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Structural phases of hexamethylenetetramine-pimelic acid (1/1): a unified description based on a stacking model

Publications associées (56)

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Liquid-solid transition in fully ionized hydrogen at ultra-high pressures

Elisa Liberatore

We study the phase diagram of an effective ion model of fully ionized hydrogen at ultra-high pressure. We assume that the protons interact with a screened Coulomb potential derived from a static linear response theory. This model accurately reproduces the ...

American Institute of Physics2011

Static disorder and structural correlations in the low-temperature phase of lithium imide

Michele Ceriotti, Giacomo Francesco Leonardo Miceli, Michele Parrinello

Based on ab initio molecular dynamics simulations, we investigate the low-temperature crystal structure of Li2NH which in spite of its great interest as H-storage material is still a matter of debate. The dynamical simulations reveal a precise correlation ...

2011

Generation of a high depth of focus with constant transversal spot size using a phase-only pupil filter

Pramod Rastogi, Daniel Iwaniuk

A novel approach is proposed to obtain an extended depth of focus (DoF) in white light with constant transversal spot size within the DoF. It combines a phase-only pupil filter based on multiplexed radial zones with alternating quartic phase functions. The ...

Taylor & Francis2010

We have solved and refined the crystal structure of the orthorhombic gamma-phase of Ca(BD4)(2) by combined synchrotron X-ray powder diffraction, neutron powder diffraction, and ab initio calculations. Among five structural candidates giving the same qualit ...

2009

Simulations d'une structure cristalline incommensurable à caractère désordonné

Eric Germaneau

Incommensurate crystal structures do not display three-dimensional periodicity. Discovered in the 1960's, a mathematical model has been established in 1974 only. Incommensurate structures belong to the big family of aperiodic structures. The modulation of ...

EPFL2008

Lifetime of the Cs6P(1/2) state in bcc and hcp solid He-4

Simone Ulzega

We present the first experimental study of time-resolved fluorescence from laser-excited Cs(6P(1/2)) atoms isolated in a solid He-4 matrix. The results are compared to the predictions of the bubble model including the interaction of the atomic dipole with ...

2008

Structure and thermal stability of arc evaporated (Ti0.33Al0.67)(1-x)SixN thin films

(Ti0.33Al0.67)(1-x)SixN (0

2008

Results of the first phase of the d-Rank project

Martin Rajman, Martin Veselý

In the present report we describe the research work that has been carried out in the scope of the first 2 year phase of the d-Rank project. ...

2008

Phase transitions in micro-, submicro-, and nanocrystalline NaNbO3 were investigated by temperature-tuning Raman spectroscopy and X-ray powder diffraction method. Three powders with different average particle size showed successive phase transitions within ...

2007

Powder synchrotron X-ray diffraction studies confirm that 7-oxabicyclo[2.2.1]heptane, (oxanorbornane), forms three solid phases on cooling and four on warming, as previously indicated by spectroscopic and DSC meas urements. The two highest temperature phas ...

2007