Extended short-range order determines the overall structure of liquid gallium
文献情報
Anatolii V. Mokshin, Ramil M. Khusnutdinoff, Bulat N. Galimzyanov, Vadim V. Brazhkin
Polyvalent metal melts (gallium, tin, bismuth, etc.) have microscopic structural features, which are detected by neutron and X-ray diffraction and which are absent in simple liquids. Based on neutron and X-ray diffraction data and the results of ab initio molecular dynamics simulations for liquid gallium, we examine the structure of this liquid metal at the atomistic level. Time-resolved cluster analysis allows one to reveal that the short-range structural order in liquid gallium is determined by a range of the correlation lengths. This analysis, performed on a set of independent samples corresponding to equilibrium liquid phase, discloses that there are no stable crystalline domains and molecule-like Ga2 dimers typical for crystal phases of gallium. The structure of liquid gallium can be reproduced by the simplified model of the close-packed system of soft quasi-spheres. The results can be applied to analyze the fine structure of other polyvalent liquid metals.
関連文献
An oxygen-vacancy rich 3D novel hierarchical MoS2/BiOI/AgI ternary nanocomposite: enhanced photocatalytic activity through photogenerated electron shuttling in a Z-scheme manner
M. Jahurul Islam, D. Amaranatha Reddy, Noh Soo Han, Jiha Choi, Jae Kyu Song, Tae Kyu Kim
DOI: 10.1039/C6CP02246D
A computational study of the competing reaction mechanisms of the photo-catalytic reduction of CO2 on anatase(101)
Chung Man Ip, Alessandro Troisi
DOI: 10.1039/C6CP02642G
The influence of mass-transport conditions on the ethanol oxidation reaction (EOR) mechanism of Pt/C electrocatalysts
Carsten Cremers
DOI: 10.1039/C6CP04294E
Establishing the pivotal role of local aromaticity in the electronic properties of boron-nitride graphene lateral hybrids
Claude Pouchan, Michel Rérat, Panaghiotis Karamanis
DOI: 10.1039/C6CP04502B
A robust salt-tolerant superoleophobic aerogel inspired by seaweed for efficient oil–water separation in marine environments
Yuqi Li, Hui Zhang, Jiandong Zhuang, Lihui Chen
DOI: 10.1039/C6CP04284H
Evidence of spin-temperature in dynamic nuclear polarization: an exact computation of the EPR spectrum
Filippo Caracciolo, Marta Filibian, Pietro Carretta, Alberto Rosso, Andrea De Luca
DOI: 10.1039/C6CP05047F
The growth and thermal properties of Au deposited on Rh(111): formation of an ordered surface alloy
László Óvári, András Berkó, Gábor Vári, Richárd Gubó, Arnold Péter Farkas
DOI: 10.1039/C6CP02128J
An alternative explanation of the cononsolvency of poly(N-isopropylacrylamide) in water–methanol solutions
Andrea Pica, Giuseppe Graziano
DOI: 10.1039/C6CP04753J
A phenomenological model of the solvent-assisted lipid bilayer formation method
DOI: 10.1039/C6CP04816A
Encapsulation capacity and natural payload delivery of an anticancer drug from boron nitride nanotube
M. El Khalifi, J. Bentin, E. Duverger, T. Gharbi, H. Boulahdour, F. Picaud
DOI: 10.1039/C6CP01387B
こちらもおすすめ
2,3-スチオエポキシマドルを取り扱う際の実験室安全事項は何ですか?
取り扱いにはPPE(プロテクティブ・パーソナル・エイド)が必要で、防ぐ手袋と保護眼鏡を着用してください。ドラフトチャンバーの使用を推奨します。漏洩した場合は、適...
BOC-S-3-アミニ-4-(4-メチオキシベンチル)-ブタン酸の代替品はありますか?
この化合物の代替品としては、BOC保護基を有さないアミノ酸やその他の保護基化合物が考えられます。また、メチオキシ基を有しない他の芳香族アミノ酸も代替品として挙げ...
Methyl 2-(chloromethyl)-3-nitrobenzoate(1218910-61-2)の代替品はありますか?
Methyl 2-(chloromethyl)-3-nitrobenzoate(1218910-61-2)の代替品としては、化学組成を変えることで効果を達成する...
(2R)-2-アミノ-N-ベンジル-3-ヒドロキシプロパナミドを含む廃棄物はどのように処理すべきですか?
(2R)-2-アミノ-N-ベンジル-3-ヒドロキシプロパナミドを含む廃棄物は、適切な廃棄物管理ガイドラインに基づき処理する必要があります。まず、廃棄物を適切に収...
6,7-二氢-咪唑並[1,2-a]ピリドイン-8(5h)-酮はどのように合成されますか?
6,7-二氢-咪唑並[1,2-a]ピリドイン-8(5h)-酮は、2-ブロモフェニルアセトインとリン酸ハロゲン化物を反応させることで合成できます。この反応は高温で...
エチル(3R)-3-ピロリジニル酢酸水和塩とは何ですか?
エチル(3R)-3-ピロリジニル酢酸水和塩は、CAS番号1332459-32-1の化合物で、(R)-乙基2-(ピロリジン-3-基)酢酸塩水和塩と呼ばれます。この...
(2S)-{[(2-メチルエチルオキシ]カルボニル}アミノ)[2-(トリアフルオロメチルフェニル]エチカシック酸の物理化学的性質は何ですか?
(2S)-{[(2-メチルエチルオキシ]カルボニル}アミノ)[2-(トリアフルオロメチルフェニル]エチカシック酸のCAS番号は1203454-45-8です。この...
2-ブロモ-1-(2-メチル-2-プロパニル)-4-ニトロベンゼンはどのように保存すればよいですか?
2-ブロモ-1-(2-メチル-2-プロパニル)-4-ニトロベンゼンは、直射日光を避けて暗所で、室温(約15℃〜25℃)、乾燥した場所に保存する必要があります。ま...
1-[(4-硝基フェニル)スルホニル]-1H-1,2,4-三唑の市場動向や研究トレンドはどうですか?
市場動向としては、1-[(4-硝基フェニル)スルホニル]-1H-1,2,4-三唑は主に農業用除草剤や合成化学製品の原料として利用されています。研究トレンドとして...
掲載誌
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.










![Benzeneacetic acid, 2-bromo-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)- structure Benzeneacetic acid, 2-bromo-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)- structure](https://static.chemtradehub.com/structs/122/1228547-87-2-f296.webp)
![[(2R)-6,6-Dimethyl-2-morpholinyl]methanol hydrochloride (1:1) structure [(2R)-6,6-Dimethyl-2-morpholinyl]methanol hydrochloride (1:1) structure](https://static.chemtradehub.com/structs/141/1416444-88-6-e06a.webp)


