Angle-dependent terahertz time-domain spectroscopy of amino acid single crystals

Article Abstract:

A report on the measurement of absorption spectras using angle-dependent terahertz (THz) time-domain spectroscopy for amino acid single crystals of L-cysteine and L-histidine is presented. Linearly polarized THz radiation enables to observe angle-dependent far-infrared absorption spectra of amino aid single crystals and determine the direction of the oscillating dipole of the molecules in the 20-100 [cm.sup.-1] range.

Observations, Spectra, Amino acids, Terahertz radiation

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Cooperative atomic displacements and melting at the limit of superheating

Article Abstract:

A study is conducted to show how the melting of superheated crystals originates from the localization of thermal disorder in excited regions of the crystalline structure. It is found that characterized by high mobility, defective atoms undergo a cooperative dynamics that can result in net atom displacements between equilibrium lattice sites.

Analysis, Lattice dynamics

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Cooperative dynamics and self-diffusion in superheated crystals

Article Abstract:

Molecular dynamics dsimulations were used to study atomistic scale dynamics of superheated crystals under different temperature and pressure conditions. The occurrence of homogenous melting was related to the generation of structural defects characterized by the presence of pairs of particles having defective coordination.

Molecular dynamics, Molecular crystals, Chemical properties

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