Publication

Predicted calcium titanate solution mechanisms in calcium aluminoferrite and related phases

Related publications (32)

Generalizing Bulk-Synchronous Parallel Processing for Data Science: From Data to Threads and Agent-Based Simulations

Agent-based simulations have been widely applied in many disciplines, by scientists and engineers alike. Scientists use agent-based simulations to tackle global problems, including alleviating poverty, reducing violence, and predicting the impact of pandem ...

EPFL2023

Increasing Superstructure Optimization Capacity Through Self-Learning Surrogate Models

François Maréchal, Ivan Daniel Kantor, Julia Granacher

Simulation-based optimization models are widely applied to find optimal operating conditions of processes. Often, computational challenges arise from model complexity, making the generation of reliable design solutions difficult. We propose an algorithm fo ...

2021

Atomistic modeling of the solid-liquid interface of metals and alloys

Edoardo Baldi

Solidification is a phase transformation of utmost importance in material science, for it largely controls materials' microstructure on which a wide range of mechanical properties depends. Almost every human artifact undergoes a transformation that leads t ...

EPFL2020

Direct numerical simulation of phase change in the presence of non-condensable gases

Lubomír Bures, Yohei Sato

This paper describes a new numerical method for the simulation of phase change phenomena between a liquid and a vapour in the presence of non-condensable gases. The method is based on an interface-tracking approach in the framework of single-fluid modellin ...

2020

Probabilistic Deep Learning on Spheres for Weather/Climate Applications

Wentao Feng

The climate and weather are modeled by running computer simulations. In a data-driven approach, scientists tailor the simulation to resemble reality (partly through an understanding of the physical processes, partly through their parameterization). With th ...

2020

Application of a two-fluid two-point model to SolEdge2D-EIRENE simulations of TCV H-mode plasma

Benoît Labit, Federico Nespoli, Roberto Maurizio, Hugo De Oliveira, Eric Serre

The edge and scrape-off layer (SOL) plasma of the inter-ELM phase of an H-mode discharge from the TCV tokamak is modeled with the transport code SolEdge2D-EIRENE (Bufferand et al. Nuclear Fusion 55 (2015)). The numerical simulations, in presence and in abs ...

2019

Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics

Sara Bonella, Guillaume André Jean Fraux

Vibrational spectroscopy is a fundamental tool to investigate local atomic arrangements and the effect of the environment, provided that the spectral features can be correctly assigned. This can be challenging in experiments and simulations when double pea ...

Amer Inst Physics2017

Blob dynamics in the TORPEX experiment: a multi-code validation

Ivo Furno, Paolo Ricci, Christian Gabriel Theiler, Fabio Riva, Eric Serre

Three-dimensional and two-dimensional seeded blob simulations are performed with five different fluid models, all based on the drift-reduced Braginskii equations, and the numerical results are compared among themselves and validated against experimental me ...

Institute of Physics2016

En route to multi-model scheme for clinker comminution with chemical grinding aids

Mark Sawley, Emmanuel Gallucci, David Geissbühler

We present a multimodel simulation approach, targeted at understanding the behaviour of comminution and the effect of grinding aids in industrial cement mills. On the atomistic scale, we use molecular dynamics (MD) simulations with validated force field mo ...

Maney Publishing2015

Spatial Data Management Challenges in the Simulation Sciences

Anastasia Ailamaki, Thomas Heinis, Farhan Tauheed

Scientists in many disciplines have progressively been using simulations to better understand the natural systems they study. Faster hardware, as well as increasingly precise instruments, allow the construction and simulation of progressively advanced mod ...

2014

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