Soft matter with soft particles

Likos, Christos N.

doi:10.1039/b601916c

Cited by 306 publications

(300 citation statements)

References 170 publications

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“…These studies unveiled the existance of an unprecedented richness in phenomenological behavior including the possibility for some classes of interactions to form polymorphic cluster phases [23] or reentrant melting transitions followed by multiple transitions between ordered crystalline phases [24][25][26], and set the stage for the work presented in this paper. For a recent review on the subject we refer the reader to reference [27].…”

Section: Introductionmentioning

confidence: 99%

Packing of Soft Asymmetric Dumbbells

2010

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We use numerical simulations to study the phase behavior of a system of purely repulsive soft dumbbells as a function of size ratio of the two components and their relative degree of deformability. We find a plethora of different phases which includes most of the mesophases observed in self-assembly of block copolymers, but also crystalline structures formed by asymmetric, hard binary mixtures. Our results detail the phenomenological behavior of these systems when softness is introduced in terms of two different classes of inter-particle interactions: (a) the elastic Hertz potential, that has a finite energy cost for complete overlap of any two components, and (b) a generic power-law repulsion with tunable exponent. We discuss how simple geometric arguments can be used to account for the large structural variety observed in these systems, and detail the similarities and differences in the phase behavior for the two classes of potentials under consideration.

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Section: Introductionmentioning

confidence: 99%

Packing of Soft Asymmetric Dumbbells

2010

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“…Such soft potentials arise as the effective interaction potential between polymers or soft macromolecules in solution [25][26][27][28][29][30][31][32][33][34][35][36][37]. Our main reason for considering this model centres on the fact that the structure and phase behaviour (i.e.…”

Section: Model Fluidmentioning

confidence: 99%

Generation of Defects and Disorder from Deeply Quenching a Liquid to Form a Solid

Archer

Walters

Thiele

et al. 2016

Springer Proceedings in Mathematics &Amp; Statistics

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We show how deeply quenching a liquid to temperatures where it is linearly unstable and the crystal is the equilibrium phase often produces crystalline structures with defects and disorder. As the solid phase advances into the liquid phase, the modulations in the density distribution created behind the advancing solidification front do not necessarily have a wavelength that is the same as the equilibrium crystal lattice spacing. This is because in a deep enough quench the front propagation is governed by linear processes, but the crystal lattice spacing is determined by nonlinear terms. The wavelength mismatch can result in significant disorder behind the front that may or may not persist in the latter stage dynamics. We support these observations by presenting results from dynamical density functional theory calculations for simple one-and two-component two-dimensional systems of soft core particles.

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“…In this work, we focus on the density and temperature range of 0.3 < ρ * < 2.4 and 10 −6 < T * < 1, where ρ * ≡ ρσ 3 and T * ≡ k B T / . In order to analyze thermodynamic properties and determine the solid-fluid phase boundary, molecular dynamics (MD) simulations with Nosé thermostat are carried out under the periodic boundary conditions.…”

Section: A Molecular and Monte Carlo Simulationmentioning

confidence: 99%

“…The ultrasoft potentials are isotropic repulsive potential characterized by weak and bounded repulsion at short distance and the mild repulsive tails whose steepness is much smaller than the typical atomic potential. These potentials are realized in many complex fluids such as star-polymers, [22][23][24][25] dendrimers, 3,29,30 and the polymers in good solvent. 7,[31][32][33][34] Thermodynamic phase diagrams of the ultra-soft particle systems have very distinct and exotic properties such as the re-melting from a) Author to whom correspondence should be addressed.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic and structural properties of the high density Gaussian core model

Ikeda

Miyazaki

2011

The Journal of Chemical Physics

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We numerically study thermodynamic and structural properties of the one-component Gaussian core model at very high densities. The solid-fluid phase boundary is carefully determined. We find that the density dependence of both the freezing and melting temperatures obey the asymptotic relation, log T f , log T m ∝ −ρ 2/3 , where ρ is the number density, which is consistent with Stillinger's conjecture. Thermodynamic quantities such as the energy and pressure and the structural functions such as the static structure factor are also investigated in the fluid phase for a wide range of temperature above the phase boundary. We compare the numerical results with the prediction of the liquid theory with the random phase approximation (RPA). At high temperatures, the results are in almost perfect agreement with RPA for a wide range of density, as it has already been shown in the previous studies. In the low temperature regime close to the phase boundary line, although RPA fails to describe the structure factors and the radial distribution functions at the length scales of the interparticle distance, it successfully predicts their behaviors at longer length scales. RPA also predicts thermodynamic quantities such as the energy, pressure, and the temperature at which the thermal expansion coefficient becomes negative, almost perfectly. Striking ability of RPA to predict thermodynamic quantities even at high densities and low temperatures is understood in terms of the decoupling of the length scales which dictate thermodynamic quantities from the interparticle distance which dominates the peak structures of the static structure factor due to the softness of the Gaussian core potential.

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Soft matter with soft particles

Cited by 306 publications

References 170 publications

Packing of Soft Asymmetric Dumbbells

Packing of Soft Asymmetric Dumbbells

Generation of Defects and Disorder from Deeply Quenching a Liquid to Form a Solid

Thermodynamic and structural properties of the high density Gaussian core model

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