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.Comment: 18 pages, 5 figure

On the gap-opening criterion of migrating planets in protoplanetary disks

We perform two-dimensional hydrodynamical simulations to quantitatively explore the torque balance criterion for gap-opening (as formulated by Crida et al. 2006) in a variety of disks when considering a migrating planet. We find that even when the criterion is satisfied, there are instances when planets still do not open gaps. We stress that gap-opening is not only dependent on whether a planet has the ability to open a gap, but whether it can do so quickly enough. This can be expressed as an additional condition on the gap-opening timescale versus the crossing time, i.e. the time it takes the planet to cross the region which it is carving out. While this point has been briefly made in the previous literature, our results quantify it for a range of protoplanetary disk properties and planetary masses, demonstrating how crucial it is for gap-opening. This additional condition has important implications for the survival of planets formed by core accretion in low mass disks as well as giant planets or brown dwarfs formed by gravitational instability in massive disks. It is particularly important for planets with intermediate masses susceptible to Type III-like migration. For some observed transition disks or disks with gaps, we expect that estimates on the potential planet masses based on the torque balance gap-opening criterion alone may not be sufficient. With consideration of this additional timescale criterion theoretical studies may find a reduced planet survivability or that planets may migrate further inwards before opening a gap.Comment: Accepted by ApJ, 22 pages, 13 figures, 6 table

External Inversion, Internal Inversion, and Reflection Invariance

Having in mind that physical systems have different levels of structure we develop the concept of external, internal and total improper Lorentz transformation (space inversion and time reversal). A particle obtained from the ordinary one by the application of internal space inversion or time reversal is generally a different particle. From this point of view the intrinsic parity of a nuclear particle (`elementary particle') is in fact the external intrinsic parity, if we take into account the internal structure of a particle. We show that non-conservation of the external parity does not necessarily imply non-invariance of nature under space inversion. The conventional theory of beta-decay can be corrected by including the internal degrees of freedom to become invariant under total space inversion, though not under the external one.Comment: 15 pages. An early proposal of "mirror matter", published in 1974. This is an exact copy of the published paper. I am posting it here because of the increasing interest in the "exact parity models" and its experimental consequence

Hydration force fluctuations in hydrophilic planar systems

Utilizing all-atom simulations with explicit solvent, the authors model hydrophilicsurfacesinteracting across water at a fixed chemical potential. They extract the hydration forces acting between the surfaces and assess force fluctuations as well as interlamellar water number fluctuations. The trends obtained from the simulations are captured by a continuum-based description with effective model parameters. The significance of fluctuations depends on surfacehydrophilicity and rigidity. The authors show that the force fluctuations play an important role in kinetic processes in systems with lateral sizes smaller than several tens of nanometers

Atomistic simulations of wetting properties and water films on hydrophilic surfaces

We use molecular simulations to investigate the wetting behavior of water at flat polar surfaces. Introducing a computational procedure based on thermodynamic integration methods, we determine the equilibrium water film thickness on the surface at given vapor density as well as the corresponding change of the surface free energy. The wetting film is relevant on polar surfaces near the wetting transition and significantly alters the surface contact angle. For thin films, the surface free energy change increases linearly with the thickness, as predicted by simple thermodynamic arguments. For thick films we observe deviations from linearity, which we rationalize by the formation of hydrogen bonds between water molecules in the film. Our approach provides an efficient and accurate technique to calculate the wetting properties of surface layers, which we verify by simulating water droplets on the surfaces

From hydration repulsion to dry adhesion between asymmetric hydrophilic and hydrophobic surfaces

Using all-atom molecular dynamics (MD) simulations at constant water chemical potential in combination with basic theoretical arguments, we study hydration- induced interactions between two overall charge-neutral yet polar planar surfaces with different wetting properties. Whether the water film between the two surfaces becomes unstable below a threshold separation and cavitation gives rise to long-range attraction, depends on the sum of the two individual surface contact angles. Consequently, cavitation-induced attraction also occurs for a mildly hydrophilic surface interacting with a very hydrophobic surface. If both surfaces are very hydrophilic, hydration repulsion dominates at small separations and direct attractive force contribution can—if strong enough—give rise to wet adhesion in this case. In between the regimes of cavitation-induced attraction and hydration repulsion we find a narrow range of contact angle combinations where the surfaces adhere at contact in the absence of cavitation. This dry adhesion regime is driven by direct surface–surface interactions. We derive simple laws for the cavitation transition as well as for the transition between hydration repulsion and dry adhesion, which favorably compare with simulation results in a generic adhesion state diagram as a function of the two surface contact angles

Adaptive Resolution Molecular Dynamics Simulation: Changing the Degrees of Freedom on the Fly

We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially localized domains whereas a lower mesoscopic level of detail is sufficient for the rest of the system. Our method allows an on-the-fly interchange between a given molecule's atomic and coarse-grained level of description, enabling us to reach large length and time scales while spatially retaining atomistic details of the system. The new approach is tested on a model system of a liquid of tetrahedral molecules. The simulation box is divided into two regions: one containing only atomistically resolved tetrahedral molecules, the other containing only one particle coarse-grained spherical molecules. The molecules can freely move between the two regions while changing their level of resolution accordingly. The coarse-grained and the atomistically resolved systems have the same statistical properties at the same physical conditions.Comment: 17 pages, 11 figures, 5 table

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.Comment: 19 pages, 10 figure

Evolutionary models of cold and low-mass planets: Cooling curves, magnitudes, and detectability

Future instruments like NIRCam and MIRI on JWST or METIS at the ELT will be able to image exoplanets that are too faint for current direct imaging instruments. Evolutionary models predicting the planetary intrinsic luminosity as a function of time have traditionally concentrated on gas-dominated giant planets. We extend these cooling curves to Saturnian and Neptunian planets. We simulate the cooling of isolated core-dominated and gas giant planets with masses of 5 Earthmasses to 2 Jupitermasses. The luminosity includes the contribution from the cooling and contraction of the core and of the H/He envelope, as well as radiogenic decay. For the atmosphere we use grey, AMES-Cond, petitCODE, and HELIOS models. We consider solar and non-solar metallicities as well as cloud-free and cloudy atmospheres. The most important initial conditions, namely the core-to-envelope ratio and the initial luminosity are taken from planet formation simulations based on the core accretion paradigm. We first compare our cooling curves for Uranus, Neptune, Jupiter, Saturn, GJ 436b, and a 5 Earthmass-planet with a 1% H/He envelope with other evolutionary models. We then present the temporal evolution of planets with masses between 5 Earthmasses and 2 Jupitermasses in terms of their luminosity, effective temperature, radius, and entropy. We discuss the impact of different post formation entropies. For the different atmosphere types and initial conditions magnitudes in various filter bands between 0.9 and 30 micrometer wavelength are provided. Using black body fluxes and non-grey spectra, we estimate the detectability of such planets with JWST. It is found that a 20 (100) Earthmass-planet can be detected with JWST in the background limit up to an age of about 10 (100) Myr with NIRCam and MIRI, respectively.Comment: Language corrected version and improved arrangements of figures, online data at: http://www.space.unibe.ch/research/research_groups/planets_in_time/numerical_data/index_eng.htm

Understanding the “Berg limit”: the 65° contact angle as the universal adhesion threshold of biomatter

Surface phenomena in aqueous environments such as long-range hydrophobic attraction, macromolecular adhesion, and even biofouling are predominantly influenced by a fundamental parameter—the water contact angle. The minimal contact angle required for these and related phenomena to occur has been repeatedly reported to be around 65° and is commonly referred to as the “Berg limit.” However, the universality of this specific threshold across diverse contexts has remained puzzling. In this perspective article, we aim to rationalize the reoccurrence of this enigmatic contact angle. We show that the relevant scenarios can be effectively conceptualized as three-phase problems involving the surface of interest, water, and a generic oil-like material that is representative of the nonpolar constituents within interacting entities. Our analysis reveals that attraction and adhesion emerge when substrates display an underwater oleophilic character, corresponding to a “hydrophobicity under oil”, which occurs for contact angles above approximately 65°. This streamlined view provides valuable insights into macromolecular interactions and holds implications for technological applications