Estimating the density-scaling exponent of a monatomic liquid from its pair potential

Bøhling, Lasse; Bailey, Nicholas P.; Schrøder, Thomas B.; Dyre, Jeppe C.

doi:10.1063/1.4869114

Cited by 40 publications

(62 citation statements)

References 41 publications

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“…(16) in conjunction with an analytical expression for h(ρ). This has been shown to work well for the Lennard-Jones system and two systems with pair potentials that are sums of two, respectively three IPL terms [73]. (κ = 6.93) and T1 = 5.361 × 10 −5 (Γ = 2690).…”

Section: Two Methods For Identifying the Isomorphsmentioning

confidence: 94%

Invariants in the Yukawa system's thermodynamic phase diagram

2015

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This paper shows that several known properties of the Yukawa system can be derived from the isomorph theory, which applies to any system that has strong correlations between its virial and potential-energy equilibrium fluctuations. Such "Roskilde-simple" systems have a simplified thermodynamic phase diagram deriving from the fact that they have curves (isomorphs) along which structure and dynamics in reduced units are invariant to a good approximation. We show that the Yukawa system has strong virial potential-energy correlations and identify its isomorphs by two different methods. One method, the so-called direct isomorph check, identifies isomorphs numerically from jumps of relatively small density changes (here 10%). The second method identifies isomorphs analytically from the pair potential. The curves obtained by the two methods are close to each other; these curves are confirmed to be isomorphs by demonstrating the invariance of the radial distribution function, the static structure factor, the mean-square displacement as a function of time, and the incoherent intermediate scattering function. Since the melting line is predicted to be an isomorph, the theory provides a derivation of a known approximate analytical expression for this line in the temperature-density phase diagram. The paper's results give the first demonstration that the isomorph theory can be applied to systems like dense colloidal suspensions and strongly coupled dusty plasmas.Comment: 12 pages, 12 figure

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Section: Two Methods For Identifying the Isomorphsmentioning

confidence: 94%

Invariants in the Yukawa system's thermodynamic phase diagram

2015

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“…(3) to a wide range of glass-forming liquids and polymers with values of  within the range 0.138.5 by dielectric spectroscopy. There are confirmations from measurements using light scattering, 21 , molecular dynamics simulations [23][24][25][26][27] , static ambient-pressure quantities 28,29 , and viscosity [30][31][32] . In polymers, TV  -scaling was found for both   (T,P) and the relaxation time n(T,P) of the chain normal modes with the same  by simulations 23 and by dielectric relaxation [33][34][35] , i.e.…”

Section: Introductionmentioning

confidence: 85%

Corroborative evidences of TVγ-scaling of the α-relaxation originating from the primitive relaxation/JG β relaxation

Ngai

Paluch

2017

Journal of Non-Crystalline Solids

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Successful thermodynamic scaling of the structural -relaxation time   or transport coefficients of glass-forming liquids determined at various temperatures T and pressures P means the data conform to a single function of the product variable TV  , where V is the specific volume and  is a material specific constant. In the past two decades we have witnessed successful TV  -scaling in many molecular, polymeric, and even metallic glass-formers, and  is related to the slope of the repulsive part of the intermolecular potential. The advances made indicate TV  -scaling is an important aspect of the dynamic and thermodynamic properties of glass-formers. In this paper we show the origin of TV  -scaling is not from the structural -relaxation time   . Instead it comes from its precursor, the Johari-Goldstein -relaxation or the primitive relaxation of the Coupling Model and their relaxation times   or 0 respectively. It is remarkable that all relaxation times,    and 0 are functions of TV  with the same , as well as the fractional exponent K of the 2 Kohlrausch correlation function of the structural -relaxation. We arrive at this conclusion convincingly based on corroborative evidences from a number of experiments and molecular dynamics simulations performed on a wide variety of glass-formers and in conjunction with consistency with the predictions of the Coupling Model.

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“…If the density scaling exponent reflects of the steepness of the intermolecular potential [10,11,12,13,14], different dynamic quantities are expected to be described by the same scaling exponent. Thus, while different experiments, sensitive to different correlation functions, can yield relaxation times, τ, having different magnitudes, the changes in τ due to changes in thermodynamic conditions should not depend on the experimental probe.…”

Section: Introductionmentioning

confidence: 99%

Density scaling and decoupling in o-terphenyl, salol, and dibutyphthalate

Casalini

Bair

Roland

2016

The Journal of Chemical Physics

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We present new viscosity and equation of state (EoS) results extending to high pressures for oterphenyl, salol, and dibutylphthalate. Using these and data from the literature, we show that the three liquids all conform to density scaling; that is, their reduce viscosities and reorientational relaxation times are a function of the ratio of temperature and density with the latter raised to a constant. Moreover, the functional form of the dependence on this ratio is independent of the experimental probe of the dynamics. This means that there is no decoupling of the viscosities and relaxation times over the measured range of conditions. Previous literature at odds with these results were based on erroneous extrapolations of the EoS or problematic diamond anvil viscosity data. Thus, there are no exceptions to the experimental fact that every non-associated liquid complies with density scaling with an invariant scaling exponent.

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Estimating the density-scaling exponent of a monatomic liquid from its pair potential

Cited by 40 publications

References 41 publications

Invariants in the Yukawa system's thermodynamic phase diagram

Invariants in the Yukawa system's thermodynamic phase diagram

Corroborative evidences of TVγ-scaling of the α-relaxation originating from the primitive relaxation/JG β relaxation

Density scaling and decoupling in o-terphenyl, salol, and dibutyphthalate

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