Publications related to Accurate thermal conductivities from optimally short molecular dynamics simulations

Divide-and-conquer one-step simulator for the generation of synthetic households

This paper presents a novel simulation approach for generating synthetic households, addressing several literature gaps from the methodological viewpoint. The generation of hierarchical datasets such as complete households is challenging since it must guar ...

2023

Machine-learning the electronic density of states: electronic properties without quantum mechanics

Chiheb Ben Mahmoud

The electronic density of states (DOS) quantifies the distribution of the energy levels that can be occupied by electrons in a quasiparticle picture and is central to modern electronic structure theory. It also underpins the computation and interpretation ...

EPFL2023

Traversing Time Dependent Light Fields for Daylight Glare Evaluation

Stephen William Wasilewski

To understand how daylight gives shape and life to architectural spaces, whether existing or imagined, requires quantifying its dynamism and energy. Maintaining these details presents a challenge to simulation and analysis methods that flatten data into di ...

EPFL2023

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

Zilu Tian

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

Thermal management for gas lubricated, high-speed turbomachinery

Jürg Alexander Schiffmann, Luis Eric Olmedo Ocampo, Wei Liu, Wanhui Liu

High-speed turbomachinery is commonly designed to achieve high power densities. Limited space for active cooling results in a challenging thermal management. A thermal modeling approach leveraging modern declarative programming capabilities is presented, y ...

2023

Reduced order models for coupled systems

Niccolo' Discacciati

Efficient numerical simulations of coupled multi-component systems can be particularly challenging. This is mostly due to the complexity of their solutions, as mutual interactions may cause emergent behaviors, including synchronization and instabilities. V ...

EPFL2023

Many-body Green?s function approach to lattice thermal transport

Nicola Marzari, Michele Simoncelli

Recent progress in understanding thermal transport in complex crystals has highlighted the prominent role of heat conduction mediated by interband tunneling processes, which emerge between overlapping phonon bands (i.e., with energy differences smaller tha ...

AMER PHYSICAL SOC2022

Wigner Formulation of Thermal Transport in Solids

Nicola Marzari, Michele Simoncelli

Two different heat-transport mechanisms are discussed in solids. In crystals, heat carriers propagate and scatter particlelike as described by Peierls's formulation of the Boltzmann transport equation for phonon wave packets. In glasses, instead, carriers ...

American Physical Society2022

Modeling of saturated external MHD instabilities in tokamaks: A comparison of 3D free boundary equilibria and nonlinear stability calculations

Jonathan Graves

3D free boundary equilibrium computations have recently been used to model external kinks and edge harmonic oscillations (EHOs), comparing with linear MHD stability codes, and nonlinear analytic theory [Kleiner et al., Phys. Plasma Controlled Fusion 61, 08 ...

2022

Sparsely Observed Functional Time Series: Theory and Applications

Tomas Rubin

Functional time series is a temporally ordered sequence of not necessarily independent random curves. While the statistical analysis of such data has been traditionally carried out under the assumption of completely observed functional data, it may well ha ...

EPFL2021

Robust Monte-Carlo Simulations in Diffusion-MRI: Effect of the Substrate Complexity and Parameter Choice on the Reproducibility of Results

Jean-Philippe Thiran, David Paul Roger Romascano, Gabriel Girard, Jonathan Rafael Patino Lopez, Erick Jorge Canales Rodriguez, Alonso Ramirez Manzanares

Monte-Carlo Diffusion Simulations (MCDS) have been used extensively as a ground truth tool for the validation of microstructure models for Diffusion-Weighted MRI. However, methodological pitfalls in the design of the biomimicking geometrical configurations ...

2020

Accurate Description of Nuclear Quantum Effects with High-Order Perturbed Path Integrals (HOPPI)

Michele Ceriotti, Venkat Kapil

Imaginary time path-integral (PI) simulations that account for nuclear quantum effects (NQE) beyond the harmonic approximation are increasingly employed together with modern electronic-structure calculations. Existing PI methods are applicable to molecules ...

AMER CHEMICAL SOC2020

Mixed scalar-current bootstrap in three dimensions

Alessandro Vichi, Marten Jan Reehorst

We study the mixed system of correlation functions involving a scalar field charged under a global U(1) symmetry and the associated conserved spin-1 current J(mu). Using numerical bootstrap techniques we obtain bounds on new observables not accessible in t ...

Springer Nature2020

Effective conductivity of porous ceramics in a radiative environment

Jérémy Raphaël Mora-Monteros, Sophia Haussener, Clemens Gregor Suter

The knowledge of the effective thermal conductivity, taking into account conduction and radiation, is crucial for the accurate prediction of the thermal behavior of porous foams, especially in an environment where radiation is dominating. We present a comb ...

2020

Sim-to-real transfer reinforcement learning for control of thermal effects of an atmospheric pressure plasma jet

Berend Smit, Matthew David Witman

Applications of atmospheric pressure plasma jets (APPJs) present challenging feedback control problems due to the complexity of the plasma-substrate interactions. The plasma treatment of complex substrates is particularly sensitive to changes in the physic ...

2019

Numerical Simulations of Pulsating Heat Pipes, Part 2: Comparison to Experimental Data

John Richard Thome, Jackson Braz Marcinichen, Raffaele Luca Amalfi, Filippo Cataldo, Philippe Aubin

Due to the local pulsating/transient nature and complex thermal-hydraulic coupling of a closed loop pulsating heat pipe (CLPHP), there is a need to develop an effective simulation code capable to design and predict the local and overall thermal performance ...

IEEE2019

Modeling and experimentation of conductive and radiative transfer through heterogeneous insulators in high-flux environments

Jérémy Raphaël Mora-Monteros

Heterogeneous materials are used in a wide range of applications involving high heat flux environments such as concentrated solar reactors, high-temperature furnaces, or thermal protection systems of space vehicles. The thermal response of heterogeneous ma ...

EPFL2019

Building Virtualization Engine: a Novel Approach Based on Discrete Event Simulation

Maher Kayal, Georgios Lilis, Olivier Valentin Henri Van Cutsem

This paper proposes and validates a Discrete Event Simulation (DES) engine for the Smart-Building (SB). It strives to virtualize the common elements found within it and integrates them transparently to an existing Building Management System (BMS), along wi ...

Ieee2016

New approach to low thermal conductivity of thermal barrier protection with improved mechanical integrity

Paul Bowen, Heinrich Hofmann, Abhishek Tewari

Layered ceramic systems with designed stacks of dense and porous layers were investigated as alternative for thermal barrier protection system (TBPs). This approach gives the possibility to obtain low thermal conductivity with the impact protection of dens ...

Elsevier2016

Overheating reduction of a cold formed steel-framed building using a hybrid evolutionary algorithm to optimize different PCM solutions

Jean-Louis Scartezzini, Jérôme Henri Kämpf, Antonio José Pereira de Figueiredo

Cold formed steel-framed constructions have been strongly disseminated with particular emphasis on the residential sector due to their fast execution, quality control and final cost. However, this construction typology presents a weakness associated with a ...

vdf Hochschulverlag AG ETH Zurich2016