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Journal articles on the topic 'Structure locale des liquides'

Author: Grafiati

Published: 25 May 2024

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1

Simonet, V., and R. Bellissent. "La structure des liquides simples et des alliages liquides métalliques." Journal de Physique IV (Proceedings) 111 (September 2003): 97–124. http://dx.doi.org/10.1051/jp4:2002819.

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2

Guillon, D., and A. Skoulios. "Structure colomnaire de cristaux liquides." Le Journal de Physique IV 06, no. C4 (July 1996): C4–41—C4–48. http://dx.doi.org/10.1051/jp4:1996405.

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3

Patashinski, Alexander Z., Antoni C. Mitus, and Mark A. Ratner. "Towards understanding the local structure of liquids." Physics Reports 288, no. 1-6 (September 1997): 409–34. http://dx.doi.org/10.1016/s0370-1573(97)00035-5.

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4

Sun, Jing, Xuezhi Qin, Yuxin Song, Zhenyu Xu, Chao Zhang, Wei Wang, Zhaokun Wang, Bin Wang, and Zuankai Wang. "Selective liquid directional steering enabled by dual-scale reentrant ratchets." International Journal of Extreme Manufacturing 5, no. 2 (April 27, 2023): 025504. http://dx.doi.org/10.1088/2631-7990/acccbc.

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Abstract Achieving well-controlled directional steering of liquids is of great significance for both fundamental study and practical applications, such as microfluidics, biomedicine, and heat management. Recent advances allow liquids with different surface tensions to select their spreading directions on a same surface composed of macro ratchets with dual reentrant curvatures. Nevertheless, such intriguing directional steering function relies on 3D printed sophisticated structures and additional polishing process to eliminate the inevitable microgrooves-like surface deficiency generated from printing process, which increases the manufacturing complexity and severally hinders practical applications. Herein, we developed a simplified dual-scale structure that enables directional liquid steering via a straightforward 3D printing process without the need of any physical and chemical post-treatment. The dual-scale structure consists of macroscale tilt ratchet equipped with a reentrant tip and microscale grooves that decorated on the whole surface along a specific orientation. Distinct from conventional design requiring the elimination of microgrooves-like surface deficiency, we demonstrated that the microgrooves of dual-scale structure play a key role in delaying or promoting the local flow of liquids, tuning of which could even enable liquids select different spreading pathways. This study provides a new insight for developing surfaces with tunable multi-scale structures, and also advances our fundamental understanding of the interaction between liquid spreading dynamics and surface topography.

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5

Cicco, Andrea Di. "Local structure in binary liquids probed by EXAFS." Journal of Physics: Condensed Matter 8, no. 47 (November 18, 1996): 9341–45. http://dx.doi.org/10.1088/0953-8984/8/47/026.

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6

Brion, M., and D. Luna. "Sur la structure locale des variétés sphériques." Bulletin de la Société mathématique de France 79 (1987): 211–26. http://dx.doi.org/10.24033/bsmf.2075.

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7

Lazar, Emanuel A., Jian Han, and David J. Srolovitz. "Topological framework for local structure analysis in condensed matter." Proceedings of the National Academy of Sciences 112, no. 43 (October 12, 2015): E5769—E5776. http://dx.doi.org/10.1073/pnas.1505788112.

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Physical systems are frequently modeled as sets of points in space, each representing the position of an atom, molecule, or mesoscale particle. As many properties of such systems depend on the underlying ordering of their constituent particles, understanding that structure is a primary objective of condensed matter research. Although perfect crystals are fully described by a set of translation and basis vectors, real-world materials are never perfect, as thermal vibrations and defects introduce significant deviation from ideal order. Meanwhile, liquids and glasses present yet more complexity. A complete understanding of structure thus remains a central, open problem. Here we propose a unified mathematical framework, based on the topology of the Voronoi cell of a particle, for classifying local structure in ordered and disordered systems that is powerful and practical. We explain the underlying reason why this topological description of local structure is better suited for structural analysis than continuous descriptions. We demonstrate the connection of this approach to the behavior of physical systems and explore how crystalline structure is compromised at elevated temperatures. We also illustrate potential applications to identifying defects in plastically deformed polycrystals at high temperatures, automating analysis of complex structures, and characterizing general disordered systems.

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8

Ronceray, Pierre, and Peter Harrowell. "Favoured local structures in liquids and solids: a 3D lattice model." Soft Matter 11, no. 17 (2015): 3322–31. http://dx.doi.org/10.1039/c5sm00312a.

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9

Mitov, Michel. "Les couleurs structurelles des cristaux liquides biologiques." Photoniques, no. 124 (2024): 39–43. http://dx.doi.org/10.1051/photon/202412439.

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Chitine, collagène et cellulose peuvent s’organiser en cristal liquide cholestérique. Sa structure torsadée confère aux carapaces des scarabées, écailles de poissons, plantes et fruits irisés des propriétés de réflexion sélective et de polarisation circulaire dépendantes des caractéristiques physiques de la torsion.

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10

Marín-Aguilar, Susana, Henricus H. Wensink, Giuseppe Foffi, and Frank Smallenburg. "Slowing down supercooled liquids by manipulating their local structure." Soft Matter 15, no. 48 (2019): 9886–93. http://dx.doi.org/10.1039/c9sm01746a.

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In this paper, we propose a simple directional colloidal model that reinforces the optimal icosahedral local structure of binary hard-sphere glasses. We show that this specific symmetry results in a dramatic slowing down of the dynamics.

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11

Hung, P. K., L. T. Vinh, N. T. Nhan, N. V. Hong, and T. V. Mung. "Local structure of liquids Al2O3 and GeO2 under densification." Journal of Non-Crystalline Solids 354, no. 26 (May 2008): 3093–97. http://dx.doi.org/10.1016/j.jnoncrysol.2008.01.010.

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12

Cauty, Robert. "Structure Locale de L'Espace Des Retractions D'Une Surface." Transactions of the American Mathematical Society 323, no. 1 (January 1991): 315. http://dx.doi.org/10.2307/2001628.

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13

Darré, Jean-Pierre, Roger Le Guen, and Bruno Lemery. "Changement technique et structure professionnelle locale en agriculture." Économie rurale 192, no. 1 (1989): 115–22. http://dx.doi.org/10.3406/ecoru.1989.4004.

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14

Cauty, Robert. "Structure locale de l’espace des rétractions d’une surface." Transactions of the American Mathematical Society 323, no. 1 (January 1, 1991): 315–34. http://dx.doi.org/10.1090/s0002-9947-1991-0994164-8.

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15

Madanchi, A., Ji Woong Yu, Won Bo Lee, M. R. Rahimi Tabar, and S. H. E. Rahbari. "Dynamical time scales of friction dynamics in active microrheology of a model glass." Soft Matter 17, no. 20 (2021): 5162–69. http://dx.doi.org/10.1039/d0sm02039g.

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Owing to the local/heterogeneous structures in supercooled liquids, after several decades of research, it is now clear that supercooled liquids are structurally different from their conventional liquid counterparts.

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16

Ye Cao, Ye Cao, Yinfei Yang Yinfei Yang, Xiufeng Yang Xiufeng Yang, and Zhengrong Tong Zhengrong Tong. "Simultaneous temperature and refractive index measurement of liquid using a local micro-structured f iber Bragg grating." Chinese Optics Letters 10, no. 3 (2012): 030605–30608. http://dx.doi.org/10.3788/col201210.030605.

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17

Rodriguez, V., J. Grondin, F. Adamietz, and Y. Danten. "Local Structure in Ionic Liquids Investigated by Hyper-Rayleigh Scattering." Journal of Physical Chemistry B 114, no. 46 (November 25, 2010): 15057–65. http://dx.doi.org/10.1021/jp107165k.

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18

Lindberg, Gerrick E., Joseph L. Baker, Jennifer Hanley, William M. Grundy, and Caitlin King. "Density, Enthalpy of Vaporization and Local Structure of Neat N-Alkane Liquids." Liquids 1, no. 1 (August 6, 2021): 47–59. http://dx.doi.org/10.3390/liquids1010004.

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The properties of alkanes are consequential for understanding many chemical processes in nature and industry. We use molecular dynamics simulations with the Amber force field GAFF2 to examine the structure of pure liquids at each respective normal boiling point, spanning the 15 n-alkanes from methane to pentadecane. The densities predicted from the simulations are found to agree well with reported experimental values, with an average deviation of 1.9%. The enthalpies of vaporization have an average absolute deviation from experiment of 10.4%. Radial distribution functions show that short alkanes have distinct local structures that are found to converge with each other with increasing chain length. This provides a unique perspective on trends in the n-alkane series and will be useful for interpreting similarities and differences in the n-alkane series as well as the breakdown of ideal solution behavior in mixtures of these molecules.

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19

Bornert, M., T. Bretheau, D. Caldemaison, J. Crépin, and P. Douamalin. "Approche locale de la déformation d'alliages de structure hexagonale." Matériaux & Techniques 90, no. 5-6 (2002): 88–92. http://dx.doi.org/10.1051/mattech/200290050088.

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20

Turiel, Francisco-Javier. "Décomposition locale d'une structure bihamiltonienne en produit Kronecker-symplectique." Comptes Rendus Mathematique 349, no. 1-2 (January 2011): 85–87. http://dx.doi.org/10.1016/j.crma.2010.11.022.

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21

Bhattacharjee, Anirban, Thomas S. Hofer, and Bernd M. Rode. "Local density corrected three-body distribution functions for probing local structure reorganization in liquids." Physical Chemistry Chemical Physics 10, no. 44 (2008): 6653. http://dx.doi.org/10.1039/b807305h.

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22

Welberry, Richard, and Darren Goossens. "Local order in wüstite. Fe1-xO, using a PDF approach." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C873. http://dx.doi.org/10.1107/s2053273314091268.

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Many minerals (and materials more widely) show evidence of strong and complex local structural ordering. This local ordering can affect a material's mechanical properties, its transport properties (for example, how vacancies relate to oxygen transport through the structure) and its thermodynamics, and so is clearly of prime importance. For crystalline materials the analysis of single crystal diffuse scattering (SCDS) is the most definitive way of determining local structure but for many minerals (and materials more widely) single crystals of a sufficient size for such studies are often not readily obtainable and powder diffraction data must suffice. While conventional powder XRD (e.g. using Rietveld refinement) can provide information about the average crystal structure, total scattering (TS) – which includes both Bragg peaks and diffuse scattering – is needed if information about the local structure and short-range order is to be gained. The pair distribution function (PDF) analysis of such total scattering data has become a widely used technique for extracting such local structural information from a wide variety of materials including crystalline powders, nano-materials, amorphous materials, glasses and liquids. The aim of the present work is to explore the sensitivity of the PDF methodology to various aspects of disorder and short-range order for a mineral system for which the local structure has been characterised previously using SCDS. The system chosen for this study is the non-stoichiometric iron oxide wüstite, (Fe1–xO, x = 0.057). The X-ray diffraction patterns obtained from a single crystal of wüstite show strong and richly structured diffuse scattering (see Fig. 1). This has enabled a detailed model of the defect structure to be established. The aim is to assess to what extent this defect structure model could have been established using PDF analysis of powder diffraction data.

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23

Egami, T. "Elementary excitation and energy landscape in simple liquids." Modern Physics Letters B 28, no. 14 (June 10, 2014): 1430006. http://dx.doi.org/10.1142/s0217984914300063.

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The nature of excitations in liquids has been a subject of debate for a long time. In liquids, phonons are extremely short-lived and marginalized. Instead, recent research results indicate that local topological or configurational excitations (anankeons) are the elementary excitations in high temperature metallic liquids. Local topological excitations are those which locally alter the atomic connectivity network by cutting or forming atomic bonds, and are directly tied to the atomistic origin of viscosity in the liquid. The local potential energy landscape (PEL) of anankeons represents the probability weighted projection of the global PEL to a single atom. The original PEL is an insightful concept, but is highly multi-dimensional and difficult to characterize or even to visualize. A description in terms of the local PEL for anankeons appears to offer a simpler and more effective approach toward this complex problem. At the base of these advances, is the recognition that atomic discreteness and the topology of atomic connectivity are the most crucial features of the structure in liquids, which current nonlinear continuum theories cannot fully capture. These discoveries could open the way to the explanation of various complex phenomena in liquids, such as atomic transport, fragility, and the glass transition, in terms of these excitations.

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24

Wu, Ten-Ming, Wen-Jong Ma, S. L. Chang, and Shiow-Fon Tsay. "Local geometric structures of instantaneous resonant modes in Ga liquids." Physica B: Condensed Matter 316-317 (May 2002): 606–9. http://dx.doi.org/10.1016/s0921-4526(02)00586-0.

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25

Umeda, Kenichi, Kei Kobayashi, Taketoshi Minato, and Hirofumi Yamada. "Atomic-Scale Three-Dimensional Local Solvation Structures of Ionic Liquids." Journal of Physical Chemistry Letters 11, no. 4 (January 28, 2020): 1343–48. http://dx.doi.org/10.1021/acs.jpclett.9b03874.

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26

Chakravarty, Charusita, Pablo G. Debenedetti, and Frank H. Stillinger. "Generating inherent structures of liquids: Comparison of local minimization algorithms." Journal of Chemical Physics 123, no. 20 (November 22, 2005): 206101. http://dx.doi.org/10.1063/1.2129327.

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27

Durkin, David P., Christopher D. Stachurski, Tyler Cosby, Nathaniel E. Larm, James H. Davis, and Paul C. Trulove. "Electrochemical Approach for Studying Local Dynamic Heterogeneity of Ionic Liquids Applied to Neoteric Boroniums." ECS Meeting Abstracts MA2023-02, no. 56 (December 22, 2023): 2722. http://dx.doi.org/10.1149/ma2023-02562722mtgabs.

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Ionic liquids (ILs) are liquid salts (below ca. 100 °C) whose ions can be designed to impart unique physicochemical properties. An emergent class of ILs based on the boronium cation (BILs) can have unique zwitterionic structure within the cation that presents potential for electrochemical applications. In the present study we first show how broadband dielectric spectroscopy (BDS) can be used to evaluate local dynamic heterogeneity in imidazolium-based ionic liquid systems. We then apply this approach to a series of BILs (coupled with the bis(trifluoro-methanesulfonyl)imide ([Tf2N]–) anion), whose cationic structures show similar features, suggesting may have potential to promote more favorable ion transport for application in supercapacitors. Preliminary cyclic voltammetry and electrochemical impedance spectroscopy data will also be shown that evaluates the chemical stability of each BILs when combined with common electrode materials.

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28

Tanaka, Miyuki, Tomoaki Yago, and Masanobu Wakasa. "Local structure of ionic liquids probed by self-quenching of thiobenzophenone." Phys. Chem. Chem. Phys. 15, no. 3 (2013): 787–94. http://dx.doi.org/10.1039/c2cp42766d.

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29

Wen, T. Q., Y. Zhang, C. Z. Wang, N. Wang, K. M. Ho, and M. J. Kramer. "Local structure orders and glass forming ability of Ni-Nb liquids." Intermetallics 98 (July 2018): 131–38. http://dx.doi.org/10.1016/j.intermet.2018.04.021.

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30

Coslovich, Daniele, Robert L. Jack, and Joris Paret. "Dimensionality reduction of local structure in glassy binary mixtures." Journal of Chemical Physics 157, no. 20 (November 28, 2022): 204503. http://dx.doi.org/10.1063/5.0128265.

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We consider unsupervised learning methods for characterizing the disordered microscopic structure of supercooled liquids and glasses. Specifically, we perform dimensionality reduction of smooth structural descriptors that describe radial and bond-orientational correlations and assess the ability of the method to grasp the essential structural features of glassy binary mixtures. In several cases, a few collective variables account for the bulk of the structural fluctuations within the first coordination shell and also display a clear connection with the fluctuations of particle mobility. Fine-grained descriptors that characterize the radial dependence of bond-orientational order better capture the structural fluctuations relevant for particle mobility but are also more difficult to parameterize and to interpret. We also find that principal component analysis of bond-orientational order parameters provides identical results to neural network autoencoders while having the advantage of being easily interpretable. Overall, our results indicate that glassy binary mixtures have a broad spectrum of structural features. In the temperature range we investigate, some mixtures display well-defined locally favored structures, which are reflected in bimodal distributions of the structural variables identified by dimensionality reduction.

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31

Yang, M. H., Y. Li, J. H. Li, and B. X. Liu. "Retracted Article: Atomic-scale simulation to study the dynamical properties and local structure of Cu–Zr and Ni–Zr metallic glass-forming alloys." Physical Chemistry Chemical Physics 18, no. 10 (2016): 7169–83. http://dx.doi.org/10.1039/c5cp07676e.

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Molecular dynamics simulation with well-developed EAM potentials was carried out to investigate the transport properties and local atomic structure of Cu–Zr and Ni–Zr metallic glasses and supercooled liquids.

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32

Martin, Patricia Y., and Charles Glisson. "Perceived Structure: Welfare Organizations in Three Societal Cultures." Organization Studies 10, no. 3 (July 1989): 353–80. http://dx.doi.org/10.1177/017084068901000304.

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This paper replicates Glisson and Martin's (1980) study of social welfare organizations (SWOs) in St. Louis, Missouri (U.S.A.), with data from two samples of Pacific Island cultures, Guam and Oahu, Hawaii. We test the culture-free vs. culture-specific arguments about the effects of societal culture on internal structure. Our structural dimensions are formalization and centralization. They are measured as perceptions (regime) of social service workers rather than form that is officially prescribed. As expected, Guam and Oahu SWOs are smaller and younger than those in St. Louis. Guam SWOs are the most formalized and centralized; Oahu SWOs do not differ structurally from those in St. Louis. Multivariate regression results show that culture/locale significantly predicts formalization (Guam SWOs are the most formal ized) and both culture/locale and size predict centralization. Significant interaction effects were discovered, prompting rejection of the culture-free argument: larger size leads to more formalization in Oahu and St. Louis but to less in Guam; higher average worker tenure leads to more centralization in St. Louis but to less in Oahu. Alternative interpretations and implications of the results are considered.

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33

Shi, Rui, and Hajime Tanaka. "Distinct signature of local tetrahedral ordering in the scattering function of covalent liquids and glasses." Science Advances 5, no. 3 (March 2019): eaav3194. http://dx.doi.org/10.1126/sciadv.aav3194.

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Tetrahedral amorphous materials such as SiO2, GeO2, Si, Ge, C, and chalcogenides are extremely important in nature and technology. It is known that covalent bonding favors local tetrahedral order in these materials. However, how to extract information on this structural order from the scattering function has remained elusive. By analyzing the structure of simulated SiO2 and experimental data of various tetrahedral materials, we show that the lowest wave number peak, known as the first sharp diffraction peak (FSDP), and a few higher wave number ones in the scattering functions come from the characteristic density waves of a single tetrahedral unit. FSDP is thus a direct measure of the tetrahedrality. This finding opens the door for long-awaited experimental access to the characterization of disordered amorphous structures.

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34

Chang, Yen-Hsu, Hai-Chou Chang, and Yen-Pei Fu. "Utilizing Infrared Spectroscopy to Analyze the Interfacial Structures of Ionic Liquids/Al2O3 and Ionic Liquids/Mica Mixtures under High Pressures." Nanomaterials 9, no. 3 (March 5, 2019): 373. http://dx.doi.org/10.3390/nano9030373.

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The interfacial interactions between ionic liquids (1,3-dimethylimidazolium methyl sulfate and 1-ethyl-3-methylimidazolium trifluoromethanesulfonate) and solid surfaces (mesoporous aluminum oxide and mica) have been studied by infrared spectroscopy at high pressures (up to 2.5 GPa). Under ambient pressure, the spectroscopic features of pure ionic liquids and mixtures of ionic liquids/solid particles (Al2O3 and mica) are similar. As the pressure is increased, the cooperative effect in the local structure of pure 1,3-dimethylimidazolium methyl sulfate becomes significantly enhanced as the imidazolium C–H absorptions of the ionic liquid are red-shifted. However, this pressure-enhanced effect is reduced by adding the solid particles (Al2O3 and mica) to 1,3-dimethylimidazolium methyl sulfate. Although high-pressure IR can detect the interactions between 1,3-dimethylimidazolium methyl sulfate and particle surfaces, the difference in the interfacial interactions in the mixtures of Al2O3 and mica is not clear. By changing the type of ionic liquid to 1-ethyl-3-methylimidazolium trifluoromethanesulfonate, the interfacial interactions become more sensitive to the type of solid surfaces. The mica particles in the mixture perturb the local structure of 1-ethyl-3-methylimidazolium trifluoromethanesulfonate under high pressures, forcing 1-ethyl-3-methylimidazolium trifluoromethanesulfonate to form into an isolated structure. For Al2O3, 1-ethyl-3-methylimidazolium trifluoromethanesulfonate tends to form an associated structure under high pressures.

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35

Neuville, D. R., P. Florian, C. Le Losq, and D. Massiot. "Structure et propriété des verres et des liquides : le rôle de l’aluminium." Matériaux & Techniques 98, no. 6-7 (2010): 395–402. http://dx.doi.org/10.1051/mattech/2011014.

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36

Monette, Michel. "Groupes dominants et structure locale de pouvoir à Deschambault et Saint-Casimir, Comté de Portneuf (1829-1870)." Cahiers de géographie du Québec 28, no. 73-74 (April 12, 2005): 73–88. http://dx.doi.org/10.7202/021649ar.

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À compter de 1829 débute une réorganisation de la structure locale de pouvoir en milieu rural québécois. Cette réorganisation s'effectue dans le cadre d'une remise en question du pouvoir des élites traditionnelles, seigneurs et clergé. Au-delà de la lutte entre ces élites et la petite bourgeoisie locale montante, l'analyse de la composition sociale du pouvoir à Deschambault et Saint-Casimir suggère une rivalité entre le village et la campagne. La notabilité des commissionnés montre que ceux-ci se recrutent majoritairement parmi les élites villageoises. Pour sa part, l'élite agricole domine lors du choix des élus locaux. L'économie des deux paroisses trace cependant les limites du pouvoir paysan. Le groupe des marchands contrôle la mairie de Saint-Casimir, reflétant ainsi la dépendance de la communauté rurale de cette paroisse à leur égard.

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37

Sha, Maolin, Yusheng Liu, Huaze Dong, Fabao Luo, Fangling Jiang, Zhongfeng Tang, Guanglai Zhu, and Guozhong Wu. "Origin of heterogeneous dynamics in local molecular structures of ionic liquids." Soft Matter 12, no. 43 (2016): 8942–49. http://dx.doi.org/10.1039/c6sm01797e.

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38

Wang, Teng-Hui, Wei-Xiang Wang, and Hai-Chou Chang. "Pressure-Dependent Clustering in Ionic-Liquid-Poly (Vinylidene Fluoride) Mixtures: An Infrared Spectroscopic Study." Nanomaterials 11, no. 8 (August 18, 2021): 2099. http://dx.doi.org/10.3390/nano11082099.

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The nanostructures of ionic liquids (ILs) have been the focus of considerable research attention in recent years. Nevertheless, the nanoscale structures of ILs in the presence of polymers have not been described in detail at present. In this study, nanostructures of ILs disturbed by poly(vinylidene fluoride) (PVdF) were investigated via high-pressure infrared spectra. For 1-(2-hydroxyethyl)-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([HEMIm][TFSI])-PVdF mixtures, non-monotonic frequency shifts of the C4,5-H vibrations upon dilution were observed under ambient pressure. The experimental results suggest the presence of microheterogeneity in the [HEMIm][TFSI] systems. Upon compression, PVdF further influenced the local structure of C4,5–H via pressure-enhanced IL–PVdF interactions; however, the local structures of C2–H and hydrogen-bonded O–H were not affected by PVdF under high pressures. For choline [TFSI]–PVdF mixtures, PVdF may disturb the local structures of hydrogen-bonded O–H. In the absence of the C4,5–H⋯anion and C2–H⋯anion in choline [TFSI]–PVdF mixtures, the O–H group becomes a favorable moiety for pressure-enhanced IL–PVdF interactions. Our results indicate the potential of high-pressure application for designing pressure-dependent electronic switches based on the possible changes in the microheterogeneity and electrical conductivity in IL-PVdF systems under various pressures.

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39

Marcoff, Julie. "Les contours de la dépense locale d’investissement. Notion, structure et évolution." Gestion & Finances Publiques, no. 5 (September 2017): 26–30. http://dx.doi.org/10.3166/gfp.2017.00091.

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40

Cadel, E., D. Lemarchand, S. Chambreland, and D. Blavette. "Structure et chimie locale des joints de grains dans les superalliages." Le Journal de Physique IV 09, PR4 (April 1999): Pr4–147—Pr4–152. http://dx.doi.org/10.1051/jp4:1999419.

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41

YAMAMOTO, RYOICHI, and AKIRA ONUKI. "LARGE SCALE LONG-LIVED HETEROGENEITY IN THE DYNAMICS OF SUPERCOOLED LIQUIDS." International Journal of Modern Physics C 10, no. 08 (December 1999): 1553–62. http://dx.doi.org/10.1142/s0129183199001339.

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The local mobility of particles in highly supercooled liquids is demonstrated to be spatially heterogeneous on time scales comparable to the structural relaxation time τα. The particle motions in the active regions dominantly contribute to the mean square displacement, giving rise to a diffusion constant systematically larger than the Stokes–Einstein value. The diffusion process eventually becomes homogeneous on time scales longer than the life time of the heterogeneity structure (~ 3τα). The heterogeneity structure in the local mobility is very analogous to the critical fluctuation in Ising spin systems with their structure factor being excellently fitted to the Ornstein–Zernike form.

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42

Tolias, Panagiotis, Federico Lucco Castello, and Tobias Dornheim. "Quantum version of the integral equation theory-based dielectric scheme for strongly coupled electron liquids." Journal of Chemical Physics 158, no. 14 (April 14, 2023): 141102. http://dx.doi.org/10.1063/5.0145687.

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A novel dielectric scheme is proposed for strongly coupled electron liquids, which handles quantum mechanical effects beyond the random phase approximation level and treats electronic correlations within the integral equation theory of classical liquids. The self-consistent scheme features a complicated dynamic local field correction functional and its formulation is guided by ab initio path integral Monte Carlo simulations. Remarkably, our scheme is capable of providing unprecedently accurate results for the static structure factor with the exception of the Wigner crystallization vicinity, despite the absence of adjustable or empirical parameters.

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43

Bonanno, Anthony S., and Peter R. Griffiths. "Short-Wave near Infrared Spectra of Organic Liquids." Journal of Near Infrared Spectroscopy 1, no. 1 (January 1993): 13–23. http://dx.doi.org/10.1255/jnirs.2.

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Multi-quanta vibrational transitions are discussed in terms of the local mode model in order to develop a better understanding of the features observed in the short-wave near infrared (700–1100 nm) spectra of organic liquids. It is demonstrated that the spectra of simple alkanes and alcohols exhibit local mode features, and that these features are characteristic of molecular structure and will, therefore, be useful for quantitative and qualitative analysis.

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44

Ebrahimi, Soraya, and Mohammad H. Kowsari. "Fine probing the effect of replacing [PF6]− with [PF3(C2F5)3]− on the local structure and nanoscale organization of [bmim]+-based ionic liquids using MD simulation." Physical Chemistry Chemical Physics 21, no. 6 (2019): 3195–210. http://dx.doi.org/10.1039/c8cp07829g.

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Probing the effect of replacing [PF₆]⁻ with [PF₃(C₂F₅)₃]⁻, anion flexibility, and charge scaling on the local structure, nanoscale organization, and interionic interactions of [bmim]⁺-based ionic liquids.

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45

Bowron, Daniel T. "Experimentally consistent atomistic modeling of bulk and local structure in liquids and disordered materials by empirical potential structure refinement." Pure and Applied Chemistry 80, no. 6 (January 1, 2008): 1211–27. http://dx.doi.org/10.1351/pac200880061211.

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This article presents an overview of the use of the empirical potential structure refinement (EPSR) technique for generating three-dimensional atomistic models of liquids and structurally disordered solids that are consistent with experimental neutron and X-ray scattering data. The extension of this technique through the calculation of extended X-ray absorption fine structure (EXAFS) spectra is outlined, and the benefits of this are demonstrated for a range of systems and in particular for our ability to address structural questions of importance in solution chemistry. The model systems chosen as examples for structural analysis are (i) liquid gallium, (ii) silica glass, and (iii) a 1 m aqueous solution of YCl3. The advantages of this analytical approach for addressing chemically specific structural questions in disordered systems are discussed within the context of the experimental alternatives based on the techniques of neutron scattering with isotopic substitution and anomalous X-ray scattering.

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46

Shigeto, Shinsuke, and Hiro-o. Hamaguchi. "A new nonlinear Raman probe for local structures in liquids and solutions." Chemical Physics Letters 417, no. 1-3 (January 2006): 149–53. http://dx.doi.org/10.1016/j.cplett.2005.10.019.

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Castiglione, Franca, Roberto Simonutti, Michele Mauri, and Andrea Mele. "Cage-Like Local Structure of Ionic Liquids Revealed by a 129Xe Chemical Shift." Journal of Physical Chemistry Letters 4, no. 10 (April 26, 2013): 1608–12. http://dx.doi.org/10.1021/jz400617v.

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Bernini, S., F. Puosi, and D. Leporini. "Weak links between fast mobility and local structure in molecular and atomic liquids." Journal of Chemical Physics 142, no. 12 (March 28, 2015): 124504. http://dx.doi.org/10.1063/1.4916047.

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Ferrante, A., Wang Li, and M. P. Tosi. "Interatomic force modelling of local coordination and extended structure in ionic-covalent liquids." Philosophical Magazine A 58, no. 1 (July 1988): 13–25. http://dx.doi.org/10.1080/01418618808205171.

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Yoshimura, Yukihiro, Takahiro Mori, Kazuyoshi Kaneko, Koji Nogami, Takahiro Takekiyo, Yuichi Masuda, and Akio Shimizu. "Confirmation of local water structure confined in ionic liquids using H/D exchange." Journal of Molecular Liquids 286 (July 2019): 110874. http://dx.doi.org/10.1016/j.molliq.2019.04.151.

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