Molecular dynamics investigations of modulated phases in organic materials
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In order to perform a molecular dynamics (MD) simulation of the incommensurate crystalline structure hexamethylenetetramine suberate (C6H12N4)(HOOC-(CH2)(6)-COOH), we present in a first step the separate simulations of the crystalline structure of each of ...
Pb2CoWO6 in its incommensurate phase (230 less than or equal to T less than or equal to 300 K) invariably exhibits orientational domains. Such a polydomain state has been investigated by means of X-ray diffraction at 283 K. Assuming the modulation to be on ...
We have measured phase modulation in the first chemical beam epitaxy grown InGaAsP/InP barrier, reservoir, and quantum well electron transfer structures. We obtain a negative refractive index change, DELTAn, similar to that found in the InGaAs/InAlAs syste ...
Molecular-geometry calculations in the superspace framework of incommensurate structure analysis are presented in detail. In particular, a method is described for attaching atoms to groups of others without the necessity of introducing further modulation f ...
In this paper, we present new dynamic features derived from the modulation spectrum of the cepstral traje ctories of the speech signal. Cepstral trajectories are projected over the basis of sines and cosines yie lding the cepstral modulation frequency resp ...
An experimental method is presented for characterization of the combined intensity and frequency modulation produced when the injection current of a laser diode is modulated. The reported technique is based on the analysis of the harmonic signals produced ...
DC-SQUIDs made of refractive materials NbN-MgO-NbN were prepared using thin film preparation techniques. The noise properties of these SQUIDs were investigated. The white energy sensitivity of typical devices is 600h (8mF0/ÃHz). The measured values are co ...
Molecular dynamic calculations of pullout in multiwall carbon nanotubes (CNTs) demonstrate that inner walls with fractured ends have pullout forces similar to3-4 times larger than those for capped ends, due to deformation of the fractured end, quantitative ...
We first describe the three-dimensional extension of the molecular-dynamics models for granular media simulations. We then discuss the known energy dissipation problem occurring when simulating dense granular media with the usual molecular-dynamics forces ...
In this paper, we present new dynamic features derived from the modulation spectrum of the cepstral traje ctories of the speech signal. Cepstral trajectories are projected over the basis of sines and cosines yie lding the cepstral modulation frequency resp ...