Local rotational symmetry in the packing of uniform spheres

文献情報

出版日 2017-05-10

DOI 10.1039/C7CP01152K

インパクトファクター 3.676

著者

Z. A. Tian, K. J. Dong, A. B. Yu

原文を見る

要旨

Local rotational symmetry (LRS) of a particulate system is important for understanding its structure and phase transition. However, how to properly characterize LRS for this system is still a challenge as the system normally includes both ordered and disordered local structures. Herein, based on the so-called common neighbour subcluster (CNS), we proposed a method to characterize the LRS of uniform spheres packings with the packing fraction ρ ranging within 0.20 and 0.74. It was found that different fold LRSs coexist in most packings, and their maximum degree increases at ρ < 0.64, except for the 2-fold LRS held by 6-sphere CNS that continuously increases to form the fcc crystal at ρ = 0.74. The overall LRS involving all the CNSs monotonically increases with two critical changes at ρ = (0.35–0.40) and 0.64; the evolution of individual LRSs held by specific CNS groups critically changes at ρ ≈ (0.35–0.40), 0.50, 0.55–0.60, and 0.64. The physics corresponding to these critical changes has also been discussed. The findings will significantly enrich the understanding of the structural symmetry of materials including atoms and particles.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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.

Local rotational symmetry in the packing of uniform spheres

文献情報

おすすめジャーナル

関連文献

Biopolymer coated gold nanocrystals prepared using the green chemistry approach and their shape-dependent catalytic and surface-enhanced Raman scattering properties

Core–shell catalysts consisting of nanoporous cores for oxygen reduction reaction‡

Layer-by-layer self-assembly and disassembly of single charged inorganic small molecules: towards surface patterning

Extending the distance range accessed with continuous wave EPR with Gd3+spin probes at high magnetic fields

Stability of Si epoxide defects in Si nanowires: a mixed reactive force field/DFT study

Compact large area and high-quality Au film with a hierarchical structure and its application in SERS

Thermal unfolding and refolding of lysozyme in deep eutectic solvents and their aqueous dilutions

Assemblies of polyvinylpyrrolidone-capped tetrahedral and spherical Pt nanoparticles in polyelectrolytes: hydrogen underpotential deposition and electrochemical characterization

An ENDOR and DFT analysis of hindered methyl group rotations in frozen solutions of bis(acetylacetonato)-copper(ii)

A low-cost bio-inspired integrated carbon counter electrode for high conversion efficiency dye-sensitized solar cells

こちらもおすすめ

2-メトキシ-4-(メチルスルフィニル)アミンの主な用途は何ですか？

4-溴甲基-3-甲氧基苯甲酸は安全ですか？

4,6-二氯-N-甲基ピラミジンアミンの代替品はありますか？

6-氯-4-甲基-1H-吲哚を含む廃棄物はどのように処理すべきですか？

2-フローユロ-4-(トリフルオロメチル)ベンゾイドについて「に適用される法規ガイドラインは何ですか」

4-ニトロフェニルN-[(ベンゼルオキシルカーボンイル]グリシングリシングリシン酸はどのように保存すればよいですか？

イソデスロラタドリンの代替品はありますか？

5-甲氧基-1,2,3,4-四氢异喹啉盐酸盐はどのように合成されますか？

4-アミノ-5-メトキシ-2-トルエンサルホニック酸についての法規ガイドラインは何ですか？

甲基孕酮を取り扱う際の実験室安全事項は何ですか？

掲載誌

Physical Chemistry Chemical Physics

おすすめ化合物

Potassium phosphate hydrate (3:1:1)

11-Dodecyn-1-ol

3-(Methylamino)-1-phenyl-1-propanone hydrochloride (1:1)

1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione

(1H-Benzotriazol-1-yloxy)(di-1-pyrrolidinyl)methylium hexafluorophosphate

おすすめサプライヤー