Bond Energies and the Interactions between Next‐Nearest Neighbors. II. Theoretical Calculations of Next‐Nearest‐Neighbor Interaction Energies in Saturated Hydrocarbons

1965 ◽  
Vol 43 (12) ◽  
pp. 4472-4478 ◽  
Author(s):  
Maurizio Cignitti ◽  
Thomas L. Allen
Keyword(s):  
Nearest Neighbor ◽  
Theoretical Calculations ◽  
Nearest Neighbors ◽  
Interaction Energies ◽  
Bond Energies ◽  
Neighbor Interaction ◽  
Saturated Hydrocarbons

PHASE TRANSITIONS OF THE MIXED-SPIN ISING MODEL ON A DECORATED LATTICE WITH THE NEAREST-NEIGHBOR INTERACTION BETWEEN DECORATING SPINS

2009 ◽  
Vol 23 (24) ◽  
pp. 4963-4976 ◽  
Author(s):  
A. BENYOUSSEF ◽  
A. EL KENZ ◽  
M. EL YADARI ◽  
M. LOULIDI
Keyword(s):  
Phase Transitions ◽  
Ising Model ◽  
Phase Diagrams ◽  
Nearest Neighbor ◽  
Mean Field ◽  
Nearest Neighbors ◽  
Field Approximation ◽  
Mean Field Approximation ◽  
Neighbor Interaction ◽  
Mixed Spin

A mean-field approximation is developed for a decorated ferrimagnetic Ising model, in which the two magnetic atoms A and B have spins σ=1/2 and S=1, respectively. In this system, the exchange interaction between nearest-neighbors of atom B is taken into account. Some interesting phenomena, such as the appearance of three types of phase diagrams and the existence of one and two compensation points are found. Phase diagrams and temperature dependence of the magnetizations of the system are investigated in detail.

scholarly journals Ripples in Graphene: A Variational Approach

2020 ◽  
Vol 379 (3) ◽  
pp. 915-954
Author(s):  
Manuel Friedrich ◽  
Ulisse Stefanelli
Keyword(s):  
Ground State ◽  
Energy Minimization ◽  
Variational Approach ◽  
Nearest Neighbor ◽  
Interaction Energies ◽  
Dimensional Problem ◽  
Neighbor Interaction ◽  
Configurational Energy ◽  
One Dimensional ◽  
Math Phys

Abstract Suspended graphene samples are observed to be gently rippled rather than being flat. In Friedrich et al. (Z Angew Math Phys 69:70, 2018), we have checked that this nonplanarity can be rigorously described within the classical molecular-mechanical frame of configurational-energy minimization. There, we have identified all ground-state configurations with graphene topology with respect to classes of next-to-nearest neighbor interaction energies and classified their fine nonflat geometries. In this second paper on graphene nonflatness, we refine the analysis further and prove the emergence of wave patterning. Moving within the frame of Friedrich et al. (2018), rippling formation in graphene is reduced to a two-dimensional problem for one-dimensional chains. Specifically, we show that almost minimizers of the configurational energy develop waves with specific wavelength, independently of the size of the sample. This corresponds remarkably to experiments and simulations.

Computer simulation of phase transitions of the Heisenberg antiferromagnetic model

2019 ◽  
pp. 25-31
Author(s):  
M.K. Ramazanov ◽  
A.K. Murtazaev
Keyword(s):  
Computer Simulation ◽  
Phase Transitions ◽  
Nearest Neighbor ◽  
Three Dimensional ◽  
Exchange Interactions ◽  
Nearest Neighbors ◽  
Neighbor Interaction ◽  
A Value ◽  
The Monte Carlo Method ◽  
Antiferromagnetic Model

Based on the replica algorithm by the Monte Carlo method, a computer simulation of the three-dimensional antiferromagnetic Heisenberg model is performed, taking into account the interactions of the first and second nearest neighbors. The phase transitions of this model are studied. The investigations were carried out for the ratios of the exchange interactions of the first and second nearest neighbors $r = J_2 / J_1$ in the range $0.0 \leq r \leq 1.0$. The phase diagram of the critical temperature dependence on a value of the next-nearest neighbor interaction is plotted.

scholarly journals Linked Cluster Expansions Beyond Nearest Neighbor Interactions: Convergence and Graph Classes

1997 ◽  
Vol 12 (21) ◽  
pp. 3739-3757 ◽  
Author(s):  
Andreas Pordt ◽  
Thomas Reisz
Keyword(s):  
Random Walks ◽  
Cluster Expansion ◽  
Nearest Neighbor ◽  
Nearest Neighbors ◽  
Radius Of Convergence ◽  
Neighbor Interaction ◽  
Cluster Expansions ◽  
Graph Classes ◽  
Expansion Series ◽  
General Conditions

We generalize the technique of linked cluster expansions on hypercubic lattices to actions that couple fields at lattice sites which are not nearest neighbors. We show that in this case the graphical expansion can be arranged in such a way that the classes of graphs to be considered are identical to those of the pure nearest neighbor interaction. The only change then concerns the computation of lattice imbedding numbers. All the complications that arise can be reduced to a generalization of the notion of free random walks, including hopping beyond nearest neighbor. Explicit expressions for combinatorical numbers of the latter are given. We show that under some general conditions the linked cluster expansion series have a nonvanishing radius of convergence.

The Role of Next-Nearest Neighbors in The Neel Model of Surface Anisotropy for BCC Crystals

1991 ◽  
Vol 231 ◽  
Author(s):  
Robert L. White ◽  
Bruce M. Clemens
Keyword(s):  
Experimental Data ◽  
Thin Films ◽  
Nearest Neighbor ◽  
Nearest Neighbors ◽  
Surface Anisotropy ◽  
Neighbor Interaction ◽  
Dominant Source ◽  
Cast Doubt

AbstractWe have extended the Neél model of surface anisotropy in b.c.c. crystals to include next nearest neighbor interaction. Fitting the experimental data for Fe (001) and (110) surfaces leads to some pradoxes which cast doubt on the Neél surface anisotropy as the dominant source of surface anisotropy in thin films.

Observation of Superlattice Dislocations on Cube Planes in Ni3Al

1973 ◽  
Vol 31 ◽  
pp. 174-175 ◽  
Author(s):  
J. M. Oblak ◽  
W. H. Rand
Keyword(s):  
Nearest Neighbor ◽  
Antiphase Boundary ◽  
Nearest Neighbors ◽  
High Energy ◽  
Cross Slip ◽  
Octahedral Plane ◽  
Trapping Mechanism ◽  
Slip Traces

The energy of an a/2 <110> shear antiphase. boundary in the Ll2 expected to be at a minimum on {100} cube planes because here strue ture is there is no violation of nearest-neighbor order. The latter however does involve the disruption of second nearest neighbors. It has been suggested that cross slip of paired a/2 <110> dislocations from octahedral onto cube planes is an important dislocation trapping mechanism in Ni3Al; furthermore, slip traces consistent with cube slip are observed above 920°K.Due to the high energy of the {111} antiphase boundary (> 200 mJ/m2), paired a/2 <110> dislocations are tightly constricted on the octahedral plane and cannot be individually resolved.

Temporal Changes in Habitat Selection and Nest Spacing in a Colony of Ross' and Lesser Snow Geese

The Auk ◽  
1983 ◽  
Vol 100 (2) ◽  
pp. 335-343 ◽  
Author(s):  
M. Robert McLandress
Keyword(s):  
Nearest Neighbor ◽  
Average Distance ◽  
Habitat Preferences ◽  
Nearest Neighbors ◽  
Nest Density ◽  
Snow Goose ◽  
Snow Geese ◽  
Lesser Snow Geese ◽  
Average Size ◽  
Island Habitats

Abstract I studied the nesting colony of Ross' Geese (Chen rossii) and Lesser Snow Geese (C. caerulescens caerulescens) at Karrak Lake in the central Arctic of Canada in the summer of 1976. Related studies indicated that this colony had grown from 18,000 birds in 1966-1968 to 54,500 birds in 1976. In 1976, geese nested on islands that were used in the late 1960's and on an island and mainland sites that were previously unoccupied. Average nest density in 1976 was three-fold greater than in the late 1960's. Consequently, the average distance to nearest neighbors of Ross' Geese in 1976 was half the average distance determined 10 yr earlier. The mean clutch size of Ross' Geese was greater in island habitats where nest densities were high than in less populated island or mainland habitats. The average size of Snow Goose clutches did not differ significantly among island habitats but was larger at island than at mainland sites. Large clutches were most likely attributable to older and/or earlier nesting females. Habitat preferences apparently differed between species. Small clutches presumably indicated that young geese nested in areas where nest densities were low. The establishment of mainland nesting at Karrak Lake probably began with young Snow Geese using peripheral areas of the colony. Young Ross' Geese nested in sparsely populated habitats on islands to a greater extent than did Snow Geese. Ross' Geese also nested on the mainland but in lower densities than Ross' Geese nesting in similar island habitats. Successful nests with the larger clutches had closer conspecific neighbors than did successful nests with smaller clutches. The species composition of nearest neighbors changed significantly with distance from Snow Goose nests but not Ross' Goose nests. Nesting success was not affected by the species of nearest neighbor, however. Because they have complementary antipredator adaptations, Ross' and Snow geese may benefit by nesting together.

scholarly journals Tropical Balls and Its Applications to K Nearest Neighbor over the Space of Phylogenetic Trees

Mathematics ◽  
2021 ◽  
Vol 9 (7) ◽  
pp. 779
Author(s):  
Ruriko Yoshida
Keyword(s):  
Supervised Learning ◽  
Phylogenetic Trees ◽  
Nearest Neighbor ◽  
Nearest Neighbors ◽  
High Dimensional ◽  
Learning Method ◽  
Dimensional Vector ◽  
K Nearest Neighbor ◽  
K Nearest Neighbors

A tropical ball is a ball defined by the tropical metric over the tropical projective torus. In this paper we show several properties of tropical balls over the tropical projective torus and also over the space of phylogenetic trees with a given set of leaf labels. Then we discuss its application to the K nearest neighbors (KNN) algorithm, a supervised learning method used to classify a high-dimensional vector into given categories by looking at a ball centered at the vector, which contains K vectors in the space.

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