Effect of short and long range forces on the structure of water. II. Orientational ordering and the dielectric constant

2000 ◽  
Vol 98 (19) ◽  
pp. 1505-1520 ◽  
Author(s):  
Jiri Kolafa, Ivo Nezbeda
Keyword(s):  
Dielectric Constant ◽  
Long Range ◽  
Structure Of Water ◽  
Orientational Ordering

scholarly journals Configurational Statistics

1978 ◽  
Vol 21 (85) ◽  
pp. 73-83 ◽  
Author(s):  
J. F. Nagle
Keyword(s):  
Dielectric Constant ◽  
Long Range ◽  
Short Range ◽  
Theoretical Calculations ◽  
Correlation Factor ◽  
Residual Entropy ◽  
Dipolar Interactions ◽  
Computational Tool ◽  
Kirkwood Correlation Factor ◽  
Polarization Factor

Abstract Theories of the dielectric constant in ice differ in three fundamentally different ways that are often confused with each other. First, there is the choice of interactions to include in the model, notably whether to try to include long-range dipolar interactions as in the Kirkwood theory or to include only the short-range ice-rule interactions. Second, there is the choice of the kind of statistical quantity calculated, e.g. the Kirkwood correlation factor g or the polarization factor G, which Stillinger and Cotter showed to be different. Finally, there is the choice of the kind of computational tool used, and in original papers this choice often obscures the first two differences. With these distinctions in mind a review is given of current theoretical calculations of the dielectric constant and the residual entropy and how the different theories relate to each other and to experiments.

Local and long-range structure of water in a perfluorinated ionomer membrane

1992 ◽  
Vol 25 (12) ◽  
pp. 3106-3109 ◽  
Author(s):  
E. M. Lee ◽  
R. K. Thomas ◽  
A. N. Burgess ◽  
D. J. Barnes ◽  
A. K. Soper ◽  
...  
Keyword(s):  
Long Range ◽  
Structure Of Water

Dielectric relaxation and orientational ordering of water molecules in hexamethylenetetramine hexahydrate

1968 ◽  
Vol 46 (6) ◽  
pp. 1024-1027 ◽  
Author(s):  
D. W. Davidson
Keyword(s):  
Dielectric Constant ◽  
Dielectric Properties ◽  
Hydrogen Bonds ◽  
Dielectric Relaxation ◽  
Static Dielectric Constant ◽  
Water Molecules ◽  
Hydrogen Atoms ◽  
Orientational Ordering ◽  
Water Hydrogen

To account for the dielectric properties of hexamethylenetetramine hydrate, which include a static dielectric constant half that of ice, some modification is necessary of the partial orientational ordering of the water molecules proposed by Mak. It is suggested that water hydrogen atoms occupy fixed positions only in the hydrogen bonds with nitrogen.

Observation of Long-Range Orientational Ordering in Metal Films Evaporated at Oblique Incidence onto Glass

2000 ◽  
Vol 615 ◽  
Author(s):  
David L. Everitt ◽  
X. D. Zhu ◽  
William J. Miller ◽  
Nicholas L. Abbott
Keyword(s):  
Long Range ◽  
Mirror Symmetry ◽  
Oblique Incidence ◽  
Room Temperature ◽  
Second Harmonic ◽  
Rotational Symmetry ◽  
Fiber Texture ◽  
Fiber Axis ◽  
X Ray ◽  
Orientational Ordering

ABSTRACTWe studied long-range orientational ordering in polycrystalline Au films (10 nm - 30 nm) that are evaporated at oblique incidence onto a glass substrate at room temperature. By measuring the averaged optical second-harmonic response from the films over a 6-mm diameter region, we observed a transition from the expected in-plane mirror symmetry at 10 nm to a surprising three-fold in-plane rotational symmetry at 30 nm. X-ray pole figure analysis performed on these films showed the strong <111> fiber texture typical of fcc films, but with a restricted, three-fold symmetric, distribution of crystallite orientations about the fiber axis.

scholarly journals Biofilm self-patterning: mechanical force landscaping drives a collective reorientation cascade

2021 ◽  
Author(s):  
Japinder Nijjer ◽  
Changhao Li ◽  
Qiuting Zhang ◽  
Haoran Lu ◽  
Sulin Zhang ◽  
...  
Keyword(s):  
Long Range ◽  
Bacterial Communities ◽  
Cell Imaging ◽  
Orientational Order ◽  
Two Phase ◽  
Agent Based ◽  
The Core ◽  
Complex Interactions ◽  
Single Cell Imaging ◽  
Orientational Ordering

During development, cells often self-organize into distinctive patterns with long-range orientational order. However, the mechanism by which long-range order emerges through complex interactions, particularly in the prokaryotic domain, remains elusive. Here we report, in growing Vibrio cholerae biofilms, a reorientation cascade consisting of cell verticalization in the core and radial alignment in the rim, generating a pattern reminiscent of a blooming aster. Single-cell imaging combined with agent-based simulations reveal that cell verticalization and radial alignment are spatiotemporally coupled, each generating the driving force for the other, to cause a dynamic cascade of differential orientational ordering. Such self-patterning is absent in nonadherent mutants but can be restored through opto-manipulation of growth. A two-phase active nematic model is developed to elucidate the mechanism underlying biofilm self-patterning, which offers insights into the control of organization in complex bacterial communities.

Molecular association in liquids II. A theory of the structure of water

1951 ◽  
Vol 205 (1081) ◽  
pp. 163-178 ◽  
Keyword(s):  
Hydrogen Bond ◽  
Dielectric Constant ◽  
Distribution Function ◽  
Hydrogen Bonds ◽  
Structural Changes ◽  
Simple Expression ◽  
Water Molecules ◽  
Structure Of Water ◽  
Bending Force ◽  
Electrostatic Calculations

Previous theories of the structure of liquid water have either placed undue emphasis on crystalline structures or have postulated that too many hydrogen bonds connecting neigh­bouring molecules are broken. In this paper a theory is developed in which the majority of hydrogen bonds are regarded as distorted rather than as broken. The structural changes are examined quantitatively with the aid of a simple expression for the energy of a bent hydrogen bond. It is shown that the use of a bending force constant consistent with electrostatic calculations on simple models of water molecules leads to a satisfactory quantitative explana­tion of the observed radial distribution function, the discontinuity in density associated with the melting of ice, and the observed values of the dielectric constant of water.

scholarly journals Configurational Statistics

1978 ◽  
Vol 21 (85) ◽  
pp. 73-83
Author(s):  
J. F. Nagle
Keyword(s):  
Dielectric Constant ◽  
Long Range ◽  
Short Range ◽  
Theoretical Calculations ◽  
Correlation Factor ◽  
Residual Entropy ◽  
Dipolar Interactions ◽  
Computational Tool ◽  
Kirkwood Correlation Factor ◽  
Polarization Factor

AbstractTheories of the dielectric constant in ice differ in three fundamentally different ways that are often confused with each other. First, there is the choice of interactions to include in the model, notably whether to try to include long-range dipolar interactions as in the Kirkwood theory or to include only the short-range ice-rule interactions. Second, there is the choice of the kind of statistical quantity calculated, e.g. the Kirkwood correlation factor g or the polarization factor G, which Stillinger and Cotter showed to be different. Finally, there is the choice of the kind of computational tool used, and in original papers this choice often obscures the first two differences. With these distinctions in mind a review is given of current theoretical calculations of the dielectric constant and the residual entropy and how the different theories relate to each other and to experiments.

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