Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table
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This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX2 (where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...
Two-dimensional (2D) transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as 1T and 1H, depending on the coordination sphere of the transition metal atom. The broken octahedral and trigonal prismatic symmetries lead to different cry ...
A hypervelocity (6.7–7.0 km/s) impact testing campaign was conducted using Ø 2 mm, 95% Al projectiles onto A357 aluminium alloy stochastic foams with 4–5 mm typical pore dimensions, or alternatively diamond cubic periodic structures of cast AlSi12 with a 6 ...
The design of a microvascular flow network embedded in an actively-cooled polymeric material is presented. A multi-objective Genetic Algorithm (GA) combined with the finite element method is first used to determine the quasi-optimized network configuration ...
The ground and excited electronic states are responsible for several materials' properties. The modern capability of rapidly solving on a computer the fundamental equations of relativistic or semi-relativistic quantum mechanics allows to compute the electr ...
Gold and copper are the only two elemental metals that show a characteristic colour, due to the presence of a drop in the reflectivity curve inside the visible range. Reflectivities of all other metals are in general high and flat for all visible frequenci ...
Moiré effects appear when two sets of periodic structures are superimposed. By combining advanced micro-fabrication technologies and the moiré theory, we are able to obtain visually appealing moirés. Specific metallic patterns are created on one side of a ...
Beyond the second row of the periodic table, the nature of the multiple bonds between the elements of the main groups remains yet elusive, and "non-classical" bonding schemes are often invoked for their description. Here, focusing on group 14, we have perf ...
Rivers in mountainous areas are subject to cyclic perturbations due for instance to summer storms or daily variations in snowmelt. Such phenomena cause successive floods occurring under very similar forcing conditions. However, as shown by several field st ...
Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes it possible to im ...
