Shear-induced deconfinement of hard disks

Jahreis, Nikolai; Schmidt, Matthias

doi:10.1007/s00396-020-04644-1

Cited by 13 publications

(15 citation statements)

References 63 publications

(128 reference statements)

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“…The adiabatic construction, illustrated in Figure 2, was explicitly demonstrated on the basis of computer simulation results by Fortini et al (2014) using a one-dimensional hard core system. A range of subsequent studies were aimed at the Gaussian core model (Bernreuther and Schmidt, 2016;Stuhlmüller et al, 2018), the Lennard-Jones liquid (Schindler and Schmidt, 2016), Weeks-Chandler-Andersen repulsive particles (de las Heras and Schmidt, 2020), and hard disks (de las Heras and Schmidt, 2018;Jahreis and Schmidt, 2020). A very elegant and computationally straightforward implementation in simulation work is via the custom flow method by de las Heras et al (2019), as described below in Sec.…”

Section: A the Adiabatic Constructionmentioning

confidence: 99%

“…For each vector field its magnitude (curves) and direction (arrows) are indicated. Taken from de las Heras and Schmidt (2020); see also (Jahreis and Schmidt, 2020;Stuhlmüller et al, 2018).…”

Section: F Custom Flow Algorithmmentioning

confidence: 99%

“…Nevertheless, f ad (r, t) is in general neither negligible nor a small contribution (although there are special cases where f ad (r, t) = 0 or small, such as in strong shear flow of a nearly homogeneous system (Jahreis and Schmidt, 2020) or the specifically tailored systems of de las Heras and Schmidt ( 2020)). We will demonstrate below the functional structure, which involves a superadiabatic current-density functional P exc t [ρ, J], which generates the superadiabatic force field via functional differentiation,…”

Section: A the Adiabatic Constructionmentioning

confidence: 99%

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Power functional theory for Newtonian many-body dynamics

Schmidt

2018

The Journal of Chemical Physics

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We construct a variational theory for the inertial dynamics of classical many-body systems out of equilibrium. The governing (power rate) functional depends on three time- and space-dependent one-body distributions, namely, the density, the particle current, and the time derivative of the particle current. The functional is minimized by the true time derivative of the current. Together with the continuity equation, the corresponding Euler-Lagrange equation uniquely determines the time evolution of the system. An adiabatic approximation introduces both the free energy functional and the Brownian free power functional, as is relevant for liquids governed by molecular dynamics at constant temperature. The forces beyond the Brownian power functional are generated from a superpower (above the overdamped Brownian) functional.

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Section: A the Adiabatic Constructionmentioning

confidence: 99%

Section: F Custom Flow Algorithmmentioning

confidence: 99%

Section: A the Adiabatic Constructionmentioning

confidence: 99%

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Power functional theory for Newtonian many-body dynamics

Schmidt

2018

The Journal of Chemical Physics

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“…Recent results for hard disks imply that the prefactor f ∼γ 0.8 [61]. However, here we further simplify by assuming f = aγ , where a = 1 is constant [53].…”

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Sensitive dependence on molecular interactions of length scales in sheared soft matter

Scacchi¹,

Mazza²,

Archer³

2020

Phys. Rev. Research

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The structure and degree of order in soft matter and other materials is intimately connected to the nature of the interactions between the particles. One important research goal is to find suitable control mechanisms, to enhance or suppress different structures. Using dynamical density functional theory, we investigate the interplay between external shear and the characteristic length scales in the interparticle correlations of a model system. We show that shear can controllably change the characteristic length scale from one to another quite distinct value. Moreover, with specific small changes in the form of the particle interactions, the applied shear can either selectively enhance or suppress the different characteristic wavelengths of the system, thus showing how to tune these. Our results suggest that the nonlinear response to flow can be harnessed to design different actively responsive materials.

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“…Recent results for hard-disks imply that the prefactor f ∼ γ0.8 [61]. However, here we further simplify by assuming f = a γ, where a = 1 is constant [53].…”

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confidence: 99%

Length-scales in sheared soft matter depend sensitively on molecular interactions

Scacchi,

Mazza,

Archer

2020

Preprint

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The structure and degree of order in soft matter and other materials is intimately connected to the nature of the interactions between the particles. One important research goal is to find suitable control mechanisms, to enhance or suppress different structures. Using dynamical density functional theory, we investigate the interplay between external shear and the characteristic length-scales in the interparticle correlations of a model system. We show that shear can controllably change the characteristic length-scale from one to another quite distinct value. Moreover, with specific small changes in the form of the particle interactions, the applied shear can either selectively enhance or suppress the different characteristic wavelengths of the system, thus showing how to tune these. Our results suggest that the nonlinear response to flow can be harnessed to design novel actively responsive materials.

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Shear-induced deconfinement of hard disks

Cited by 13 publications

References 63 publications

Power functional theory for Newtonian many-body dynamics

Power functional theory for Newtonian many-body dynamics

Sensitive dependence on molecular interactions of length scales in sheared soft matter

Length-scales in sheared soft matter depend sensitively on molecular interactions

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