Unified cluster expansion method applied to the configurational thermodynamics of cubic Ti1-xAlxN

À propos
Confidentialité
Mentions légales

Graph Chatbot

Publications associées (31)

Entanglement Entropy from Nonequilibrium Work

Jonathan D'Emidio

The Renyi entanglement entropy in quantum many-body systems can be viewed as the difference in free energy between partition functions with different trace topologies. We introduce an external field lambda that controls the partition function topology, all ...

AMER PHYSICAL SOC2020

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

Tighter thermodynamic bound on the speed limit in systems with unidirectional transitions

Deepak Gupta, Daniel Maria Busiello

We consider a general discrete state-space system with both unidirectional and bidirectional links. In contrast to bidirectional links, there is no reverse transition along the unidirectional links Herein, we first compute the statistical length and the th ...

2020

Entropy in Spin Relaxation, Spintronics, and Magnetic Resonance

Ferenc Simon

The entropy change during spin relaxation for a realistic model system is studied, whose spin dynamics can be handled with the Boltzmann equation. The time evolution of the von Neumann entropy is monitored during the process and is compared with the recent ...

WILEY-V C H VERLAG GMBH2020

Depletion Effect-mediated Association of Carbon Nanotube-Polymer Composites and Their Application as Inexpensive Electrode Support Materials

Paul Joseph Dyson, Zhangjun Huang

The association between carbon nanotubes (CNTs) and polymers to afford functional composites has been attributed to enthalpic interactions, neglecting the entropic depletion effect, in which bound solvents are released during the association process. Here, ...

AMER CHEMICAL SOC2020

From the Principle of Inertia to the Death Drive: The Influence of the Second Law of Thermodynamics on the Freudian Theory of the Psychical Apparatus

Jean-Philippe Ansermet, Pierre Magistretti

In the Freudian theory of the psychical apparatus, the introduction from the 1920s onward of the second drive dualism appears as a major turning point. The idea of a "death drive," first expressed in Beyond the Pleasure Principle (Freud, 1920), is generall ...

Frontiers Media2020

Atomistic origins of the limited phase stability of Cs+-rich FAxCs(1-x)PbI3 mixtures

Michael Graetzel, Ursula Röthlisberger, Simone Meloni, Dominik Józef Kubicki, David Lyndon Emsley, Ariadni Boziki, Aditya Mishra

Mixed cation perovskites, [HC(NH2)2]xCs(1-x)PbI3, (FAxCs(1-x)PbI3) with x=0.8 achieve high solar cell power conversion efficiencies (PCEs) while exhibiting long-term stability under ambient conditions. In this work, we perform density functional theory (DF ...

2020

Corrections to “Experimental Details of a Steep-Slope Ferroelectric InGaAs Tunnel-FET With High-Quality PZT and Modeling Insights in the Transient Polarization”

Igor Stolichnov, Mihai Adrian Ionescu, Ali Saeidi, Hiroshi Iwai

This correspondence highlights that the Gibbs free energy description of a ferroelectric capacitor in series with a paraelectric capacitor, depends on the initial charge on the plates of the ferroelectric capacitor. An incomplete Gibbs free energy descript ...

2020

H0LiCOW-XIII. A 2.4 per cent measurement of H-0 from lensed quasars: 5.3 sigma tension between early- and late-Universe probes

Georges Meylan, Frédéric Courbin, Vivien François Bonvin, Martin Raoul Robert Millon, Olga Tihhonova, Hung-Hsu Chan, Adriano Agnello

We present a measurement of the Hubble constant (H-0) and other cosmological parameters from a joint analysis of six gravitationally lensed quasars with measured time delays. All lenses except the first are analysed blindly with respect to the cosmological ...

OXFORD UNIV PRESS2020

Oxygen evolution reaction: Bifunctional mechanism breaking the linear scaling relationship

Alfredo Pasquarello, Patrick Gono

The bifunctional mechanism for the oxygen evolution reaction (OER) involving two distinct reaction sites is studied through the computational hydrogen electrode method for a set of catalyst materials including rutile TiO2(110), anatase TiO2(101), SnO2(110) ...

2020

Semiclassical S-matrix and black hole entropy in dilaton gravity

Sergey Sibiryakov

We use complex semiclassical method to compute scattering amplitudes of a point particle in dilaton gravity with a boundary. This model has nonzero minimal black hole mass M-cr. We find that at energies below M-cr the particle trivially scatters off the bo ...

Springer Nature2020

Page 2 sur 2