arXiv subjects

Rudolf Podgornik

Publications and source records attributed to Rudolf Podgornik.

At least 127 records · Page 7Linked to original sources

arXiv2012

Coil-globule transition of a homopolymer chain in a square-well potential: Comparison between Monte Carlo canonical replica exchange and Wang-Landau sampling

We study the equilibrium properties of a flexible homopolymer where consecutive monomers are represented by impenetrable hard spheres that are tangent to each other, and non-consecutive monomers interact via a square-well potential. To this aim, we use both replica exchange canonical simulations and micro-canonical Wang-Landau techniques for relatively short chains, and perform a close comparative analysis of the corresponding results. These investigations are then further exploited to reproduce, at a much shorter scale and, hence, computational effort, the phase diagram previously studied with much longer chains. This opens up the possibility of improving the model and introduce specificities typical, among other examples, of protein folding.

cond-mat.soft↗

arXiv2012

Out of equilibrium thermal Casimir effect in a model polarizable material

Relaxation of the thermal Casimir or van der Waals force for a model dielectric medium is investigated. We start with a model of interacting polarization fields with a dynamics that leads to a frequency dependent dielectric constant of the Debye form. In the static limit the usual zero frequency Matsubara mode component of the Casimir force is recovered. We then consider the out of equilibrium relaxation of the van der Waals force to its equilibrium value when two initially uncorrelated dielectric bodies are brought into sudden proximity. It is found that the spatial dependence of the out of equilibrium force is the same as the equilibrium one but it has a time dependent amplitude, or Hamaker coefficient, which increases in time to its equilibrium value. The final relaxation to the equilibrium value is exponential in systems with a single or finite number of polarization field relaxation times. However, in systems, such as those described by the Havriliak-Negami dielectric constant, with a broad distribution of relaxation times, we observe a much slower power law decay to the equilibrium value.

cond-mat.stat-mech↗

arXiv2011

Ordering of anisotropic polarizable polymer chains on the full many-body level

We study the effect of dielectric anisotropy of polymers on their equilibrium ordering within mean-field theory but with a formalism that takes into account the full n-body nature of van der Waals forces. Dielectric anisotropy within polymers is to be expected as the electronic properties of the polymer will typically be different along the polymer than across its cross section. It is therefore physically intuitive that larger charge fluctuations can be induced along the chain than perpendicular to it. We show that this dielectric anisotropy leads to n-body interactions which can induce an isotropic--nematic transition. The two body and three body components of the full van der Waals interaction are extracted and it is shown how the two body term behaves like the phenomenological self-aligning-pairwise nematic interaction. At the three body interaction level we see that the nematic phase that is energetically favorable is discotic, however on the full n-body interaction level we find that the normal axial nematic phase is always the stable ordered phase. The n-body nature of our approach also shows that the key parameter driving the nematic-isotropic transition is the bare persistence length of the polymer chain.

cond-mat.soft↗

arXiv2011

Energies and pressures in viruses: contribution of nonspecific electrostatic interactions

We summarize some aspects of electrostatic interactions in the context of viruses. A simplified but, within well defined limitations, reliable approach is used to derive expressions for electrostatic energies and the corresponding osmotic pressures in single-stranded RNA viruses and double-stranded DNA bacteriophages. The two types of viruses differ crucially in the spatial distribution of their genome charge which leads to essential differences in their free energies, depending on the capsid size and total charge in a quite different fashion. Differences in the free energies are trailed by the corresponding characteristics and variations in the osmotic pressure between the inside of the virus and the external bathing solution.

physics.bio-ph↗

arXiv2011

Overscreening in 1D lattice Coulomb gas model of ionic liquids

Overscreening in the charge distribution of ionic liquids at electrified interfaces is shown to proceed from purely electrostatic and steric interactions in an exactly soluble one dimensional lattice Coulomb gas model. Being not a mean-field effect, our results suggest that even in higher dimensional systems the overscreening could be accounted for by a more accurate treatment of the basic lattice Coulomb gas model, that goes beyond the mean field level of approximation, without any additional interactions.

cond-mat.stat-mech↗

arXiv2011

Many-body effects in van der Waals-Casimir interaction between graphene layers

Van der Waals-Casimir dispersion interactions between two apposed graphene layers, a graphene layer and a substrate, and in a multilamellar graphene system are analyzed within the framework of the Lifshitz theory. This formulation hinges on a known form of the dielectric response function of an undoped or doped graphene sheet, assumed to be of a random phase approximation form. In the geometry of two apposed layers the separation dependence of the van der Waals-Casimir interaction for both types of graphene sheets is determined and compared with some well known limiting cases. In a multilamellar array the many-body effects are quantified and shown to increase the magnitude of the van der Waals-Casimir interactions.

cond-mat.mes-hall↗

arXiv2011

Electrostatic self-energy of a partially formed spherical shell in salt solution: application to stability of tethered and fluid shells -- viruses and vesicles

We investigate the electrostatics of a partially formed, charged spherical shell in a salt solution. We solve the problem numerically at the Poisson-Boltzmann level and analytically in the Debye-Huckel regime. From the results on energetics of partially formed shells we examine the stability of tethered (crystalline) and fluid shells towards rupture. We clearly delineate different regimes of stability towards rupture, where, for fluid shells, we also include the effects of bending elasticity of the shells. Our analysis shows how charging of the shell induces its instability towards rupture but also provides insight regarding growth of charged shells.

physics.bio-ph↗

arXiv2011

Dressed Counterions: Poly- and monovalent ions at charged dielectric interfaces

We investigate the ion distribution and overcharging at charged interfaces with dielectric inhomogeneities in the presence of asymmetric electrolytes containing polyvalent and monovalent ions. We formulate an effective "dressed counterion" approach by integrating out the monovalent salt degrees of freedom and show that it agrees with results of explicit Monte-Carlo simulations. We then apply the dressed counterion approach within the framework of the strong-coupling theory, valid for polyvalent ions at low concentrations, which enables an analytical description for salt effects as well as dielectric inhomogeneities in the limit of strong Coulomb interactions on a systematic level. Limitations and applicability of this theory are examined by comparing the results with simulations.

cond-mat.soft↗

arXiv2010

Sample-to-sample fluctuations of electrostatic forces generated by quenched charge disorder

It has been recently shown that randomly charged surfaces can exhibit long range electrostatic interactions even when they are net neutral. These forces depend on the specific realization of charge disorder and thus exhibit sample to sample fluctuations about their mean value. We analyze the fluctuations of these forces in the parallel slab configuration and also in the sphere-plane geometry via the proximity force approximation. The fluctuations of the normal forces, that have a finite mean value, are computed exactly. Surprisingly, we also show that lateral forces are present, despite the fact that they have a zero mean, and that their fluctuations have the same scaling behavior as the normal force fluctuations. The measurement of these lateral force fluctuations could help to characterize the effects of charge disorder in experimental systems, leading to estimates of their magnitudes that are complementary to those given by normal force measurements.

cond-mat.soft↗

arXiv2010

Non-monotoic fluctuation-induced interactions between dielectric slabs carrying charge disorder

We investigate the effect of monopolar charge disorder on the classical fluctuation-induced interactions between randomly charged net-neutral dielectric slabs and discuss various generalizations of recent results (A. Naji et al., Phys. Rev. Lett. 104, 060601 (2010)) to highly inhomogeneous dielectric systems with and without statistical disorder correlations. We shall focus on the specific case of two generally dissimilar plane-parallel slabs, which interact across vacuum or an arbitrary intervening dielectric medium. Monopolar charge disorder is considered to be present on the bounding surfaces and/or in the bulk of the slabs, may be in general quenched or annealed and may possess a finite lateral correlation length reflecting possible `patchiness' of the random charge distribution. In the case of quenched disorder, the bulk disorder is shown to give rise to an additive long-range contribution to the total force, which decays as the inverse distance between the slabs and may be attractive or repulsive depending on the dielectric constants of the slabs. We show that in the case of two dissimilar slabs the net effect due to the interplay between the disorder-induced and the pure van der Waals interactions can lead to a variety of unusual non-monotonic interaction profiles between the dielectric slabs. In particular, when the intervening medium has a larger dielectric constant than the two slabs, we find that the net interaction can become repulsive and exhibit a potential barrier, while the underlying van der Waals force is attractive. On the contrary, when the intervening medium has a dielectric constant in between that of the two slabs, the net interaction can become attractive and exhibit a free energy minimum, while the pure van der Waals force is repulsive. Therefore, the charge disorder, if present, can drastically alter the effective interaction between net-neutral objects.

cond-mat.soft↗

arXiv2010

Exotic Electrostatics: Unusual Features of Electrostatic Interactions between Macroions

We present an overview of our understanding of electrostatic interactions between charged macromolecular surfaces mediated by mobile counter- and coions. The dichotomy between the weak and the strong coupling regimes is described in detail and the way they engender repulsive and attractive interactions between nominally equally charged macroions. We also introduce the concept of dressed counterions in the case of many-component Coulomb fluids that are partially weakly and partially strongly coupled to local electrostatic fields leading to non-monotonic interactions between equally charged macroions. The effect of quenched surface charge disorder on the counterion-mediated electrostatic interactions is analyzed within the same conceptual framework and shown to lead to unexpected and extraordinary electrostatic interactions between randomly charged surfaces with equal mean surface charge densities or even between effectively neutral macroion surfaces. As a result, these recent developments challenge some cherished notions of pop culture.

cond-mat.soft↗

arXiv2010

Confined polymer nematics: order and packing in a nematic drop

We investigate the tight packing of nematic polymers inside a confining hard sphere. We model the polymer {\sl via} the continuum Frank elastic free energy augmented by a simple density dependent part as well as by taking proper care of the connectivity of the polymer chains when compared with simple nematics. The free energy {\sl ansatz} is capable of describing an orientational ordering transition within the sample between an isotropic polymer solution and a polymer nematic phase. We solve the Euler-Lagrange equations numerically with the appropriate boundary conditions for the director and density field and investigate the orientation and density profile within a sphere. Two important parameters of the solution are the exact locations of the beginning and the end of the polymer chain. Pending on their spatial distribution and the actual size of the hard sphere enclosure we can get a plethora of various configurations of the chain exhibiting different defect geometry.

cond-mat.soft↗

arXiv2010

Counterion-Mediated Weak and Strong Coupling Electrostatic Interaction between Like-Charged Cylindrical Dielectrics

We examine the effective counterion-mediated electrostatic interaction between two like-charged dielectric cylinders immersed in a continuous dielectric medium containing neutralizing mobile counterions. We focus on the effects of image charges induced as a result of the dielectric mismatch between the cylindrical cores and the surrounding dielectric medium and investigate the counterion-mediated electrostatic interaction between the cylinders in both limits of weak and strong electrostatic couplings (corresponding, e.g., to systems with monovalent and multivalent counterions, respectively). The results are compared with extensive Monte-Carlo simulations exhibiting good agreement with the limiting weak and strong coupling results in their respective regime of validity.

cond-mat.soft↗

arXiv2010

Dressed Counterions: Strong Electrostatic Coupling in the Presence of Salt

We reformulate the theory of strong electrostatic coupling in order to describe an asymmetric electrolyte solution of monovalent salt ions and polyvalent counterions using field-theoretical techniques and Monte-Carlo simulations. The theory is based on an asymmetric treatment of the different components of the electrolyte solution. The weak coupling Debye-Huckel approach is used in order to describe the monovalent salt ions while a strong coupling approach is used to tackle the polyvalent counterions. This combined weak-strong coupling approach effectively leads to dressed interactions between polyvalent counterions and thus directly affects the correlation attraction mediated by polyvalent counterions between like-charged objects. The general theory is specifically applied to a system composed of two uniformly charged plane-parallel surfaces in the presence of salt and polyvalent counterions. In the strong coupling limit for polyvalent counterions the comparison with Monte-Carlo simulations shows good agreement for large enough values of the electrostatic coupling parameter. We delineate two limiting laws that in fact encompass all the Monte-Carlo data.

cond-mat.soft↗

arXiv2009

Fluctuation-Induced Interaction between Randomly Charged Dielectrics

Monopolar charge disorder effects are studied in the context of fluctuation-induced interactions between neutral dielectric slabs. It is shown that quenched bulk charge disorder gives rise to an additive contribution to the net interaction force which decays as the inverse distance between the slabs and may thus completely mask the standard Casimir--van der Waals force at large separations. By contrast, annealed (bulk or surface) charge disorder leads to a net interaction force whose large-distance behavior coincides with the universal Casimir force between perfect conductors, which scales as inverse cubic distance, and the dielectric properties enter only in subleading corrections.

cond-mat.other↗

arXiv2009

Thermodynamics of nano-spheres encapsulated in virus capsids

We investigate the thermodynamics of complexation of functionalized charged nano-spheres with viral proteins. The physics of this problem is governed by electrostatic interaction between the proteins and the nano-sphere cores (screened by salt ions), but also by configurational degrees of freedom of the charged protein N-tails. We approach the problem by constructing an appropriate complexation free energy functional. On the basis of both numerical and analytical studies of this functional we construct the phase diagram for the assembly which contains the information on the assembled structures that appear in the thermodynamical equilibrium, depending on the size and surface charge density of the nano-sphere cores. We show that both the nano-sphere core charge as well as its radius determine the size of the capsid that forms around the core.

cond-mat.soft↗

arXiv2009

The effects of dielectric disorder on van der Waals interactions in slab geometries

We study the thermal Casimir effect between two thick slabs composed of plane-parallel layers of random dielectric materials interacting across an intervening homogeneous dielectric. It is found that the effective interaction at long distances is self averaging and its value is given by a that between non-random media with the effective dielectric tensor of the corresponding random media. The behavior at short distances becomes random (sample dependent) and is dominated by the local values of the dielectric constants proximal to each other across the homogeneous slab. These results are extended to the regime of intermediate slab separations by using perturbation theory for weak disorder and also by extensive numerical simulations for a number of systems where the dielectric function has a log-normal distribution.

cond-mat.stat-mech↗

arXiv2009

Partially Annealed Disorder and Collapse of Like-Charged Macroions

Charged systems with partially annealed charge disorder are investigated using field-theoretic and replica methods. Charge disorder is assumed to be confined to macroion surfaces surrounded by a cloud of mobile neutralizing counterions in an aqueous solvent. A general formalism is developed by assuming that the disorder is partially annealed (with purely annealed and purely quenched disorder included as special cases), i.e., we assume in general that the disorder undergoes a slow dynamics relative to fast-relaxing counterions making it possible thus to study the stationary-state properties of the system using methods similar to those available in equilibrium statistical mechanics. By focusing on the specific case of two planar surfaces of equal mean surface charge and disorder variance, it is shown that partial annealing of the quenched disorder leads to renormalization of the mean surface charge density and thus a reduction of the inter-plate repulsion on the mean-field or weak-coupling level. In the strong-coupling limit, charge disorder induces a long-range attraction resulting in a continuous disorder-driven collapse transition for the two surfaces as the disorder variance exceeds a threshold value. Disorder annealing further enhances the attraction and, in the limit of low screening, leads to a global attractive instability in the system.

cond-mat.soft↗