scholarly journals Structure and dynamics in low dimensional guest-host solids. Progress report, May 1992--November 1992

1992 ◽  
Author(s):  
J.E. Fischer
Keyword(s):  
Progress Report ◽  
Structure And Dynamics ◽  
Low Dimensional

scholarly journals An isolated water droplet in the aqueous solution of a supramolecular tetrahedral cage

2020 ◽  
Vol 117 (52) ◽  
pp. 32954-32961
Author(s):  
Federico Sebastiani ◽  
Trandon A. Bender ◽  
Simone Pezzotti ◽  
Wan-Lu Li ◽  
Gerhard Schwaab ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Water Droplet ◽  
Solid Phase ◽  
Low Frequency ◽  
Ab Initio Molecular Dynamics ◽  
Water Molecules ◽  
Ambient Conditions ◽  
Structure And Dynamics ◽  
Thz Absorption ◽  
Low Dimensional

Water under nanoconfinement at ambient conditions has exhibited low-dimensional ice formation and liquid–solid phase transitions, but with structural and dynamical signatures that map onto known regions of water’s phase diagram. Using terahertz (THz) absorption spectroscopy and ab initio molecular dynamics, we have investigated the ambient water confined in a supramolecular tetrahedral assembly, and determined that a dynamically distinct network of 9 ± 1 water molecules is present within the nanocavity of the host. The low-frequency absorption spectrum and theoretical analysis of the water in the Ga4L612− host demonstrate that the structure and dynamics of the encapsulated droplet is distinct from any known phase of water. A further inference is that the release of the highly unusual encapsulated water droplet creates a strong thermodynamic driver for the high-affinity binding of guests in aqueous solution for the Ga4L612− supramolecular construct.

Characterization of a Nonlinear Mechanical System by Experimental Attractors

1991 ◽  
Author(s):  
R. Kesaraju ◽  
S. T. Noah
Keyword(s):  
Theoretical Model ◽  
Dynamical Systems ◽  
Periodic Orbits ◽  
Structure And Dynamics ◽  
Nonlinear Mechanical ◽  
Nonlinear Mechanical System ◽  
Deterministic Dynamical Systems ◽  
Low Dimensional ◽  
Invariant Characterization

Abstract Response cycles (periodic orbits) provide a detailed invariant characterization for low dimensional deterministic dynamical systems (Gunaratne and Procaccia, 1987). One can extract all the periodic orbits of order n, for n not too large, directly from the chaotic attractor and calculate their stabilities (Lyapunov exponents), Lathrop and Kostelich, 1989. This information is crucial for asserting whether two experimental attractors are the same or that a theoretical model faithfully reproduces an experimental attractor. Moreover, the periodic orbits can provide a useful characterization of the structure and dynamics of the attractor as parameters vary. This could prove to be a useful tool in failure prediction or parameter identification.

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