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BH4- Self-Diffusion in Liquid LiBH4

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Fast diffusion of water nanodroplets on graphene

Gabriel Aeppli, Gabriele Tocci, Ming Ma

Diffusion across surfaces generally involves motion on a vibrating but otherwise stationary substrate. Here, using molecular dynamics, we show that a layered material such as graphene opens up a new mechanism for surface diffusion whereby adsorbates are ca ...

Nature Publishing Group2016

Liquid CO2 processing of solid polylactide foam precursors

John Christopher Plummer, Yonghoon Yoon

Diffusion of CO2 in polylactide was modelled by assuming the diffusion coefficient to depend on CO2 concentration, c, according to D[c]=D[0]exp[Ac], where D[0] and A are empirical constants, with the aim of optimizing impregnation of nominally amorphous an ...

Sage Publications Ltd2016

Rotational disorder in lithium borohydride

LiBH4 has been discussed as a promising hydrogen storage material and as a solid-state electrolyte in lithiumion batteries. It contains 18.5 wt% hydrogen and undergoes a structural phase transition at 381K which is associated with a large increase in rotat ...

E D P Sciences2015

Theory of the jamming transition at finite temperature

Matthieu Wyart, Eric DeGiuli

A theory for the microscopic structure and the vibrational properties of soft sphere glass at finite temperature is presented. With an effective potential, derived here, the phase diagram and vibrational properties are worked out around the Maxwell critica ...

American Institute of Physics2015

Minimal model for double diffusion and its application to Kivu, Nyos, and Powell Lake

Alfred Johny Wüest, Marco Toffolon

Double diffusion originates from the markedly different molecular diffusion rates of heat and salt in water, producing staircase structures under favorable conditions. The phenomenon essentially consists of two processes: molecular diffusion across sharp i ...

American Geophysical Union2015

Extent-based Model Identification of Surface Catalytic Reaction Systems

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan, Diogo Filipe Mateus Rodrigues

Identification of kinetic models and estimation of reaction and mass-transfer parameters is an important task for monitoring, control and optimization of industrial processes. A methodology called Extent-based Model Identification has been developed to sep ...

2014

Muon-spin relaxation study on Li- and Na-diffusion in solids

Martin Mansson

Solid state diffusion is a very complex mechanism and, up until recent studies, such properties had mainly been conducted by macroscopic methods that do not yield true material properties. This has been a major problem for materials development regarding e ...

Iop Publishing Ltd2013

Hydrogen dynamics in the low temperature phase of LiBH4 probed by quasielastic neutron scattering

LiBH4 contains 18.5 wt% hydrogen and undergoes a structural phase transition (orthorhombic → hexagonal) at 381 K which is associated with a large increase in hydrogen and lithium solid-state mobility. We investigated the hydrogen dynamics in the low temper ...

2013

Hydrogen Dynamics in Nanoconfined Lithiumborohydride

Philippe Mauron

Lithiumborohydride (LiBH4) contains 18.5 wt % hydrogen and exhibits a structural phase transition (orthorhombic→ hexagonal) at 381 K, which is associated with a large increase in hydrogen and lithium mobility in the solid. Confining metal hydrides in a nan ...

2013

Quasi-elastic neutron scattering in the multi-GPa range and its application to liquid water

Livia Eleonora Bove Kado

We present a method which allows quasi-elastic neutron scattering (QENS) at multi-GPa pressures, i.e., pressure conditions which are an order of magnitude higher than possible with QENS till now. The technique uses an opposed-anvil geometry with a sample c ...

Amer Inst Physics2013