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Publications associées (31)

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Nuclear Quantum Effects: Fast and Accurate

Venkat Kapil

Atomistic simulations are a bottom up approach that predict properties of materials by modelling the quantum mechanical behaviour of all electrons and nuclei present in a system. These simulations, however, routinely assume nuclei to be classical particles ...

EPFL2020

Quantifying the technical geothermal potential from shallow borehole heat exchangers at regional scale

Jean-Louis Scartezzini, Nahid Mohajeri Pour Rayeni, Alina Ursula Rosa Walch

The extraction of shallow geothermal energy using borehole heat exchangers (BHEs) is a promising approach for decarbonisation of the heating sector. However, a dense deployment of BHEs may lead to thermal interference between neighboring boreholes and ther ...

Pergamon-Elsevier Science Ltd2020

Journal of Physics: Conference Series High-pressure specific heat technique to uncover novel states of quantum matter

Henrik Moodysson Rønnow, Julio Antonio Larrea Jiménez

AC-specific heat measurements remain as the foremost thermodynamic experimental method to underpin phase transitions in tiny samples. However, its performance under combined extreme conditions of high-pressure, very low temperature and intense magnetic fie ...

IOP PUBLISHING LTD2020

Mn4+-Substituted Li-Rich Li1.2Mn0.43+Mnx4+Ti0.4-xO2 Materials with High Energy Density

Chunyang Zhang

In this work, Li-rich Li1.2Mn0.43+Mnx4+Ti0.4-xO2 (LMMxTO, 0

2020

Ferrimagnetic 120 degrees magnetic structure in Cu2OSO4

Helmuth Berger, Henrik Moodysson Rønnow, Arnaud Magrez, Ivica Zivkovic, Lin Yang, Gregory Scott Tucker, Nicola Casati, Virgile Yves Favre

We report magnetic properties of a 3d(9) (Cu2+) magnetic insulator Cu2OSO4 measured on both powder and single crystal. The magnetic atoms of this compound form layers whose geometry can be described either as a system of chains coupled through dimers or as ...

AMER PHYSICAL SOC2020

Structure and superconductivity in the binary Re1-xMox alloys

Joël Mesot

The binary Re1-xMox alloys, known to cover the full range of solid solutions, were successfully synthesized and their crystal structures and physical properties investigated via powder x-ray diffraction, electrical resistivity, magnetic susceptibility, and ...

AMER PHYSICAL SOC2019

Competition between intermediate plaquette phases in SrCu2(BO3)(2) under pressure

Frédéric Mila

Building on the growing evidence based on NMR, magnetization, neutron scattering, electron spin resonance, and specific heat that, under pressure, SrCu2(BO3)(2) has an intermediate phase between the dimer and the Neel phase, we study the competition betwee ...

2019

Scheduling trips through a bottleneck: monotonicity and stability

Nikolaos Geroliminis, Raphael Ali Francis Lamotte

This paper investigates the stability of departure time choice within a population of commuters that need to pass through a bottleneck of constant capacity. It is shown that the corresponding utility function is monotonic if and only if the marginal utilit ...

2019

The Investigation of Flory-Huggins Interaction Parameters for Amorphous Solid Dispersion Across the Entire Temperature and Composition Range

Esther Amstad

Amorphous solid dispersion (ASD) is one of the most promising enabling formulations featuring significant water solubility and bioavailability enhancements for biopharmaceutical classification system (BCS) class II and IV drugs. An accurate thermodynamic u ...

2019

Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective

Venkat Kapil

Thermal engineering of metal-organic frameworks for adsorption-based applications is very topical in view of their industrial potential, in particular, since heat management and thermal stability have been identified as important obstacles. Hence, a fundam ...

AMER CHEMICAL SOC2019

Modeling the Structural and Thermal Properties of Loaded Metal–Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations

Michele Ceriotti, Venkat Kapil

Metal–organic frameworks show both fundamental interest and great promise for applications in adsorption-based technologies, such as the separation and storage of gases. The flexibility and complexity of the molecular scaffold pose a considerable challenge ...

2019