Scaling of Bond-Orientational Order Parameters in A 54COOBC Two-Dimensional Film

Author(s):  
Chia-Fu Chou ◽  
John T. Ho ◽  
Sek-Wen Hui ◽  
V. Surendranath
1993 ◽  
Vol 321 ◽  
Author(s):  
M. Li ◽  
W. L. Johnson ◽  
W. A. Goddard

ABSTRACTThermodynamic properties, structures, defects and their configurations of a two-dimensional Lennard-Jones (LJ) system are investigated close to crystal to glass transition (CGT) via molecular dynamics simulations. The CGT is achieved by saturating the LJ binary arrays below glass transition temperature with one type of the atoms which has different atomic size from that of the host atoms. It was found that for a given atomic size difference larger than a critical value, the CGT proceeds with increasing solute concentrations in three stages, each of which is characterized by distinct behaviors of translational and bond-orientational order correlation functions. An intermediate phase which has a quasi-long range orientational order but short range translational order has been found to exist prior to the formation of the amorphous phase. The destabilization of crystallinity is observed to be directly related to defects. We examine these results in the context of two dimensional (2D) melting theory. Finite size effects on these results, in particular on the intermediate phase formation, are discussed.


ChemPhysChem ◽  
2016 ◽  
Vol 17 (11) ◽  
pp. 1568-1572 ◽  
Author(s):  
Frank Jenz ◽  
Stefan Jagiella ◽  
Matthew A. Glaser ◽  
Frank Giesselmann

1996 ◽  
Vol 76 (24) ◽  
pp. 4556-4559 ◽  
Author(s):  
Chia-Fu Chou ◽  
John T. Ho ◽  
S. W. Hui ◽  
V. Surendranath

2018 ◽  
Vol 30 (10) ◽  
pp. 104003 ◽  
Author(s):  
Alice L Thorneywork ◽  
Joshua L Abbott ◽  
Dirk G A L Aarts ◽  
Peter Keim ◽  
Roel P A Dullens

1992 ◽  
Vol 272 ◽  
Author(s):  
David R. Nelson

Flexible sheet polymers or “membranes” can be regarded as two-dimensional generalizations of linear polymer chains, for which there is a vigorous theoretical and experimental literature. Flexible membranes should exhibit even more richness and complexity, for two basic reasons. The first is that important geometric concepts like intrinsic curvature, orientability and genus, which have no direct analogue in linear polymers, appear naturally in discussions of two-dimensional macromolecules. Our understanding of the interplay between these concepts and the statistical mechanics of surfaces is still in its infancy. [1] The second reason is that surfaces can exist in a variety of different phases. The possibility of a two-dimensional shear modulus in planar membranes shows that we must distinguish between solids and liquids when these objects are allowed to crumple into three dimensions. Hexatic membranes, with extended six-fold bond orientational order, provide yet another important possibility. All three phases have quite distinctive properties. [2, 3] There are no such sharp distinctions for linear polymer chains.


2015 ◽  
Vol 93 (1) ◽  
pp. 7-13
Author(s):  
Fatih Ahmet Celik ◽  
Sefa Kazanc

In this study, the local order and the structural evolution of the PdAg binary alloy system during the crystallization process from the amorphous phase under different pressures was investigated using the molecular dynamics simulation method. The structural development and phase transformation of the model alloy system for pressures of 0, 1, and 5 GPa are analysed based on variations of the radial distribution function, the bond orientational order parameters, and Honeycutt–Andersen bond-type index method. The simulation results showed that higher pressures favoured amorphous-type atomic clusters and had an important effect on the bond orientational order parameters of the model system of the transformation from amorphous state to stable crystal phase during the isothermal annealing.


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