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Predicting when phase changes occur in nanoparticles is fundamental for designing the next generation of devices suitable for catalysis, biomedicine, optics, chemical sensing and electronic circuits. The estimate of the temperature at which metallic nanopa ...
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 ...
Potassium chromium jarosite, KCr3(OH)(6)(SO4)(2) (Cr-jarosite), is considered a promising candidate to display spin liquid behavior due to the strong magnetic frustration imposed by the crystal structure. However, the ground state magnetic properties have ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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
