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Journal articles on the topic 'Crystallisation;Hard Sphere Systems'

Author: Grafiati

Published: 4 June 2021

Last updated: 20 February 2023

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1

Shakirov, Timur. "Crystallisation in Melts of Short, Semi-Flexible Hard-Sphere Polymer Chains: The Role of the Non-Bonded Interaction Range." Entropy 21, no. 9 (September 1, 2019): 856. http://dx.doi.org/10.3390/e21090856.

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A melt of short semi-flexible polymers with hard-sphere-type non-bonded interaction undergoes a first-order crystallisation transition at lower density than a melt of hard-sphere monomers or a flexible hard-sphere chain. In contrast to the flexible hard-sphere chains, the semi-flexible ones have an intrinsic stiffness energy scale, which determines the natural temperature scale of the system. In this paper, we investigate the effect of weak additional non-bonded interaction on the phase transition temperature. We study the system using the stochastic approximation Monte Carlo (SAMC) method to estimate the micro-canonical entropy of the system. Since the density of states in the purely hard-sphere non-bonded interaction case already covers 5600 orders of magnitude, we consider the effect of weak interactions as a perturbation. In this case, the system undergoes the same ordering transition with a temperature shift non-uniformly depending on the additional interaction. Short-range attractions impede ordering of the melt of semi-flexible polymers and decrease the transition temperature, whereas relatively long-range attractions assist ordering and shift the transition temperature to higher values, whereas weak repulsive interactions demonstrate an opposite effect on the transition temperature.

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2

Stoyan, Dietrich. "SURFACES OF HARD-SPHERE SYSTEMS." Image Analysis & Stereology 33, no. 3 (July 25, 2014): 225. http://dx.doi.org/10.5566/ias.1134.

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In various situations surfaces appear that are formed by systems of hard spheres. Examples are porous layers as surfaces of sand heaps and biofilms or fracture surfaces of concrete. The present paper considers models where a statistically homogeneous system of hard spheres with random radii is intersected by a plane and the surface is formed by the spheres with centers close to this plane. Formulae are derived for various characteristics of such surfaces: for the porosity profile, i.e. the local porosity in dependence on the distance from the section plane and for the geometry of the sphere caps that look above the section plane.It turns out that these characteristics only depend on the first-order characteristics of the sphere system, its sphere density and the sphere radius distribution.Comparison with empirically studied biofilms shows that the model is realistic.

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3

Speedy, Robin J. "Pressure of hard-sphere systems." Journal of Physical Chemistry 92, no. 7 (April 1988): 2016–18. http://dx.doi.org/10.1021/j100318a061.

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4

Fishman, R. S., E. F. Hill, T. K. Storsved, and G. P. Bierwagen. "Density fluctuations in hard-sphere systems." Journal of Applied Physics 79, no. 2 (1996): 729. http://dx.doi.org/10.1063/1.360818.

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5

Richard, Patrick, Luc Oger, Jean-Paul Troadec, and Annie Gervois. "Geometrical characterization of hard-sphere systems." Physical Review E 60, no. 4 (October 1, 1999): 4551–58. http://dx.doi.org/10.1103/physreve.60.4551.

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6

Singh, P., and C. Huang. "Particle dynamics in hard-sphere systems." Mechanics Research Communications 27, no. 5 (September 2000): 519–27. http://dx.doi.org/10.1016/s0093-6413(00)00125-7.

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7

Singh, P., and C. Huang. "Particle dynamics in hard-sphere systems." Mechanics Research Communications 28, no. 2 (March 2001): 231–32. http://dx.doi.org/10.1016/s0093-6413(01)00167-7.

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8

KIM, SOON-CHUL. "SEGREGATION OF FLUIDIZED BINARY HARD-SPHERE SYSTEMS UNDER GRAVITY." International Journal of Modern Physics B 19, no. 04 (February 10, 2005): 763–74. http://dx.doi.org/10.1142/s0217979205027809.

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We have derived an analytic expression for the contact value of the local density of binary hard-sphere systems under gravity. We have obtained the crossover conditions for the Brazil-nut type segregation of binary hard-sphere mixtures and binary hard-sphere chain mixtures from the segregation criterion, where the segregation occurs when the density (or the pressure) of the small spheres at the bottom is higher than that of the large spheres, or vice versa. For the binary hard-sphere chain mixtures, the crossover condition for the segregation depends on the number of monomers composed of hard-sphere chains as well as the mass and the diameter of each species. The fundamental-measure theories (FMTs) and local density approximation (LDA) are employed to examine the crossover condition for the segregation of the gravity-induced hard-sphere mixtures. The calculated results show that the LDA does not explain the density oscillation near the bottom, whereas the modified fundamental-measure theory (MFMT) compares with molecular dynamics simulations.

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9

Müller, Erich A., and Keith E. Gubbins. "Triplet correlation function for hard sphere systems." Molecular Physics 80, no. 1 (September 1993): 91–101. http://dx.doi.org/10.1080/00268979300102081.

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10

Rintoul, M. D., and S. Torquato. "Metastability and Crystallization in Hard-Sphere Systems." Physical Review Letters 77, no. 20 (November 11, 1996): 4198–201. http://dx.doi.org/10.1103/physrevlett.77.4198.

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11

Rintoul, M. D., and S. Torquato. "Computer simulations of dense hard‐sphere systems." Journal of Chemical Physics 105, no. 20 (November 22, 1996): 9258–65. http://dx.doi.org/10.1063/1.473004.

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12

Henderson, S. I., T. C. Mortensen, S. M. Underwood, and W. van Megen. "Effect of particle size distribution on crystallisation and the glass transition of hard sphere colloids." Physica A: Statistical Mechanics and its Applications 233, no. 1-2 (November 1996): 102–16. http://dx.doi.org/10.1016/s0378-4371(96)00153-7.

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13

RINO, JOSÉ-PEDRO, and NELSON STUDART. "STATIC STRUCTURE FACTOR OF HARD-SPHERE YUKAWA SYSTEMS." Modern Physics Letters B 10, no. 30 (December 30, 1996): 1507–15. http://dx.doi.org/10.1142/s0217984996001711.

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We have applied the Singwi, Tosi, Land and Sjölander approximation for the two-particle distribution function in the BBGKY hierarchy equations to investigate the properties of the hard-sphere Yukawa systems. The static structure factor and the radial distribution function are evaluated and compared with other approximations of the theory of liquids and computer simulations.

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14

Morley, David Ormrod, and Mark Wilson. "Voronoi diagrams in quasi-2D hard sphere systems." Journal of Statistical Mechanics: Theory and Experiment 2020, no. 9 (September 3, 2020): 093201. http://dx.doi.org/10.1088/1742-5468/aba7af.

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15

Ciccariello, S., and D. Gazzillo. "On the mechanical instability of hard-sphere systems." Molecular Physics 54, no. 4 (March 1985): 863–72. http://dx.doi.org/10.1080/00268978500103221.

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16

Boublík, Tomáˇs. "Background correlation functions in the hard sphere systems." Molecular Physics 59, no. 4 (November 1986): 775–93. http://dx.doi.org/10.1080/00268978600102391.

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17

Clarke, S. M., J. Melrose, A. R. Rennie, R. H. Ottewill, D. Heyes, P. J. Mitchell, H. J. M. Hanley, and G. C. Straty. "The structure and rheology of hard-sphere systems." Journal of Physics: Condensed Matter 6, no. 23A (June 6, 1994): A333—A337. http://dx.doi.org/10.1088/0953-8984/6/23a/055.

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18

Ruppersbergfb, H. "Partial Coordination Numbers and Flory-Huggins Equation of Binary Hard Sphere Systems with Unequal Hard Sphere Diameters." Physics and Chemistry of Liquids 18, no. 1 (February 1988): 1–9. http://dx.doi.org/10.1080/00319108808078572.

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19

Truskett, Thomas M., Salvatore Torquato, Srikanth Sastry, Pablo G. Debenedetti, and Frank H. Stillinger. "Structural precursor to freezing in the hard-disk and hard-sphere systems." Physical Review E 58, no. 3 (September 1, 1998): 3083–88. http://dx.doi.org/10.1103/physreve.58.3083.

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20

Ruppersberg, H. "Chemical short-range order parameter and ordering enthalpy in binary hard-sphere systems with unequal hard-sphere diameters." Journal of Non-Crystalline Solids 106, no. 1-3 (December 1988): 89–91. http://dx.doi.org/10.1016/0022-3093(88)90235-9.

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21

BENGTZELIUS, U., and A. SJöLANDER. "Glass Transitions in Hard-sphere and Lennard-Jones Systems." Annals of the New York Academy of Sciences 484, no. 1 (December 1986): 229–40. http://dx.doi.org/10.1111/j.1749-6632.1986.tb49573.x.

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22

Zargar, R., J. Russo, P. Schall, H. Tanaka, and D. Bonn. "Disorder and excess modes in hard-sphere colloidal systems." EPL (Europhysics Letters) 108, no. 3 (October 24, 2014): 38002. http://dx.doi.org/10.1209/0295-5075/108/38002.

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23

McLAUGHLIN, I. L. "The mean density approximation for hard sphere Yukawa systems." Molecular Physics 91, no. 2 (June 10, 1997): 377–79. http://dx.doi.org/10.1080/00268979709482726.

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24

Zhao, Nanrong, Masaru Sugiyama, and Tommaso Ruggeri. "Phase transition induced by a shock wave in hard-sphere and hard-disk systems." Journal of Chemical Physics 129, no. 5 (August 7, 2008): 054506. http://dx.doi.org/10.1063/1.2936990.

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25

Robles, M., M. López de Haro, A. Santos, and S. Bravo Yuste. "Is there a glass transition for dense hard-sphere systems?" Journal of Chemical Physics 108, no. 3 (January 15, 1998): 1290–91. http://dx.doi.org/10.1063/1.475499.

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26

Ogarko, Vitaliy, and Stefan Luding. "Prediction of polydisperse hard-sphere mixture behavior using tridisperse systems." Soft Matter 9, no. 40 (2013): 9530. http://dx.doi.org/10.1039/c3sm50964h.

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27

Williamson, Dave C., and George Jackson. "Liquid crystalline phase behavior in systems of hard-sphere chains." Journal of Chemical Physics 108, no. 24 (June 22, 1998): 10294–302. http://dx.doi.org/10.1063/1.476490.

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28

Labík, S., and William R. Smith. "Cavity distribution functions of pure and mixed hard‐sphere systems." Journal of Chemical Physics 88, no. 2 (January 15, 1988): 1223–27. http://dx.doi.org/10.1063/1.454242.

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29

Nogawa, T., H. Watanabe, and N. Ito. "Polydispersity effect on solid-fluid transition in hard sphere systems." Physics Procedia 3, no. 3 (February 2010): 1475–79. http://dx.doi.org/10.1016/j.phpro.2010.01.208.

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30

Hermann, Helmut, Antje Elsner, and Dietrich Stoyan. "Behavior of icosahedral clusters in computer simulated hard sphere systems." Journal of Non-Crystalline Solids 353, no. 32-40 (October 2007): 3693–97. http://dx.doi.org/10.1016/j.jnoncrysol.2007.05.133.

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31

Cao, J., and B. J. Berne. "A new quantum propagator for hard sphere and cavity systems." Journal of Chemical Physics 97, no. 4 (August 15, 1992): 2382–85. http://dx.doi.org/10.1063/1.463076.

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32

Bond, Stephen D., and Benedict J. Leimkuhler. "Stabilized Integration of Hamiltonian Systems with Hard-Sphere Inequality Constraints." SIAM Journal on Scientific Computing 30, no. 1 (January 2008): 134–47. http://dx.doi.org/10.1137/06066552x.

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33

Tessarotto, Massimo, Claudio Cremaschini, Michael Mond, Claudio Asci, Alessandro Soranzo, and Gino Tironi. "On the Boltzmann–Grad Limit for Smooth Hard-Sphere Systems." Foundations of Physics 48, no. 3 (February 20, 2018): 271–94. http://dx.doi.org/10.1007/s10701-018-0144-5.

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34

Bonneville, Richard. "Asymptotic expression of the virial coefficients for hard sphere systems." Fluid Phase Equilibria 397 (July 2015): 111–16. http://dx.doi.org/10.1016/j.fluid.2015.04.002.

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35

Stoessel, James P. "Toward a simple density functional theory of nonuniform solids." Journal of Materials Research 3, no. 2 (April 1988): 274–79. http://dx.doi.org/10.1557/jmr.1988.0274.

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With analogy to the “highly accurate” summation of cluster diagrams for hard sphere fluids à la Carnahan-Starling, a simple real space free-energy density functional for arbitrary potential systems is proposed, based on a generalization of the second virial coefficient to inhomogeneous systems, which when applied to ordered and amorphous solid hard-sphere systems yields pressures in remarkable agreement with experiment. Possibilities for corrections and extensions toward a simple density functional theory of nonuniform solids are noted.

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36

Hu, Jiawen, and Yang-Xin Yu. "High-order virial coefficients and equation of state for hard sphere and hard disk systems." Physical Chemistry Chemical Physics 11, no. 41 (2009): 9382. http://dx.doi.org/10.1039/b911901a.

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37

Labík, S., A. Malijevský, and W. R. Smith. "A new geometrically based integral equation hierarchy for hard-sphere systems." Molecular Physics 83, no. 5 (December 10, 1994): 983–96. http://dx.doi.org/10.1080/00268979400101711.

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38

Smith, W. R., S. Labík, A. Malijevský, and J. Šedlbauer. "A new geometrically based integral equation hierarchy for hard-sphere systems." Molecular Physics 83, no. 6 (December 20, 1994): 1223–31. http://dx.doi.org/10.1080/00268979400101891.

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39

McLAUGHLIN, By I. L. "RESEARCH NOTE The mean density approximation for hard sphere Yukawa systems." Molecular Physics 91, no. 2 (June 1997): 377–80. http://dx.doi.org/10.1080/002689797171661.

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40

Veselov, V. V., and B. G. Abrosimov. "Virial coefficients of the binary distribution function for hard sphere systems." Journal of Structural Chemistry 47, S1 (September 2006): S191—S194. http://dx.doi.org/10.1007/s10947-006-0393-6.

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41

Kampmann, Tobias A., Horst-Holger Boltz, and Jan Kierfeld. "Parallelized event chain algorithm for dense hard sphere and polymer systems." Journal of Computational Physics 281 (January 2015): 864–75. http://dx.doi.org/10.1016/j.jcp.2014.10.059.

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42

Illner, Reinhard, and Mario Pulvirenti. "A derivation of the BBGKY-hierarchy for hard sphere particle systems." Transport Theory and Statistical Physics 16, no. 7 (November 1987): 997–1012. http://dx.doi.org/10.1080/00411458708204603.

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43

Dullens *, Roel P. A., Dirk G. A. L. Aarts, Willem K. Kegel, and Henk N. W. Lekkerkerker. "The Widom insertion method and ordering in small hard-sphere systems." Molecular Physics 103, no. 21-23 (November 10, 2005): 3195–200. http://dx.doi.org/10.1080/00268970500221925.

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44

Kruglov, Timofey. "Spin-echo small-angle neutron scattering for dense systems of spheres." Journal of Applied Crystallography 38, no. 5 (September 15, 2005): 721–26. http://dx.doi.org/10.1107/s0021889805017012.

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This paper presents (spin-echo) SANS correlation functions describing small-angle scattering on dense systems of spherical particles. (Spin-echo) small-angle correlation functions and associated correlation lengths for a single sphere, a dumbbell, excluded volume and structure are introduced. It is shown that the correlation length is proportional to the cumulative scattering probability. This approach is applied to a hard-sphere liquid.

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45

Boublík, Tomáš. "Radial Distribution Function in the Hard Sphere Mixtures." Collection of Czechoslovak Chemical Communications 73, no. 3 (2008): 388–400. http://dx.doi.org/10.1135/cccc20080388.

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Equilibrium structures of both homogeneous and heterogeneous systems are, within statistical thermodynamics, characterized by distribution functions. Using the approach proposed recently - based on the determination of the cavity functions for the pair of hard spheres (HS) and the combined body - we studied the effect of different choices of the probe HS (which determines the shape of the combined hard body - enlarged dumbbell) on the prediction of the distribution functions in binary mixtures of HS with the aspect ratio 0.9, ternary mixtures with diameter ratios 1, 0.6 and 0.3, and density profiles of HS mixture with the aspect ratio 2 near a hard wall. It was found that the method, that uses the average geometric functionals determined for the probe HS with individual diameters multiplied by the respective mole fractions yields better results than the approaches based on average probe diameters.

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46

KAMALVAND, MOHAMMAD, TAHMINEH (EZZAT) KESHAVARZI, and G. ALI MANSOORI. "BEHAVIOR OF THE CONFINED HARD-SPHERE FLUID WITHIN NANOSLITS: A FUNDAMENTAL-MEASURE DENSITY-FUNCTIONAL THEORY STUDY." International Journal of Nanoscience 07, no. 04n05 (August 2008): 245–53. http://dx.doi.org/10.1142/s0219581x08005365.

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A property of central interest for theoretical study of nanoconfined fluids is the density distribution of molecules. The density profile of the hard-sphere fluids confined within nanoslit pores is a key quantity for understanding the configurational behavior of confined real molecules. In this report, we produce the density profile of the hard-sphere fluid confined within nanoslit pores using the fundamental-measure density-functional theory (FM-DFT). FM-DFT is a powerful approach to studying the structure and the phase behavior of nanoconfined fluids. We report the computational procedure and the calculated data for nanoslits with different widths and for a wide range of hard-sphere fluid densities. The high accuracy of the resulting density profiles and optimum grid-size values in numerical integration are verified. The data reveal a number of interesting features of hard spheres in nanoslits, which are different from the bulk hard-sphere systems. These data are also useful for a variety of purposes, including obtaining the shear stress, thermal conductivity, adsorption, solvation forces, free volume and prediction of phase transitions.

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47

Lamperski, Stanisław, Marcin Waśko, and Douglas Henderson. "Solidification of the charged hard-sphere fluid." Molecular Simulation 39, no. 10 (September 2013): 837–41. http://dx.doi.org/10.1080/08927022.2013.773432.

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48

Ma, Hongru. "Theory and calculation of colloidal depletion interaction." International Journal of Modern Physics B 32, no. 18 (July 15, 2018): 1840005. http://dx.doi.org/10.1142/s0217979218400052.

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Colloidal dispersion is composed of particles with size ranging from 1 nm to [Formula: see text]m dispersed in solvents. There are the volume exclusion interaction and other interactions between colloidal particles, of which the former interaction causes the depletion effect. When a big sphere is immersed in the colloidal system of small spheres, there is a depletion layer around the big sphere where the center of small sphere cannot enter. The depletion layers of two big spheres overlap if they are close to each other, increasing the free volume accessed by small spheres and thereby enlarging the entropy of the system. As a result, an effective interaction between the two big spheres is resulted from the change of entropy as a function of their distance, which is referred to as the depletion interaction. This paper first introduces the concept and scenario of the depletion interaction in colloidal systems. Then we briefly introduce various numerical or simulations methods of the depletion interaction of hard sphere systems, such as the acceptance ratio method, Wang–Landau method, and the density functional theory method. Taking the Asakura–Oosawa model as an example, we introduce a useful approximation method, Derjaguin approximation as well as the derivation of some approximate formula for the depletion interaction of different hardcore colloidal systems, such as between a pair of spheres in mono-disperse small spheres, between a hard sphere and a hard wall in a liquid of small spheres, and between a pair of hard spheres in a liquid of thin rods and thin disks.

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49

Thakor, Pankajsinh B., Yogeshkumar A. Sonvane, and Ashvin R. Jani. "Atomic Transport Properties of 3D Liquid Transition Metals Using Different Reference Systems." Solid State Phenomena 209 (November 2013): 147–50. http://dx.doi.org/10.4028/www.scientific.net/ssp.209.147.

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Atomic transport properties like self diffusion coefficient (D), viscosity coefficient (η) of 3d liquid transition metals are studied. Here we have applied our own model potential to describe electron ion interaction with different reference system like Percus - Yevick Hard Sphere (PYHS), One Component Plasma (OCP) and Charge Hard Sphere (CHS) systems. We have investigated the effect of different correction function like Hartree (H), Vashishta-Singwi (VS), Hubbard-Sham (HS), Sarkar et al (S), Ichimaru-Utsumi(IU), Taylor (T) and Farid et al (F) on atomic transport properties. The proper choice of the model potential alongwith the local field correction function and reference system plays a vital role in the study of the atomic transport properties of 3d liquid transition metals.

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50

van Swol, Frank, and Dimiter N. Petsev. "Molecular dynamics simulation of binary hard sphere colloids near the glass transition." RSC Adv. 4, no. 41 (2014): 21631–37. http://dx.doi.org/10.1039/c4ra02391a.

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