Nature of the Electronic and Optical Excitations of Ruddlesden–Popper Hybrid Organic–Inorganic Perovskites: The Role of the Many-Body Interactions

2018 ◽  
Vol 9 (19) ◽  
pp. 5891-5896 ◽  
Author(s):  
Giacomo Giorgi ◽  
Koichi Yamashita ◽  
Maurizia Palummo
2021 ◽  
Vol 118 (11) ◽  
pp. 113101
Author(s):  
Xiaoli Zhu ◽  
Siting Ding ◽  
Lihui Li ◽  
Ying Jiang ◽  
Biyuan Zheng ◽  
...  

1992 ◽  
Vol 278 ◽  
Author(s):  
J. A. Rifkin ◽  
C. S. Becquart ◽  
D. Kim ◽  
P. C. Clapp

AbstractWe have carried out a series of atomistic simulations on arrays of about 10,000 atoms containing an atomically sharp crack and subjected to increasing stress levels. The ordered stoichiometric alloys B2 NiAl, B2 RuAl and A15 Nb3AI have been studied at different temperatures and stress levels, as well as the elements Al, Ni, Nb and Ru. The many body interactions used in the simulations were derived semi-empirically, using techniques related to the Embedded Atom Method. Trends in dislocation generation rates and crack propagation modes will be discussed and compared to experimental indications where possible, and some of the simulations will be demonstrated in the form of computer movies.


2009 ◽  
Vol 109 (4) ◽  
pp. 664-666 ◽  
Author(s):  
S. I. Pesotskiĭ ◽  
R. B. Lyubovskiĭ ◽  
M. V. Kartsovnik ◽  
W. Biberacher ◽  
N. D. Kushch ◽  
...  

2008 ◽  
Vol 59 ◽  
pp. 63-68
Author(s):  
Václav Paidar

Two basic processes, namely shear and shuffling of atomic planes can be considered as elementary mechanisms of displacive phase transformations. The atomistic models suitable to investigate the role of interfaces in the structural changes are tested. The many-body potentials are used for the description of interatomic forces. General displacements of atomic planes are examined, i.e. γ-surface type calculations extensively used for stacking fault and lattice dislocation analysis are applied to single plane shuffling and alternate shuffling of every other atomic plane producing in combination with homogeneous deformation the hcp structure. Similar approach considering shear type planar displacements leads to the Zener path between the bcc and fcc lattices. The effect of additional deformation required to obtain the close-packed atomic arrangements is analysed.


2020 ◽  
Vol 93 (9) ◽  
Author(s):  
Edith Djoukouo Ngueyounou ◽  
Kanabet Yapara ◽  
Celsus Bouri ◽  
Hugues Merlain Tetchou Nganso ◽  
Moïse Godfroy Kwato Njock

Mathematics ◽  
2021 ◽  
Vol 9 (11) ◽  
pp. 1160
Author(s):  
Václav Snášel ◽  
Pavla Dráždilová ◽  
Jan Platoš

Many real networks in biology, chemistry, industry, ecological systems, or social networks have an inherent structure of simplicial complexes reflecting many-body interactions. Over the past few decades, a variety of complex systems have been successfully described as networks whose links connect interacting pairs of nodes. Simplicial complexes capture the many-body interactions between two or more nodes and generalized network structures to allow us to go beyond the framework of pairwise interactions. Therefore, to analyze the topological and dynamic properties of simplicial complex networks, the closed trail metric is proposed here. In this article, we focus on the evolution of simplicial complex networks from clicks and k-CT graphs. This approach is used to describe the evolution of real simplicial complex networks. We conclude with a summary of composition k-CT graphs (glued graphs); their closed trail distances are in a specified range.


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