منابع مشابه
The Boson peak in supercooled water
We perform extensive molecular dynamics simulations of the TIP4P/2005 model of water to investigate the origin of the Boson peak reported in experiments on supercooled water in nanoconfined pores, and in hydration water around proteins. We find that the onset of the Boson peak in supercooled bulk water coincides with the crossover to a predominantly low-density-like liquid below the Widom line ...
متن کاملVibrational dynamics and boson peak in a supercooled polydisperse liquid.
Vibrational density of states (VDOS) in a supercooled polydisperse liquid is computed by diagonalizing the Hessian matrix evaluated at the potential energy minima for systems with different values of polydispersity. An increase in polydispersity leads to an increase in the relative population of localized high-frequency modes. At low frequencies, the density of states shows an excess compared t...
متن کاملFragility and Boson Peak formation in a Supercooled Liquid
We analyze results for the Boson Peak from the neutron time of flight spectroscopy data on Ge-As-Se, and Raman spectra data on m-TCP and OTP, using a recent mode coupling model that takes into account the coupling of density fluctuations with vibrational modes in presence of defects in the supercooled state. From the experimental results for different materials we observe that for more fragile ...
متن کاملBoson peak in supercooled liquids: time domain observations and mode coupling theory.
Optical heterodyne-detected optical Kerr effect (OHD-OKE) experiments are presented for the supercooled liquid acetylsalicylic acid (aspirin - ASP). The ASP data and previously published OHD-OKE data on supercooled dibutylphthalate (DBP) display highly damped oscillations with a periods of approximately 2 ps as the temperature is reduced to and below the mode coupling theory (MCT) temperature T...
متن کاملDynamic heterogeneities in supercooled water
We investigate dynamic heterogeneities in liquid water by performing molecular dynamics simulations of the SPC/E model. We find clusters of mobile molecules. We study the temperature and time dependence of the cluster size and find that clusters grow as temperature decreases and have a maximum size at the time scale corresponding to the escape of the molecules from the cage formed by neighborin...
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ژورنال
عنوان ژورنال: Scientific Reports
سال: 2013
ISSN: 2045-2322
DOI: 10.1038/srep01980