Publications associées à Fonction de distribution radiale

On isothermality in some commonly used plug flow reactors for X-ray based investigations of catalysts

Dragos-Constantin Stoian, Mark Adrian Newton

We compare two reactor setups commonly used to make operando measurements of catalyst behavior using X-rays in terms of the degree to which they may be considered to yield radial and axial isothermality. We use axial and radial Cu K-edge XANES mapping of c ...

ROYAL SOC CHEMISTRY2019

Constant-pressure nested sampling with atomistic dynamics

Robert John Nicholas Baldock

The nested sampling algorithm has been shown to be a general method for calculating the pressure-temperature-composition phase diagrams of materials. While the previous implementation used single-particle Monte Carlo moves, these are inefficient for conden ...

Amer Physical Soc2017

Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study

Alfredo Pasquarello, Giacomo Francesco Leonardo Miceli, Francesco Ambrosio

We study structural, dynamical, and electronic properties of liquid water through ab initio molecular dynamics (MD) simulations based on a hybrid functional which includes nonlocal van der Waals (vdW) interactions. The water dimer, the water hexamer, and t ...

Amer Chemical Soc2016

X‑ray and Neutron Scattering of Water

Livia Eleonora Bove Kado

This review article focuses on the most recent advances in X-ray and neutron scattering studies of water structure, from ambient temperature to the deeply supercooled and amorphous states, and of water diffusive and collective dynamics, in disparate thermo ...

American Chemical Society2016

The gas-liquid surface tension of argon: A reconciliation between experiment and simulation

Dominic John Tildesley

We present a simulation of the liquid-vapor interface of argon with explicit inclusion of the three-body interactions. The three-body contributions to the surface tension are calculated using the Kirkwood-Buff approach. Monte Carlo calculations of the long ...

Amer Inst Physics2014

Symmetric and asymmetric excitations of a strong-leg quantum spin ladder

Pierre Bouillot

The zero-field excitation spectrum of the strong-leg spin ladder (C7H10N)(2)CuBr4 is studied with a neutron time-of-flight technique. The spectrum is decomposed into its symmetric and asymmetric parts with respect to the rung momentum and compared with the ...

American Physical Society2013

Role of fluid-density correlations in hydrodynamics: a multiparticle collision dynamics simulation study

Giuseppe Foffi, Maxim Belushkin

Hydrodynamic interactions play a pivotal role in the dynamical behaviour of mesoscale systems such as colloidal suspensions, yet isolating their contribution from other effects remains a key challenge. Hydrodynamic correlations within a fluid are a consequ ...

Royal Soc Chemistry2012

Variable delay using stationary and localized Brillouin dynamic gratings

Luc Thévenaz, Nikolay Primerov

Reflections from movable, dynamic acoustic gratings in polarization maintaining (PM) fibers are employed in the long variable delay of periodic, isolated pulses. The gratings are introduced by stimulated Brillouin scattering (SBS) interaction between two c ...

Society of Photo-Optical Instrumentation Engineers (SPIE)2012

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Fonction de distribution radiale

A universal signature in the melting of metallic nanoparticles

Structural characterization and magnetic properties of chromium jarosite KCr3(OD)(6)(SO4)(2)

On isothermality in some commonly used plug flow reactors for X-ray based investigations of catalysts

Constant-pressure nested sampling with atomistic dynamics

Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study

X‑ray and Neutron Scattering of Water

The gas-liquid surface tension of argon: A reconciliation between experiment and simulation

Symmetric and asymmetric excitations of a strong-leg quantum spin ladder

Role of fluid-density correlations in hydrodynamics: a multiparticle collision dynamics simulation study

Variable delay using stationary and localized Brillouin dynamic gratings

Graph Chatbot

Chattez avec Graph Search

The gas-liquid surface tension of argon: A reconciliation between experiment and simulation

Constant-pressure nested sampling with atomistic dynamics

X‑ray and Neutron Scattering of Water

Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study

Symmetric and asymmetric excitations of a strong-leg quantum spin ladder

Role of fluid-density correlations in hydrodynamics: a multiparticle collision dynamics simulation study

Variable delay using stationary and localized Brillouin dynamic gratings

Structural characterization and magnetic properties of chromium jarosite KCr3(OD)(6)(SO4)(2)

On isothermality in some commonly used plug flow reactors for X-ray based investigations of catalysts