Direct Simulations of Homogeneous Bubble Nucleation: Agreement with CNT and no Local Hot Spots

We present results from direct, large-scale molecular dynamics (MD) simulations of homogeneous bubble (liquid-to-vapor) nucleation. The simulations contain half a billion Lennard-Jones (LJ) atoms and cover up to 56 million time-steps. The unprecedented size of the simulated volumes allows us to resolve the nucleation and growth of many bubbles per run in simple direct micro-canonical (NVE) simulations while the ambient pressure and temperature remain almost perfectly constant. We find bubble nucleation rates which are lower than in most of the previous, smaller simulations. It is widely believed that classical nucleation theory (CNT) generally underestimates bubble nucleation rates by very large factors. However, our measured rates are within two orders of magnitude of CNT predictions - only at very low temperatures does CNT underestimate the nucleation rate significantly. Introducing a small, positive Tolman length leads to very good agreement at all temperatures, as found in our recent vapor-to-liquid nucleation simulations. The critical bubbles sizes derived with the nucleation theorem agree well with the CNT predictions at all temperatures. Local hot spots reported in the literature are not seen: Regions where a bubble nucleation events will occur are not above the average temperature, and no correlation of temperature fluctuations with subsequent bubble formation is seen.Comment: 15 pages, 13 figures. Submitted to PRE. Simulation movies available at http://www.ics.uzh.ch/~diemand/movies

Simple improvements to classical bubble nucleation models

We revisit classical nucleation theory (CNT) for the homogeneous bubble nucleation rate and improve the classical formula using a new prefactor in the nucleation rate. Most of the previous theoretical studies have used the constant prefactor determined by the bubble growth due to the evaporation process from the bubble surface. However, the growth of bubbles is also regulated by the thermal conduction, the viscosity, and the inertia of liquid motion. These effects can decrease the prefactor significantly, especially when the liquid pressure is much smaller than the equilibrium one. The deviation in the nucleation rate between the improved formula and the CNT can be as large as several orders of magnitude. Our improved, accurate prefactor and recent advances in molecular dynamics simulations and laboratory experiments for argon bubble nucleation enable us to precisely constrain the free energy barrier for bubble nucleation. Assuming the correction to the CNT free energy is of the functional form suggested by Tolman, the precise evaluations of the free energy barriers suggest the Tolman length is $\simeq 0.3 \sigma$ independently of the temperature for argon bubble nucleation, where $\sigma$ is the unit length of the Lenard-Jones potential. With this Tolman correction and our new prefactor one gets accurate bubble nucleation rate predictions in the parameter range probed by current experiments and molecular dynamics simulations.Comment: 10pages, 6figures, Accepted for publication in Physical Review

Free energy of cluster formation and a new scaling relation for the nucleation rate

Recent very large molecular dynamics simulations of homogeneous nucleation with $(1-8) \cdot 10^9$ Lennard-Jones atoms [Diemand et al. J. Chem. Phys. {\bf 139}, 074309 (2013)] allow us to accurately determine the formation free energy of clusters over a wide range of cluster sizes. This is now possible because such large simulations allow for very precise measurements of the cluster size distribution in the steady state nucleation regime. The peaks of the free energy curves give critical cluster sizes, which agree well with independent estimates based on the nucleation theorem. Using these results, we derive an analytical formula and a new scaling relation for nucleation rates: $\ln J' / \eta$ is scaled by $\ln S / \eta$, where the supersaturation ratio is $S$, $\eta$ is the dimensionless surface energy, and $J'$ is a dimensionless nucleation rate. This relation can be derived using the free energy of cluster formation at equilibrium which corresponds to the surface energy required to form the vapor-liquid interface. At low temperatures (below the triple point), we find that the surface energy divided by that of the classical nucleation theory does not depend on temperature, which leads to the scaling relation and implies a constant, positive Tolman length equal to half of the mean inter-particle separation in the liquid phase.Comment: 7 figure

Pure iron grains are rare in the universe

The abundant forms in which the major elements in the universe exist have been determined from numerous astronomical observations and meteoritic analyses. Iron (Fe) is an exception, in that only depletion of gaseous Fe has been detected in the interstellar medium, suggesting that Fe is condensed into a solid, possibly the astronomically invisible metal. To determine the primary form of Fe, we replicated the formation of Fe grains in gaseous ejecta of evolved stars by means of microgravity experiments. We found that the sticking probability for formation of Fe grains is extremely small; only several atoms will stick per hundred thousand collisions, so that homogeneous nucleation of metallic Fe grains is highly ineffective, even in the Fe-rich ejecta of Type Ia supernovae. This implies that most Fe is locked up as grains of Fe compounds or as impurities accreted onto other grains in the interstellar medium

Low-Temperature Crystallization of Amorphous Silicate in Astrophysical Environments

We construct a theoretical model for low-temperature crystallization of amorphous silicate grains induced by exothermic chemical reactions. As a first step, the model is applied to the annealing experiments, in which the samples are (1) amorphous silicate grains and (2) amorphous silicate grains covered with an amorphous carbon layer. We derive the activation energies of crystallization for amorphous silicate and amorphous carbon from the analysis of the experiments. Furthermore, we apply the model to the experiment of low-temperature crystallization of amorphous silicate core covered with an amorphous carbon layer containing reactive molecules. We clarify the conditions of low-temperature crystallization due to exothermic chemical reactions. Next, we formulate the crystallization conditions so as to be applicable to astrophysical environments. We show that the present crystallization mechanism is characterized by two quantities: the stored energy density Q in a grain and the duration of the chemical reactions \tau . The crystallization conditions are given by Q > Q_{min} and \tau < \tau _{cool} regardless of details of the reactions and grain structure, where \tau _{cool} is the cooling timescale of the grains heated by exothermic reactions, and Q_{min} is minimum stored energy density determined by the activation energy of crystallization. Our results suggest that silicate crystallization occurs in wider astrophysical conditions than hitherto considered.Comment: 9 figures, accepted for publication in Astrophysical

Largely Extended X-ray Emission around the Elliptical Galaxy NGC 4636 Observed with ASCA

ASCA observations of NGC 4636 and a southern region have revealed extended X-ray emission to a radius of about 300 kpc from the galaxy. The symmetric nature of the observed surface brightness around NGC 4636 indicates its association to this galaxy rather than to the Virgo cluster. Model independent estimation of the gravitational mass profile shows a flattening at a radius of $20 \sim 35$ kpc, where the total mass reaches $\sim 6\times 10^{11} M_\odot$ and a mass-to-light ratio of 23. The mass still increases to larger radii, reaching $9\times10^{12} M_\odot$ with a mass-to-light ratio of 300 at $\sim$ 300 kpc from NGC 4636. These features suggest presence of a galaxy group surrounding NGC 4636. If such optically dark groups are common among X-ray bright ellipticals, it would explain the very large scatter in their X-ray luminosities with similar optical luminosities.Comment: 14 pages with 3 figures, AAS Latex, accepted to ApJ

The Nature of Ultra-Luminous Compact X-Ray Sources in Nearby Spiral Galaxies

Studies were made of ASCA spectra of seven ultra-luminous compact X-ray sources (ULXs) in nearby spiral galaxies; M33 X-8 (Takano et al. 1994), M81 X-6 (Fabbiano 1988b; Kohmura et al. 1994; Uno 1997), IC 342 Source 1 (Okada et al. 1998), Dwingeloo 1 X-1 (Reynolds et al. 1997), NGC 1313 Source B (Fabbiano & Trinchieri 1987; Petre et al. 1994), and two sources in NGC 4565 (Mizuno et al. 1999). With the 0.5--10 keV luminosities in the range 10^{39-40} ergs/s, they are thought to represent a class of enigmatic X-ray sources often found in spiral galaxies. For some of them, the ASCA data are newly processed, or the published spectra are reanalyzed. For others, the published results are quoted. The ASCA spectra of all these seven sources have been described successfully with so called multi-color disk blackbody (MCD) emission arising from optically-thick standard accretion disks around black holes. Except the case of M33 X-8, the spectra do not exhibit hard tails. For the source luminosities not to exceed the Eddington limits, the black holes are inferred to have rather high masses, up to ~100 solar masses. However, the observed innermost disk temperatures of these objects, Tin = 1.1--1.8 keV, are too high to be compatible with the required high black-hole masses, as long as the standard accretion disks around Schwarzschild black holes are assumed. Similarly high disk temperatures are also observed from two Galactic transients with superluminal motions, GRO 1655-40 and GRS 1915+105. The issue of unusually high disk temperature may be explained by the black hole rotation, which makes the disk get closer to the black hole, and hence hotter.Comment: submitted to ApJ, December 199

The Iron Discrepancy in Elliptical Galaxies after ASCA

We present estimates for the iron content of the stellar and diffused components of elliptical galaxies, as derived respectively from integrated optical spectra and from ASCA X-ray observations. A macroscopic discrepancy emerges between the expected iron abundances in the hot interstellar medium (ISM) and what is indicated by the X-ray observations, especially when allowance is made for the current iron enrichment by Type Ia supernovae. This strong discrepancy, that in some extreme instances may be as large as a factor of $\sim 20$, calls into question our current understanding of supernova enrichment and chemical evolution of galaxies. We discuss several astrophysical implications of the inferred low iron abundances in the ISM, including the chemical evolution of galaxies and cluster of galaxies, the evolution of gas flows in ellipticals, and the heating of the intracluster medium. Some of the consequences appear hard to accept, and in the attempt to avoid some of these difficulties we explore ways of hiding or diluting iron in the ISM of ellipticals. None of these possibilities appears astrophysically plausible, and we alternatively rise the question of the reliability of iron-L line diagonostic tools. Various thin plasma emission models are shown to give iron abundances that may differ significantly, especially at low temperatures (kT \lsim 1 keV). From a collection of ASCA and other X-ray observatory data, it is shown that current thin plasma codes tend to give very low iron abundances when the temperature of the objects is below $\sim 1$ keV. We conclude that -- besides rethinking the chemical evolution of galaxies -- one should also consider the possibility that existing thin plasma models may incorporate inaccurate atomic physics for the ions responsible for the iron-L complex.Comment: 39 pages, TeX file, 5 figures, Accepted for publication in the Ap

OAZ-t/OAZ3 Is Essential for Rigid Connection of Sperm Tails to Heads in Mouse

Polyamines are known to play important roles in the proliferation and differentiation of many types of cells. Although considerable amounts of polyamines are synthesized and stored in the testes, their roles remain unknown. Ornithine decarboxylase antizymes (OAZs) control the intracellular concentration of polyamines in a feedback manner. OAZ1 and OAZ2 are expressed ubiquitously, whereas OAZ-t/OAZ3 is expressed specifically in germline cells during spermiogenesis. OAZ-t reportedly binds to ornithine decarboxylase (ODC) and inactivates ODC activity. In a prior study, polyamines were capable of inducing a frameshift at the frameshift sequence of OAZ-t mRNA, resulting in the translation of OAZ-t. To investigate the physiological role of OAZ-t, we generated OAZ-t–disrupted mutant mice. Homozygous OAZ-t mutant males were infertile, although the polyamine concentrations of epididymides and testes were normal in these mice, and females were fertile. Sperm were successfully recovered from the epididymides of the mutant mice, but the heads and tails of the sperm cells were easily separated in culture medium during incubation. Results indicated that OAZ-t is essential for the formation of a rigid junction between the head and tail during spermatogenesis. The detached tails and heads were alive, and most of the headless tails showed straight forward movement. Although the tailless sperm failed to acrosome-react, the heads were capable of fertilizing eggs via intracytoplasmic sperm injection. OAZ-t likely plays a key role in haploid germ cell differentiation via the local concentration of polyamines