ- and in operando-use in polarized neutron reflectometry experiments. Starting with the scientific requirements, which define the general design considerations, the…
Magnetron sputtering is a perfect technique for processing nanomaterials for engineering and medical applications. A material can be processed with specific mechanical properties, microstructure, and surface texture by controlling the…
Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as…
Thin film processing by means of sputter deposition inherently depends on the interaction of energetic particles with a target surface and the subsequent particle transport. The length and time scales of the underlying physical phenomena…
Machine learning promises to deliver powerful new approaches to neutron scattering from magnetic materials. Large scale simulations provide the means to realise this with approaches including spin-wave, Landau Lifshitz, and Monte Carlo…
For over three decades, scanning probe microscopy (SPM) has been a key method for exploring material structures and functionalities at nanometer and often atomic scales in ambient, liquid, and vacuum environments. Historically, SPM…
We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…
An open source software package for simulating thermal neutron propagation in geometry is presented. In this system, neutron propagation can be treated by either the particle transport method or the ray-tracing method. Supported by an…
SMUTHI is a python package for the efficient and accurate simulation of electromagnetic scattering by one or multiple wavelength-scale objects in a planarly layered medium. The software combines the T-matrix method for individual particle…
Studying high-energy collisions of composite particles, such as hadrons and nuclei, is an outstanding goal for quantum simulators. However, preparation of hadronic wave packets has posed a significant challenge, due to the complexity of…
Simulations with high accuracy are an essential part of scientific research to accelerate the innovation process. They are especially useful for finding novel approaches or optimizing existing methods. Today, powerful software tools are…