scholarly journals Smeared Lattice Model as a Framework for Order to Disorder Transitions in 2D Systems

Crystals ◽  
2018 ◽  
Vol 8 (7) ◽  
pp. 290 ◽  
Author(s):  
Nadezhda Cherkas ◽  
Sergey Cherkas
Keyword(s):  
Distribution Function ◽  
Porous Alumina ◽  
Hexagonal Lattice ◽  
Square Lattice ◽  
2D Systems ◽  
Hard Disks ◽  
Ideal Crystal ◽  
Two Dimensional ◽  
Lattice Constants ◽  
Solid Films

Order to disorder transitions are important for two-dimensional (2D) objects such as oxide films with cellular porous structure, honeycomb, graphene, Bénard cells in liquid, and artificial systems consisting of colloid particles on a plane. For instance, solid films of porous alumina represent almost regular crystalline structure. We show that in this case, the radial distribution function is well described by the smeared hexagonal lattice of the two-dimensional ideal crystal by inserting some amount of defects into the lattice.Another example is a system of hard disks in a plane, which illustrates order to disorder transitions. It is shown that the coincidence with the distribution function obtained by the solution of the Percus–Yevick equation is achieved by the smoothing of the square lattice and injecting the defects of the vacancy type into it. However, better approximation is reached when the lattice is a result of a mixture of the smoothed square and hexagonal lattices. Impurity of the hexagonal lattice is considerable at short distances. Dependencies of the lattice constants, smoothing widths, and contributions of the different type of the lattices on the filling parameter are found. The transition to order looks to be an increase of the hexagonal lattice fraction in the superposition of hexagonal and square lattices and a decrease of their smearing.

scholarly journals The Quasicrystal Model as a Framework for Order to Disorder Transitions in 2D Systems

Proceedings ◽  
2018 ◽  
Vol 2 (14) ◽  
pp. 1117
Author(s):  
Nadezhda L. Cherkas ◽  
Sergey L. Cherkas
Keyword(s):  
Distribution Function ◽  
Porous Alumina ◽  
Hexagonal Lattice ◽  
Square Lattice ◽  
2D Systems ◽  
Hard Disks ◽  
Ideal Crystal ◽  
Lattice Contribution ◽  
Solid Films ◽  
Quasicrystal Structure

Order to disorder transitions are important for 2D objects such as oxide films with a cellular porous structure, honeycomb, graphene, and Bénard cells in liquid and artificial systems consisting of colloid particles on a plane. For instance, solid films of the porous alumina represent an almost regular quasicrystal structure (perfect aperiodic quasicrystals discovered in 1991 is not implied here). We show that, in this case, the radial distribution function is well described by the quasicrystal model, i.e., the smeared hexagonal lattice of the two-dimensional ideal crystal by inserting a certain amount of defects into the lattice. Another example is a system of hard disks in a plane, which illustrates the order to disorder transitions. It is shown that the coincidence with the distribution function, obtained by the solution of the Percus-Yevick equation, is achieved by the smoothing of the square lattice and injecting the defects of the vacancy type into it. However, a better approximation is reached when the lattice is a result of a mixture of the smoothened square and hexagonal lattices. Impurity of the hexagonal lattice is considerable at short distances. Dependences of the lattices constants, smoothing widths, and impurity on the filling parameter are found. Transition to the order occurs upon an increasing of the hexagonal lattice contribution and decreasing of smearing.

Molecular Dynamics Simulations of Shock-Defect Interactions in Two-Dimensional Nonreactive Crystals

1992 ◽  
Vol 296 ◽  
Author(s):  
Robert S. Sinkovits ◽  
Lee Phillips ◽  
Elaine S. Oran ◽  
Jay P. Boris
Keyword(s):  
Molecular Dynamics ◽  
Hexagonal Lattice ◽  
Square Lattice ◽  
Two Dimensional ◽  
Connection Machine ◽  
Defect Sites ◽  
Principal Axes ◽  
Shock Motion ◽  
Defect Interactions ◽  
Dynamics Simulations

AbstractThe interactions of shocks with defects in two-dimensional square and hexagonal lattices of particles interacting through Lennard-Jones potentials are studied using molecular dynamics. In perfect lattices at zero temperature, shocks directed along one of the principal axes propagate through the crystal causing no permanent disruption. Vacancies, interstitials, and to a lesser degree, massive defects are all effective at converting directed shock motion into thermalized two-dimensional motion. Measures of lattice disruption quantitatively describe the effects of the different defects. The square lattice is unstable at nonzero temperatures, as shown by its tendency upon impact to reorganize into the lower-energy hexagonal state. This transition also occurs in the disordered region associated with the shock-defect interaction. The hexagonal lattice can be made arbitrarily stable even for shock-vacancy interactions through appropriate choice of potential parameters. In reactive crystals, these defect sites may be responsible for the onset of detonation. All calculations are performed using a program optimized for the massively parallel Connection Machine.

A Two-Dimensional Structure Factor Calculation for the Cu-1 Plane in YBa2Cu3O6

1998 ◽  
Vol 12 (29n31) ◽  
pp. 3091-3094
Author(s):  
Taner Edis ◽  
J. D. Fan ◽  
D. Bagayoko ◽  
J. T. Wang
Keyword(s):  
Molecular Dynamics ◽  
Distribution Function ◽  
Molecular Dynamics Simulation ◽  
Structure Factor ◽  
Dynamics Simulation ◽  
Square Lattice ◽  
Dimensional Structure ◽  
Two Dimensional ◽  
2D Structure ◽  
Screened Coulomb Potential

The anisotropic radial distribution function and two-dimensional (2D) structure factor was calculated for the Cu-1 plane in YBa2Cu3O 6+x when x ≈ 0, based on data generated by a molecular dynamics simulation. The results indicate a stable square lattice and support the validity of layered two-dimensional screened Coulomb potential used in the simulation.

scholarly journals Two-dimensional iodine-monofluoride epitaxy on WSe2

2021 ◽  
Vol 5 (1) ◽  
Author(s):  
Yung-Chang Lin ◽  
Sungwoo Lee ◽  
Yueh-Chiang Yang ◽  
Po-Wen Chiu ◽  
Gun-Do Lee ◽  
...  
Keyword(s):  
Density Functional ◽  
Surface Passivation ◽  
Hexagonal Lattice ◽  
Chemical Vapor ◽  
Growth Promoter ◽  
Two Dimensional ◽  
Epitaxial Relationship ◽  
Chemical Vapor Deposition Growth ◽  
Scanning Transmission ◽  
Great Possibility

AbstractInterhalogen compounds (IHCs) are extremely reactive molecules used for halogenation, catalyst, selective etchant, and surface modification. Most of the IHCs are unstable at room temperature especially for the iodine-monofluoride (IF) whose structure is still unknown. Here we demonstrate an unambiguous observation of two-dimensional (2D) IF bilayer grown on the surface of WSe2 by using scanning transmission electron microscopy and electron energy loss spectroscopy. The bilayer IF shows a clear hexagonal lattice and robust epitaxial relationship with the WSe2 substrate. Despite the IF is known to sublimate at −14 °C and has never found as a solid form in the ambient condition, but surprisingly it is found stabilized on a suitable substrate and the stabilized structure is supported by a density functional theory. This 2D form of IHC is actually a byproduct during a chemical vapor deposition growth of WSe2 in the presence of alkali metal halides as a growth promoter and requires immediate surface passivation to sustain. This work points out a great possibility to produce 2D structures that are unexpected to be crystallized or cannot be obtained by a simple exfoliation but can be grown only on a certain substrate.

Strukturvarianten des MgCu2-Typs: Die Verbindungen Mg2Ni3P und Mg2Ni3As / Variants of the MgCu2 Type: The Compounds Mg2Ni3P and Mg2Ni3As

1992 ◽  
Vol 47 (10) ◽  
pp. 1351-1354 ◽  
Author(s):  
Viktor Keimes ◽  
Albrecht Mewis
Keyword(s):  
Single Crystal ◽  
Homogeneity Range ◽  
Hexagonal Lattice ◽  
Structure Type ◽  
Type Structure ◽  
X Ray ◽  
Lattice Constants ◽  
Metal Atoms ◽  
Rhombohedral Symmetry

The compounds Mg2Ni3P and Mg2Ni3As were prepared by heating the elements. Their structures have been determined from single-crystal X-ray data. The structure of the phosphide is a rhombohedral ternary variant of the cubic Laves structure type MgCu2 (R 3̄ m; hexagonal lattice constants: a = 4.971(0) Å, c = 10.961(2) Å). The ordered substitution of one quarter of the metal atoms by phosphorus and the resulting shorter distances are responsible for the rhombohedral symmetry.The arsenide crystallizes in the MgCu2 type structure (Fd 3 m; a = 6.891(1)A, composition Mg2Ni3As) with a statistic distribution of the Ni and As atoms; the relevant homogeneity range extends from Mg2Ni2.9As1.1 to Mg2Ni3.5As0.5.

Two‐Dimensional V‐VI Binary Nanosheets with Square Lattice: A Theoretical Investigation

2021 ◽  
Author(s):  
Xin Qiao ◽  
Xiaodong Lv ◽  
Yinan Dong ◽  
Yanping Yang ◽  
Fengyu Li
Keyword(s):  
Theoretical Investigation ◽  
Square Lattice ◽  
Two Dimensional

scholarly journals Structural Disorder and Collective Behavior of Two-Dimensional Magnetic Nanostructures

Nanomaterials ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 1392
Author(s):  
David Gallina ◽  
G. M. Pastor
Keyword(s):  
Interaction Energy ◽  
Time Evolution ◽  
Magnetic Nanostructures ◽  
Thermal Quenching ◽  
Structural Disorder ◽  
Square Lattice ◽  
Multiple Time Scales ◽  
Multiple Time ◽  
Two Dimensional ◽  
Energy Landscapes

Structural disorder has been shown to be responsible for profound changes of the interaction-energy landscapes and collective dynamics of two-dimensional (2D) magnetic nanostructures. Weakly-disordered 2D ensembles have a few particularly stable magnetic configurations with large basins of attraction from which the higher-energy metastable configurations are separated by only small downward barriers. In contrast, strongly-disordered ensembles have rough energy landscapes with a large number of low-energy local minima separated by relatively large energy barriers. Consequently, the former show good-structure-seeker behavior with an unhindered relaxation dynamics that is funnelled towards the global minimum, whereas the latter show a time evolution involving multiple time scales and trapping which is reminiscent of glasses. Although these general trends have been clearly established, a detailed assessment of the extent of these effects in specific nanostructure realizations remains elusive. The present study quantifies the disorder-induced changes in the interaction-energy landscape of two-dimensional dipole-coupled magnetic nanoparticles as a function of the magnetic configuration of the ensembles. Representative examples of weakly-disordered square-lattice arrangements, showing good structure-seeker behavior, and of strongly-disordered arrangements, showing spin-glass-like behavior, are considered. The topology of the kinetic networks of metastable magnetic configurations is analyzed. The consequences of disorder on the morphology of the interaction-energy landscapes are revealed by contrasting the corresponding disconnectivity graphs. The correlations between the characteristics of the energy landscapes and the Markovian dynamics of the various magnetic nanostructures are quantified by calculating the field-free relaxation time evolution after either magnetic saturation or thermal quenching and by comparing them with the corresponding averages over a large number of structural arrangements. Common trends and system-specific features are identified and discussed.

scholarly journals Entropy, Information, and Symmetry: Ordered is Symmetrical

Entropy ◽  
2019 ◽  
Vol 22 (1) ◽  
pp. 11 ◽  
Author(s):  
Edward Bormashenko
Keyword(s):  
Binary System ◽  
Physical System ◽  
Quantitative Measure ◽  
2D Systems ◽  
Two Dimensional ◽  
One Dimensional ◽  
Entropy Information

Entropy is usually understood as the quantitative measure of “chaos” or “disorder”. However, the notions of “chaos” and “disorder” are definitely obscure. This leads to numerous misinterpretations of entropy. We propose to see the disorder as an absence of symmetry and to identify “ordering” with symmetrizing of a physical system; in other words, introducing the elements of symmetry into an initially disordered physical system. We demonstrate with the binary system of elementary magnets that introducing elements of symmetry necessarily diminishes its entropy. This is true for one-dimensional (1D) and two-dimensional (2D) systems of elementary magnets. Imposing symmetry does not influence the Landauer principle valid for the addressed systems. Imposing the symmetry restrictions onto the system built of particles contained within the chamber divided by the permeable partition also diminishes its entropy.

Spin-Singlet Ground State in Two-Dimensional S=1/2 Frustrated Square Lattice: (CuCl)LaNb2O7

2005 ◽  
Vol 74 (6) ◽  
pp. 1702-1705 ◽  
Author(s):  
H. Kageyama ◽  
T. Kitano ◽  
N. Oba ◽  
M. Nishi ◽  
S. Nagai ◽  
...  
Keyword(s):  
Ground State ◽  
Square Lattice ◽  
Singlet Ground State ◽  
Two Dimensional ◽  
Spin Singlet
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