Comment on “Long-time behavior of the angular velocity autocorrelation function” [J. Chem. Phys. <b>105</b>, 9695 (1996)]

Cichocki, B.; Felderhof, B. U.

doi:10.1063/1.474347

Cited by 3 publications

(5 citation statements)

References 7 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Thus the in-cage librations manifest themselves through a slow algebraic t −3/2 decay of the OCF. This behavior is caused by the angular momentum reversion (γ = −1) and has nothing in common with long-time hydrodynamic tails of the angular velocity CFs of Brownian particles (see 12,75,76 and references therein) 77 . It is interesting to point out that the OCFs calculated within the M-39,78 and E-41 diffusion models exhibit similar (∼ t −3/2 ) long time tails, which are commonly regarded as unphysical.…”

Section: Illustrative Calculationsmentioning

confidence: 99%

“…d j km (β) being the reduced Wigner function 63 . It is well known that the exponent d of the long-time hydrodynamic tails t −d/2 of the angular velocity CFs of Brownian particles is determined by the dimensionality of the rotation space: d = 3 for any spherical, symmetric or asymmetric top while d = 2 for a linear rotor ( 75,76 and references therein). This general statement holds true in the present case also, and OCF (36) possesses a ∼ t −1 tail.…”

Section: Appendix a Recursive Relations For Linear And Spherical Top ...mentioning

confidence: 99%

See 1 more Smart Citation

Molecular reorientation in hydrogen-bonding liquids: Through algebraic ∼t−3∕2 relaxation toward exponential decay

Gelin

Kosov

2006

The Journal of Chemical Physics

View full text Add to dashboard Cite

We present a model for the description of orientational relaxation in hydrogen-bonding liquids. The model contains two relaxation parameters which regulate the intensity and efficiency of dissipation, as well as the memory function which is responsible for the short-time relaxation effects. It is shown that the librational portion of the orientational relaxation is described by an algebraic approximately t(-32) contribution, on top of which more rapid and nonmonotonous decays caused by the memory effects are superimposed. The long-time behavior of the orientational relaxation is exponential, although nondiffusional. It is governed by the rotational energy relaxation. We apply the model to interpret recent molecular dynamic simulations and polarization pump-probe experiments on HOD in liquid D(2)O [C. J. Fecko et al., J. Chem. Phys. 122, 054506 (2005)].

show abstract

Section: Illustrative Calculationsmentioning

confidence: 99%

Section: Appendix a Recursive Relations For Linear And Spherical Top ...mentioning

confidence: 99%

Molecular reorientation in hydrogen-bonding liquids: Through algebraic ∼t−3∕2 relaxation toward exponential decay

Gelin

Kosov

2006

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

“…† However, when the hydrodynamic forces are explicitly taken into account, the exponential decay only holds for times smaller than the viscous relaxation time t ν (i.e., for t t ν ). The long time behavior (t > t ν ) of the VACF and AVACF for an centrally symmetric ellipsoidal particle, immersed in a bulk fluid, follows an algebraic decay (Hocquart & Hinch 1983;Lowe et al 1995;Masters 1996;Cichocki & Felderhof 1997;Masters 1997) given by…”

Section: Translational Velocity Autocorrelation (Vacf) and Rotational...mentioning

confidence: 99%

“…There has been a considerable amount of published literature (Hocquart & Hinch 1983;Lowe et al 1995;Masters 1996;Cichocki & Felderhof 1997;Masters 1997) related to the particle shape dependence on the VACF and AVACF. Almost all of these studies concern themselves with the long time algebraic decay of AVACF in unconfined systems.…”

Section: Translational Velocity Autocorrelation (Vacf) and Rotational...mentioning

confidence: 99%

Motion of a nano-spheroid in a cylindrical vessel flow: Brownian and hydrodynamic interactions

et al. 2017

View full text Add to dashboard Cite

We study the motion of a buoyant or a nearly neutrally buoyant nano-sized spheroid in a fluid filled tube without or with an imposed pressure gradient (weak Poiseuille flow). The fluctuating hydrodynamics approach and the deterministic method are both employed. We ensure that the fluctuation–dissipation relation and the principle of thermal equipartition of energy are both satisfied. The major focus is on the effect of the confining boundary. Results for the velocity and the angular velocity autocorrelations (VACF and AVACF), the diffusivities and the drag and the lift forces as functions of the shape, the aspect ratio, the inclination angle and the proximity to the wall are presented. For the parameters considered, the boundary modifies the VACF and AVACF such that three distinct regimes are discernible – an initial exponential decay followed by an algebraic decay culminating in a second exponential decay. The first is due to the thermal noise, the algebraic regime is due both to the thermal noise and the hydrodynamic correlations, while the second exponential decay shows the effect of momentum reflection from the confining wall. Our predictions display excellent comparison with published results for the algebraic regime (the only regime for which earlier results exist). We also discuss the role of the off-diagonal elements of the mobility and the diffusivity tensors that enable the quantifications of the degree of lift and margination of the nanocarrier. Our study covers a range of parameters that are of wide applicability in nanotechnology, microrheology and in targeted drug delivery.

show abstract

“…Only in the artificial case of a Brownian particle with zero rotational diffusion constant does one find a shape-dependent tail. [6][7][8] Given this summary of our position, we turn to the points raised in the Comment by Cichocki and Felderhof. 8 In their Comment, Cichocki and Felderhof claim that particle reorientation is a nonlinear effect and, as such, plays no role in determining the form of the AVACF.…”

mentioning

confidence: 99%

Response to “Comment on ‘Long time behavior of the angular velocity autocorrelation function’ ” [J. Chem. Phys. 107, 291 (1997)]

Masters

1997

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

Comment on “Long-time behavior of the angular velocity autocorrelation function” [J. Chem. Phys. 105, 9695 (1996)]

Abstract: It is pointed out that Masters, in his analysis of the long-time tail of the angular velocity autocorrelation function of a Brownian particle, incorrectly incorporates a nonlinear effect in the calculation of the linear frequency-dependent friction matrix.

Cited by 3 publications

References 7 publications

Molecular reorientation in hydrogen-bonding liquids: Through algebraic ∼t−3∕2 relaxation toward exponential decay

Molecular reorientation in hydrogen-bonding liquids: Through algebraic ∼t−3∕2 relaxation toward exponential decay

Motion of a nano-spheroid in a cylindrical vessel flow: Brownian and hydrodynamic interactions

Response to “Comment on ‘Long time behavior of the angular velocity autocorrelation function’ ” [J. Chem. Phys. 107, 291 (1997)]

Contact Info

Product

Resources

About