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Composition and Pressure Effects on Partitioning of Ferrous Iron in Iron-Rich Lower Mantle Heterogeneities

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Precipitation, Characterization, Kinetic, and Thermodynamic Modelling of Synthetic C-S-H Systems (C-S-H, CASH, CSH+$)

Maya Nicole Harris

This thesis investigates the effects of aluminates, sulfates, and heterogeneous substrates on the nucleation and growth of synthetic calcium-silicate-hydrates (C-S-H) produced by dropwise precipitation. The use of synthetic C-S-H, separate from other cemen ...

EPFL2022

Temperature Dependent Properties of the Aqueous Electron

Alfredo Pasquarello, Jinggang Lan

The temperature-dependent properties of the aqueous electron have been extensively studied using mixed quantum-classical simulations in a wide range of thermodynamic conditions based on one-electron pseudopotentials. While the cavity model appears to expla ...

Wiley-VCH Verlag GmbH2022

Controlling surface effects in extremely high aspect ratio gold plasmonic electrodes

Olivier Martin, Christian Santschi, Marco Riccardi

Nanofabrication is key to many technological advances, especially the challenge of merging nanophotonics with electronics. Here, we investigate the fabrication process of plasmonic interdigitated gold electrodes having a very high aspect ratio (i.e. long a ...

ELSEVIER2022

Thermodynamics of organic electrochemical transistors

Matteo Cucchi

Though models describing the operating mechanism of organic electrochemical transistors (OECTs) have been developed, these models are unable to accurately reproduce OECT electrical characteristics. Here, the authors report a thermodynamic-based framework t ...

Nature Portfolio2022

The Effects of Planetary and Stellar Parameters on Brittle Lithospheric Thickness

Marie Estelle Solange Violay, Michael Heap

The thicknesss of the brittle lithosphere—the outer portion of a planetary body that fails via fracturing— plays a key role in the geological processes of that body. The properties of both a planet and its host star can influence that thickness, and the po ...

2021

Processing and micro-mechanical characterization of multi-component transition MC carbides in iron

Andreas Mortensen, Léa Deillon, Goran Zagar, Marta Fornabaio, Lionel Michelet

We prepare multi-component transition monocarbides of chosen composition by arc-melting together a pre-alloy of the transition metals and cast iron. Based on the elements Ti, Ta, V, Nb and W, 51 different binary, ternary and quaternary compositions are pro ...

2021

Thermodynamic modelling of hydrogen production in sorbent-enhanced biochar-direct chemical looping process

Zezhong Li

Hydrogen (H-2) has been widely considered the clean energy carrier of choice for emerging renewable energy generation technologies. However, H-2 is a secondary fuel mainly derived from natural gas. Over the past decades, research on developing H-2 producti ...

2022

Origin of the Co‐Seismic Variations of Elastic Properties in the Crust: Insight From the Laboratory

Marie Estelle Solange Violay, François Xavier Thibault Passelègue, Mateo Alejandro Acosta, Federica Paglialunga

Seismological observations highlighted that earthquakes are often followed by changes in elastic properties around the fault zone. Here, we studied the origin of these variations using stick-slip experiments on saw-cut granite samples presenting different ...

2021

Unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials

Nicola Marzari, Tommaso Chiarotti

Dynamical potentials appear in many advanced electronic-structure methods, including self-energies from many-body perturbation theory, dynamical mean-field theory, electronic-transport formulations, and many embedding approaches. Here, we propose a novel t ...

AMER PHYSICAL SOC2022

Femtosecond laser-shockwave induced densification in fused silica

Yves Bellouard, Pieter Vlugter, Arunkrishnan Radhakrishnan, Julien Gilles Edgar Gateau

A tightly focused femtosecond laser-beam in the non-ablative regime can induce a shockwave sufficiently intense to reach local pressures in the giga-Pascal range or more. In a single beam configuration, the location of the highest-pressure zone is nested w ...

2022

Uncertainty estimation for molecular dynamics and sampling

Yongbin Zhuang, Michele Ceriotti, Kevin Rossi, Venkat Kapil, Federico Grasselli, Giulio Imbalzano, Edgar Albert Engel

Machine-learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale, and complexity. Given the interpolative nature of these models, the r ...

2021

Aggregate dissolution in different pore solutions

Mahsa Bagheri

The occurrence of cracking due to alkali silica reaction (ASR) affects the service life of concrete structures. The dissolution of silica-containing minerals within aggregates causes the formation of ASR products, which fill macroscopic cracks and cause th ...

EPFL2021

Iron incorporation in synthetic precipitated calcium silicate hydrates

David Lyndon Emsley, Paul Bowen, Brennan James Walder, Jirawan Siramanont

Effect of Fe3+ on the precipitation of synthetic calcium silicate hydrates (C-S-H) under controlled conditions has been evaluated. Using extremely basic either initial calcium nitrate or sodium silicate solutions (pH > 11), incipient formation of ferrihydr ...

Pergamon-Elsevier Science Ltd2021

Investigating Magma Ocean Solidification on Earth Through Laser‐Heated Diamond Anvil Cell Experiments

Cécile Hébert, Marco Cantoni, Philippe Gillet, James Badro, Farhang Nabiei, Charles-Edouard Boukaré

We carried out a series of silicate fractional crystallization experiments at lower mantle pressures using the laser-heated diamond anvil cell. Phase relations and the compositional evolution of the cotectic melt and equilibrium solids along the liquid lin ...

2021