Properties of kinetic transition networks for atomic clusters and glassy solids
Literature Information
John W. R. Morgan, Dhagash Mehta, David J. Wales
A database of minima and transition states corresponds to a network where the minima represent nodes and the transition states correspond to edges between the pairs of minima they connect via steepest-descent paths. Here we construct networks for small clusters bound by the Morse potential for a selection of physically relevant parameters, in two and three dimensions. The properties of these unweighted and undirected networks are analysed to examine two features: whether they are small-world, where the shortest path between nodes involves only a small number or edges; and whether they are scale-free, having a degree distribution that follows a power law. Small-world character is present, but statistical tests show that a power law is not a good fit, so the networks are not scale-free. These results for clusters are compared with the corresponding properties for the molecular and atomic structural glass formers ortho-terphenyl and binary Lennard-Jones. These glassy systems do not show small-world properties, suggesting that such behaviour is linked to the structure-seeking landscapes of the Morse clusters.
Related Literature
The electronic structure of Ag1−xSn1+xSe2 (x = 0.0, 0.1, 0.2, 0.25 and 1.0)
Takanori Wakita, Eugenio Paris, Kaya Kobayashi, Kensei Terashima, Teppei Ueno, Federica Bondino, Luca Olivi, Jun Akimitsu, Yuji Muraoka, Takayoshi Yokoya, Naurang L. Saini
DOI: 10.1039/C7CP05369J
SO3 formation from the X-ray photolysis of SO2 astrophysical ice analogues: FTIR spectroscopy and thermodynamic investigations
Víctor de Souza Bonfim, Roberto Barbosa de Castilho, Leonardo Baptista
DOI: 10.1039/C7CP03679E
Quantitative probing of subtle interactions among H-bonds in alpha hydroxy carboxylic acid complexes
Peifeng Su, Yong Xia, Zhijun Yang, Carl O. Trindle, Joseph L. Knee
DOI: 10.1039/C7CP03917D
Capture of Xe and Ar atoms by quantized vortices in 4He nanodroplets
DOI: 10.1039/C7CP03307A
A study on the electronic and interfacial structures of monolayer ReS2–metal contacts
Guofeng Yang, Rui Sun, Pengfei Yan, Yanan Lu, Junjun Xue, Guoqing Chen
DOI: 10.1039/C7CP05386J
Electrostatic interactions in concentrated colloidal dispersions
DOI: 10.1039/C7CP02594G
Covalent-reaction-induced interfacial assembly to transform doxorubicin into nanophotomedicine with highly enhanced anticancer efficiency
Jinbo Fei, Ganglong Cui, Xiangyang Liu, Weihai Fang
DOI: 10.1039/C7CP02543B
Modeling the impedance spectra of mixed conducting thin films with exposed and embedded current collectors
Jiapeng Liu
DOI: 10.1039/C7CP03703A
Formation of titanium dioxide core–shell microcapsules through a binary-phase spray technique
Jonatan Bergek, Björn Elgh, Anders E. C. Palmqvist, Lars Nordstierna
DOI: 10.1039/C7CP02571H
Acceleration of diffusion in ethylammonium nitrate ionic liquid confined between parallel glass plates
Oleg I. Gnezdilov, Nicklas Hjalmarsson, Oleg N. Antzutkin, István Furó
DOI: 10.1039/C7CP01772C
You might also like
What is 3-Fluoro-2-methylbenzylamine (CAS: 771573-36-5)?
3-Fluoro-2-methylbenzylamine is an organic compound with the CAS number 771573-3...
Is Tert-butyl 2-(oxetan-3-ylidene)acetate (CAS: 1207175-03-8) safe?
Tert-butyl 2-(oxetan-3-ylidene)acetate is considered safe for its intended uses ...
What precautions should be taken when handling 4-Acetyl-2-fluorobenzonitrile (CAS: 214760-18-6)?
Proper personal protective equipment (PPE) such as gloves, goggles, and a lab co...
How is 2-Ethyl-4-methyl-1,3-thiazole (CAS: 15679-12-6) typically synthesized?
2-Ethyl-4-methyl-1,3-thiazole is commonly synthesized via the reaction of thiour...
How should 5',5''-([2,2'-Bithiophene]-5,5'-diyl)bis(([1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid)) (CAS: 1227780-71-3) be stored?
This compound should be stored in a cool, dry place away from direct sunlight an...
What regulatory guidelines apply to L-Lysine Acetate Salt (CAS: 52315-92-1)?
L-Lysine Acetate Salt (CAS: 52315-92-1) is subject to various regulatory guideli...
Is 6-Fluoro-3-hydroxy-2-pyrazinecarboxamide (CAS: 259793-96-9) safe?
6-Fluoro-3-hydroxy-2-pyrazinecarboxamide (CAS: 259793-96-9) is generally conside...
What are the physical and chemical properties of 1,1'-Sulfonylbis(1H-imidazole) (CAS: 7189-69-7)?
1,1'-Sulfonylbis(1H-imidazole) is a crystalline solid with a molecular weight of...
What industries use 4-methyl-7-nitro-1H-indole-3-carbonitrile (CAS: 289483-82-5)?
4-Methyl-7-nitro-1H-indole-3-carbonitrile (CAS: 289483-82-5) is primarily used i...
How should waste containing 5-Bromo-3-indolyl-beta-galactoside (CAS: 97753-82-7) be handled?
Waste containing 5-Bromo-3-indolyl-beta-galactoside (CAS: 97753-82-7) should be ...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










![5-(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine structure 5-(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridazin-3-amine structure](https://static.chemtradehub.com/structs/865/865362-74-9-0091.webp)
![O-Benzyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine structure O-Benzyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine structure](https://static.chemtradehub.com/structs/198/198561-81-8-a56e.webp)


![2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine structure 2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine structure](https://static.chemtradehub.com/structs/105/1053228-28-6-fba3.webp)