Gaussian-basis many-body theory calculations of positron binding to negative ions and atoms

Positron binding energies in the negative ions H$^-$, F$^-$, Cl$^-$ and Br$^-$, and the closed-shell atoms Be, Mg, Zn and Ca, are calculated via a many-body theory approach developed by the authors [J.~Hofierka \emph{et al.} Nature~{\bf 608}, 688-693 (2022)]. Specifically, the Dyson equation is solved using a Gaussian basis, with the positron self energy constructed from three infinite classes of diagrams that account for the strong positron-atom correlations that characterise the system including the positron-induced polarization of the electron cloud, screening of the electron-positron Coulomb interaction, virtual-positronium formation and electron-hole and positron-hole interactions. For the negative ions, binding occurs at the static level of theory, and the correlations are found to enhance the binding energies by $\sim$25--50\%, yielding results in good agreement with ($\lesssim$5\% larger than) calculations from a number of distinct methods. For the atoms, for which binding is enabled exclusively by correlations, most notably virtual-Ps formation, the binding energies are found to be of similar order to (but $\sim$10--30\% larger than) relativistic coupled-cluster calculations of [C. Harabati, V.~A.~Dzuba and V.~V. Flambaum, Phys.~Rev.~A {\bf 89}, 022517 (2014)], both of which are systematically larger than stochastic variational calculations of [M.~Bromley and J.~Mitroy, Phys.~Rev.~A {\bf 73} (2005); J.~Mitroy, J.~At.~Mol.~Sci.~{\bf 1}, 275 (2010)]

Many-Body Theory Calculations of Positron Scattering and Annihilation in H2_2, N2_2 and CH4_4

The recently developed ab initio many-body theory of positron molecule binding [J. Hofierka et al., Nature, 606, 688 (2022)] is combined with the shifted pseudostates method [A. R. Swann and G. F. Gribakin, Phys. Rev. A 101, 022702 (2020)] to calculate positron scattering and annihilation rates on small molecules, namely H$_2$, N$_2$ and CH$_4$. The important effects of positron-molecule correlations are delineated. The method provides uniformly good results for annihilation rates on all the targets, from the simplest (H$_2$, for which only a sole previous calculation agrees with experiment), to larger targets, where high-quality calculations have not been available.Comment: Main text and Supplemental Materia

MNS1 variant associated with situs inversus and male infertility

Ciliopathy disorders due to abnormalities of motile cilia encompass a range of autosomal recessive conditions typified by chronic otosinopulmonary disease, infertility, situs abnormalities and hydrocephalus. Using a combination of genome-wide SNP mapping and whole exome sequencing (WES), we investigated the genetic cause of a form of situs inversus (SI) and male infertility present in multiple individuals in an extended Amish family, assuming that an autosomal recessive founder variant was responsible. This identified a single shared (2.34 Mb) region of autozygosity on chromosome 15q21.3 as the likely disease locus, in which we identified a single candidate biallelic frameshift variant in MNS1 [NM_018365.2: c.407_410del; p.(Glu136Glyfs*16)]. Genotyping of multiple family members identified randomisation of the laterality defects in other homozygous individuals, with all wild type or MNS1 c.407_410del heterozygous carriers being unaffected, consistent with an autosomal recessive mode of inheritance. This study identifies an MNS1 variant as a cause of laterality defects and male infertility in humans, mirroring findings in Mns1-deficient mice which also display male infertility and randomisation of left-right asymmetry of internal organs, confirming a crucial role for MNS1 in nodal cilia and sperm flagella formation and function.This article is freely available via Open Access. Click on the Publisher URL to access the full-text

Crowd-Sourced Radio Science at Marshall Space Flight Center

August 21, 2017 provided a unique opportunity to investigate the effects of the total solar eclipse on high frequency (HF) radio propagation and ionospheric variability. In Marshall Space Flight Center's partnership with the US Space and Rocket Center (USSRC) and Austin Peay State University (APSU), we engaged citizen scientists and students in an investigation of the effects of an eclipse on the mid-latitude ionosphere. Activities included fieldwork and station-based data collection of HF Amateur Radio frequency bands and VLF radio waves before, during, and after the eclipse to build a continuous record of changing propagation conditions as the moon's shadow marched across the United States. Post-eclipse radio propagation analysis provided insights into ionospheric variability due to the eclipse

Calculation of antihydrogen formation via antiproton scattering with excited positronium

Detailed presentation of results shown in the ealrier Phys. Rev. Lett. (114, 183201, (2015)).Shows all partial cross sections for antihydrogen formation in collisions of antiprotons with positronium in quantum states n = 1-3

Geometry-dependent electrostatics near contact lines

Long-ranged electrostatic interactions in electrolytes modify their contact angles on charged substrates in a scale and geometry dependent manner. For angles measured at scales smaller than the typical Debye screening length, the wetting geometry near the contact line must be explicitly considered. Using variational and asymptotic methods, we derive new transcendental equations for the contact angle that depend on the electrostatic potential only at the three phase contact line. Analytic expressions are found in certain limits and compared with predictions for contact angles measured with lower resolution. An estimate for electrostatic contributions to {\it line} tension is also given.Comment: 3 .eps figures, 5p

The Different Structures of the Two Classes of Starless Cores

We describe a model for the thermal and dynamical equilibrium of starless cores that includes the radiative transfer of the gas and dust and simple CO chemistry. The model shows that the structure and behavior of the cores is significantly different depending on whether the central density is either above or below about 10^5 cm-3. This density is significant as the critical density for gas cooling by gas-dust collisions and also as the critical density for dynamical stability, given the typical properties of the starless cores. The starless cores thus divide into two classes that we refer to as thermally super-critical and thermally sub-critical.This two-class distinction allows an improved interpretation of the different observational data of starless cores within a single model.Comment: ApJ in pres

ATS materials support

The technology based portion of the Advanced Turbine System Program (ATS) contains several subelements which address generic technology issues for land-base gas turbine systems. One subelement is the Materials/Manufacturing Technology Program which is coordinated by DOE-Oak Ridge Operations and Oak Ridge National laboratory (ORNL) for the Department of Energy. The work in this subelement is being performed predominantly by industry with assistance from national laboratories and universities. Projects in this subelement are aimed toward hastening the incorporation of new materials and components in gas turbines. The materials manufacturing subelement was developed with input from gas turbine manufacturers, material suppliers, government laboratories and universities. Work is currently ongoing on thermal barrier coatings (TBCs), the scale-up of single-crystal airfoil manufacturing technologies, materials characterization and technology information exchange. Westinghouse Power Generation and Pratt and Whitney each have material programs to develop dependable TBCs that enable increased turbine inlet temperatures while maintaining airfoil substrate temperatures at levels to meet the ATS life goals. Howmet and PCC Airfoils each have projects to extend the capability of single-crystal complex-cored airfoil technology to larger sizes so that higher turbine inlet temperatures can be attained in land-based turbines in a cost-effective manner. Materials characterization tasks are ongoing on TBCs in support of the industrial projects. In addition, a project on long-term testing of ceramics and ceramic-matrix composites for gas turbines is being conducted in support of programs at Solar Turbines, Allison Engines, and Westinghouse Power Generation

Effects of the 2017 Solar Eclipse on HF Radio Propagation and the D-Region Ionosphere: Citizen Science Investigation

August 21, 2017 provided a unique opportunity to investigate the effects of the total solar eclipse on high frequency (HF) radio propagation and ionospheric variability. In Marshall Space Flight Center's partnership with the US Space and Rocket Center (USSRC) and Austin Peay State University (APSU), we engaged students and citizen scientists in an investigation of the eclipse effects on the mid-latitude ionosphere. Activities included implementing and configuring software, monitoring the HF Amateur Radio frequency bands and collecting radio transmission data on days before, the day of, and days after the eclipse to build a continuous record of changing propagation conditions as the moon's shadow marched across the United States. Post-eclipse radio propagation analysis provided insights into ionospheric variability due to the eclipse. We report on results, interpretation, and conclusions of these investigations