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Computer simulations based on statistical methods have emerged as a powerful tool for studying structure-property relationships at the atomistic level. However, to provide reliable insights into materials in realistic conditions, it is essential to accurat ...
EPFL2023
One of the main goals of organometallic chemistry in the last decades was the activation of small molecule in mild reaction conditions. Even though multiple examples of catalytic cycles able to produce fine chemicals from cheap and abundant sources using t ...
File formats are described in read_me files in the concerning folder. For plotting and data evaluation, Python 2.7 was used. Example scripts for plotting are provided. ...
Secondary electron emission is an important process that plays a significant role in several plasma-related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliabl ...
WILEY-V C H VERLAG GMBH2023
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Alloys composed of several elements in roughly equimolar composition, often referred to as high-entropy alloys, have long been of interest for their thermodynamics and peculiar mechanical properties, and more recently for their potential application in cat ...
We introduce the elliptical Ornstein-Uhlenbeck (OU) process, which is a generalisation of the well-known univariate OU process to bivariate time series. This process maps out elliptical stochastic oscillations over time in the complex plane, which are obse ...
Undesirable natural aging (NA) in Al-6xxx delays subsequent artificial aging (AA) but the size, composition, and evolution of clustering are challenging to measure. Here, atomistic details of early-stage clustering in Al-1% Mg-0.6%Si during NA are studied ...
Heidelberg2023
The seismic assessment of historical unreinforced masonry buildings is a challenging task, because of their vulnerability to earthquakes and the uncertainties about the material properties. This work studies the case of the Kapela Sveti Nikola, a chapel in ...
The interplay of topological characteristics in real space and reciprocal space can lead to the emergence of unconventional topological phases. In this Letter, we implement a novel mechanism for generating higher-Chern flat bands on the basis of twisted bi ...
We investigate the response of the free liquid surface in a partially filled circular cylindrical container undergoing a planar elliptic and time-periodic orbit while maintaining fixed its orientation. For small forcing amplitudes and deep liquid layers, w ...