Publications associées à Calculation in kind

Computation of sensitivity coefficients in fixed source simulations with SERPENT2

Within the scope of the implementation of a nuclear data pipeline aiming at producing the best possible evaluated nuclear data files, a major point is the production of relevant sensitivity coefficients when including integral benchmark information. Thanks ...

Elsevier Science Sa2024

Accelerated Workflow for Antiperovskite-based Solid State Electrolytes

Andrea Fedrigucci, Ivano Eligio Castelli

We developed and implemented a multi-target multi-fidelity workflow to explore the chemical space of antiperovskite materials with general formula X(3)BA (X=Li, Na, Mg) and Pm-3m space group, searching for stable high-performance solid state electrolytes f ...

WILEY-V C H VERLAG GMBH2023

Multi-physics modeling of VVERs with high fidelity high-resolution codes

Marianna Papadionysiou

The calculations performed for the design and operation of a Nuclear Power Plant (NPP) are a key factor for their safety analyses. The standard for the computational analysis of NPPs is the so called conventional approach, which relies on coarse mesh diffu ...

EPFL2022

A Calculation Method for Interconnected Timber Elements Using Wood-Wood Connections

Yves Weinand, Julien Gamerro, Jean-François Bocquet

Wood-wood connections, widely used in the past, have been progressively replaced by steel fasteners in timber constructions. Currently, they can be manufactured and implemented more efficiently thanks to digital fabrication techniques. In addition, with th ...

2020

Materials Cloud, a platform for open computational science

Berend Smit, Nicola Marzari, Giovanni Pizzi, Martin Uhrin, Fernando Gargiulo, Aliaksandr Yakutovich, Christoph Leopold Talirz, Sebastiaan Philippe Huber, Snehal Pramod Kumbhar, Casper Welzel Andersen

Materials Cloud is a platform designed to enable open and seamless sharing of resources for computational science, driven by applications in materials modelling. It hosts (1) archival and dissemination services for raw and curated data, together with their ...

2020

Effects of 3D Ideal MHD Equilibrium Geometry on Neoclassical Properties in Tokamaks: Exploring Bootstrap Current and Impurity Accumulation

Madhusudan Raghunathan

This thesis concentrates on investigating the presence of 3D ideal MHD instabilities, particularly a saturated 1/1 ideal internal kink, on neoclassical phenomena such as the bootstrap current and heavy impurity transport. The MHD equilibria are generated u ...

EPFL2018

Cavity ring-down spectroscopy to measure negative ion density in a helicon plasma source for fusion neutral beams

Ivo Furno, Alan Howling, Philippe Frédérique Bruno Guittienne, Yanis Andrebe, Rémy Jacquier, Riccardo Agnello, Gennady Plyushchev

Cavity Ring Down Spectroscopy (CRDS) is used to measure the D- absolute density produced in the helicon plasma reactor RAID (Resonant Antenna Ion Device) at the Swiss Plasma Center. The birdcage geometry of the helicon antenna produces a homogeneous, high- ...

2018

Cooperativity in Spin Crossover Systems. An Atomistic Perspective on the Devil's Staircase

Sergio Vela Llausi

Cooperativity is key in defining the shape (i.e., gradual, abrupt, or hysteretic) of thermally driven spin transitions in magnetic switches. Despite its importance, there is very little information on its atomistic origin, which hinders the rational design ...

AMER CHEMICAL SOC2018

Fully self-consistent calculations of momentum distributions of annihilating electron-positron pairs in SiC

Julia Anna Wiktor

We performed calculations of momentum distributions of annihilating electron-positron pairs in various fully relaxed vacancy defects in SiC. We used self-consistent two-component density functional theory schemes to find the electronic and positronic densi ...

Amer Physical Soc2016

A method for aggregating external operating conditions in multi-generation system optimization models

Adriano Viana Ensinas, Christoffer Lythcke-Jørgensen

This paper presents a novel, simple method for reducing external operating condition datasets to be used in multi-generation system optimization models. The method, called the Characteristic Operating Pattern (CHOP) method, is a visually-based aggregation ...

2016