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Model order reduction for compressible flows solved using the discontinuous Galerkin methods

Jan Sickmann Hesthaven

Projection-based reduced order models (ROM) based on the weak form and the strong form of the discontinuous Galerkin (DG) method are proposed and compared for shock-dominated problems. The incorporation of dissipation components of DG in a consistent manne ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2022

Analytics at the nanometer and nanosecond scales by short electron pulses in an electron microscope

Thomas La Grange

Chemical reactions and phase transformations in nanometer-size objects may happen at very short timescales, so conventional characterization tools are not applicable. A new technique combining high spatial and temporal resolution is ultrafast (or dynamic) ...

SPRINGER2022

Ru tailored hydrous cobalt phosphate as a rational approach for high-performance alkaline oxygen evolution reaction

Mohammad Khaja Nazeeruddin

The water splitting is an appealing approach to fulfil the demand of energy without any global concerns. The oxygen evolution reaction is one of way to achieve unlimited energy from water but the low stability, high energy required to drive the reaction (o ...

ELSEVIER SCI LTD2022

Meso-scale finite element modeling of Alkali-Silica-Reaction

Jean-François Molinari, Emil Gallyamov, Roozbeh Rezakhani

The Alkali-Silica Reaction (ASR) in concrete is a chemical reaction, which produces an expansive product, generally called “ASR gel”, and causes cracking and damage in concrete over time. Affecting numerous infrastructures all around the world, ASR has bee ...

2021

Study of He/Ne+Ar, Kr, N2, H2, D2 Chemi-Ionization Reactions by Electron Velocity-Map Imaging

Andreas Osterwalder, Junwen Zou, Sean Dennis Steven Gordon, Silvia Tanteri

The chemi-ionization of Ar, Kr, N2, H2, and D2 by Ne(3P2) and of Ar, Kr, and N2 by He(3S1) was studied by electron velocity map imaging (e-VMI) in a crossed molecular beam experiment. A curved magnetic hexapole was used to state-select the metastable speci ...

2021

Studies of cold chemistry in crossed and merged neutral beams

Silvia Tanteri

In this thesis we present the design of two setups to study low-energy collisions between neutral species: an electron velocity map imaging for chemi-ionisation reactions and a merged electrostatic guide for polar molecules scattering. In the past few yea ...

EPFL2021

Development of remote C-H bond functionalization of redox-active alcohol derivatives and oxidative transformations under photoredox catalysis

Alexandre Julien Florent Leclair

The development of radical-based remote C(sp3)-H functionalizations of redox-active alcohol derivatives, oxidative cycloaddition and rearrangement transformations under visible light photocatalysis constitute the basis of this thesis. The first chapter des ...

EPFL2021

Molecular Volcano Plots: Tools for Rationalizing and Predicting the Performance of Homogeneous Catalysts

Boodsarin Sawatlon

The generation of catalyst design tools is important for developing both economically and environmentally friendly reactions. This thesis focuses on the use and development of such a tool, molecular volcano plots, which have the ability to estimate catalyt ...

EPFL2021

Colloidal Nanocrystals as Precursors and Intermediates in Solid State Reactions for Multinary Oxide Nanomaterials

Raffaella Buonsanti, Anna Loiudice, Valeria Mantella

Polyelemental compounds with dimensions in the nanosized regime are desirable in a large variety of applications, yet their synthesis remains a general challenge in chemistry. One of the major bottlenecks to obtaining multinary systems is the complexity of ...

American Chemical Society2021

Asymmetric Elimination Reaction on Chiral Metal Surfaces

Harald Brune, Samuel Thomas Stolz

The production of enantiopure materials and molecules is of uttermost relevance in research and industry in numerous contexts, ranging from nonlinear optics to asymmetric synthesis. In the context of the latter, dehalogenation, which is an essential reacti ...

Wiley-V C H Verlag Gmbh2021

Infrared Activities of Adsorbed Species on Metal Surfaces: The Puzzle of Adsorbed Methyl (CH3)

Rainer Beck, Harmina Vejayan

Reflection–absorption infrared spectroscopy (RAIRS) is widely used to identify molecular adsorbates on metals during surface chemical reactions, but the interpretation of RAIRS data can be difficult with experiment alone. Here, we reveal from first-princip ...

2021

Static and Dynamic Self-Assembly of Pearl-Like-Chains of Magnetic Colloids Confined at Fluid Interfaces

Ignacio Pagonabarraga Mora

Magnetic colloids adsorbed at a fluid interface are unique model systems to understand self-assembly in confined environments, both in equilibrium and out of equilibrium, with important potential applications. In this work the pearl-chain-like self-assembl ...

2021