Highly accurate calculation of rotating neutron stars: Detailed description of the numerical methods

We give a detailed description of the recently developed multi-domain spectral method for constructing highly accurate general-relativistic models of rapidly rotating stars. For both "ordinary" and "critical" configurations, it is exhibited by means of representative examples, how the accuracy improves as the order of the approximation increases. Apart from homogeneous fluid bodies, we also discuss models of polytropic and strange stars.Comment: 22 pages, 4 figures, 9 tables, version accepted by A&

Equilibrium Configurations of Homogeneous Fluids in General Relativity

By means of a highly accurate, multi-domain, pseudo-spectral method, we investigate the solution space of uniformly rotating, homogeneous and axisymmetric relativistic fluid bodies. It turns out that this space can be divided up into classes of solutions. In this paper, we present two new classes including relativistic core-ring and two-ring solutions. Combining our knowledge of the first four classes with post-Newtonian results and the Newtonian portion of the first ten classes, we present the qualitative behaviour of the entire relativistic solution space. The Newtonian disc limit can only be reached by going through infinitely many of the aforementioned classes. Only once this limiting process has been consummated, can one proceed again into the relativistic regime and arrive at the analytically known relativistic disc of dust.Comment: 8 pages, colour figures, v3: minor additions including one reference, accepted by MNRA

Collisions of rigidly rotating disks of dust in General Relativity

We discuss inelastic collisions of two rotating disks by using the conservation laws for baryonic mass and angular momentum. In particular, we formulate conditions for the formation of a new disk after the collision and calculate the total energy loss to obtain upper limits for the emitted gravitational energy.Comment: 30 pages, 9 figure

Relativistic Dyson Rings and Their Black Hole Limit

In this Letter we investigate uniformly rotating, homogeneous and axisymmetric relativistic fluid bodies with a toroidal shape. The corresponding field equations are solved by means of a multi-domain spectral method, which yields highly accurate numerical solutions. For a prescribed, sufficiently large ratio of inner to outer coordinate radius, the toroids exhibit a continuous transition to the extreme Kerr black hole. Otherwise, the most relativistic configuration rotates at the mass-shedding limit. For a given mass-density, there seems to be no bound to the gravitational mass as one approaches the black-hole limit and a radius ratio of unity.Comment: 13 pages, 1 table, 5 figures, v2: some discussion and two references added, accepted for publication in Astrophys. J. Let

Data-driven discovery of cardiolipin-selective small molecules by computational active learning

Subtle variations in the lipid composition of mitochondrial membranes can have a profound impact on mitochondrial function. The inner mitochondrial membrane contains the phospholipid cardiolipin, which has been demonstrated to act as a biomarker for a number of diverse pathologies. Small molecule dyes capable of selectively partitioning into cardiolipin membranes enable visualization and quantification of the cardiolipin content. Here we present a data-driven approach that combines a deep learning-enabled active learning workflow with coarse-grained molecular dynamics simulations and alchemical free energy calculations to discover small organic compounds able to selectively permeate cardiolipin-containing membranes. By employing transferable coarse-grained models we efficiently navigate the all-atom design space corresponding to small organic molecules with molecular weight less than ≈500 Da. After direct simulation of only 0.42% of our coarse-grained search space we identify molecules with considerably increased levels of cardiolipin selectivity compared to a widely used cardiolipin probe 10-N-nonyl acridine orange. Our accumulated simulation data enables us to derive interpretable design rules linking coarse-grained structure to cardiolipin selectivity. The findings are corroborated by fluorescence anisotropy measurements of two compounds conforming to our defined design rules. Our findings highlight the potential of coarse-grained representations and multiscale modelling for materials discovery and design

The Bacteriostatic Activity of 2-Phenylethanol Derivatives Correlates with Membrane Binding Affinity

The hydrophobic tails of aliphatic primary alcohols do insert into the hydrophobic core of a lipid bilayer. Thereby, they disrupt hydrophobic interactions between the lipid molecules, resulting in a decreased lipid order, i.e., an increased membrane fluidity. While aromatic alcohols, such as 2-phenylethanol, also insert into lipid bilayers and disturb the membrane organization, the impact of aromatic alcohols on the structure of biological membranes, as well as the potential physiological implication of membrane incorporation has only been studied to a limited extent. Although diverse targets are discussed to be causing the bacteriostatic and bactericidal activity of 2-phenylethanol, it is clear that 2-phenylethanol severely affects the structure of biomembranes, which has been linked to its bacteriostatic activity. Yet, in fungi some 2-phenylethanol derivatives are also produced, some of which appear to also have bacteriostatic activities. We showed that the 2-phenylethanol derivatives phenylacetic acid, phenyllactic acid, and methyl phenylacetate, but not Tyrosol, were fully incorporated into model membranes and affected the membrane organization. Furthermore, we observed that the propensity of the herein-analyzed molecules to partition into biomembranes positively correlated with their respective bacteriostatic activity, which clearly linked the bacteriotoxic activity of the substances to biomembranes

Differentially rotating disks of dust

We present a three-parameter family of solutions to the stationary axisymmetric Einstein equations that describe differentially rotating disks of dust. They have been constructed by generalizing the Neugebauer-Meinel solution of the problem of a rigidly rotating disk of dust. The solutions correspond to disks with angular velocities depending monotonically on the radial coordinate; both decreasing and increasing behaviour is exhibited. In general, the solutions are related mathematically to Jacobi's inversion problem and can be expressed in terms of Riemann theta functions. A particularly interesting two-parameter subfamily represents Baecklund transformations to appropriate seed solutions of the Weyl class.Comment: 14 pages, 3 figures. To appear in "General Relativity and Gravitation". Second version with minor correction

Differentially rotating disks of dust: Arbitrary rotation law

In this paper, solutions to the Ernst equation are investigated that depend on two real analytic functions defined on the interval [0,1]. These solutions are introduced by a suitable limiting process of Backlund transformations applied to seed solutions of the Weyl class. It turns out that this class of solutions contains the general relativistic gravitational field of an arbitrary differentially rotating disk of dust, for which a continuous transition to some Newtonian disk exists. It will be shown how for given boundary conditions (i. e. proper surface mass density or angular velocity of the disk) the gravitational field can be approximated in terms of the above solutions. Furthermore, particular examples will be discussed, including disks with a realistic profile for the angular velocity and more exotic disks possessing two spatially separated ergoregions.Comment: 23 pages, 3 figures, submitted to 'General Relativity and Gravitation

Spectral Decorrelation of Nuclear Levels in the Presence of Continuum Decay

The fluctuation properties of nuclear giant resonance spectra are studied in the presence of continuum decay. The subspace of quasi-bound states is specified by one-particle one-hole and two-particle two-hole excitations and the continuum coupling is generated by a scattering ensemble. It is found that, with increasing number of open channels, the real parts of the complex eigenvalues quickly decorrelate. This appears to be related to the transition from power-law to exponential time behavior of the survival probability of an initially non-stationary state.Comment: 10 Pages, REVTEX, 4 PostScript figure

On the black hole limit of rotating discs and rings

Solutions to Einstein's field equations describing rotating fluid bodies in equilibrium permit parametric (i.e. quasi-stationary) transitions to the extreme Kerr solution (outside the horizon). This has been shown analytically for discs of dust and numerically for ring solutions with various equations of state. From the exterior point of view, this transition can be interpreted as a (quasi) black hole limit. All gravitational multipole moments assume precisely the values of an extremal Kerr black hole in the limit. In the present paper, the way in which the black hole limit is approached is investigated in more detail by means of a parametric Taylor series expansion of the exact solution describing a rigidly rotating disc of dust. Combined with numerical calculations for ring solutions our results indicate an interesting universal behaviour of the multipole moments near the black hole limit.Comment: 18 pages, 4 figures; Dedicated to Gernot Neugebauer on the occasion of his 70th birthda