Narrating Migrant Workplace Experiences: Social Remittances to Poland as Knowledge of British Workplace Cultures

This paper explores how the workplace experience of migrants helps to determine part of the social remittances they can make to their country of origin. The social remittance literature needs to pay more attention to work as an element of the migrant experience. Focus is placed on public internet forums related to newspapers in Poland because these are a very open means of communicating experience to the public sphere. To support the analysis, UK census and other data are used to show both the breadth of work done by Polish migrants in the UK and some of its peculiarities. This is then followed with a more qualitative analysis of selected comments from the gazeta.pl website. The complexities of both the range of migrants’ ideas about their work and also the analysis of internet-based newspaper com-ment sites as a form of public communication are shown

Accurate ionic forces and geometry optimization in linear-scaling density-functional theory with local orbitals

Linear scaling methods for density-functional theory (DFT) simulations are formulated in terms of localized orbitals in real space, rather than the delocalized eigenstates of conventional approaches. In local-orbital methods, relative to conventional DFT, desirable properties can be lost to some extent, such as the translational invariance of the total energy of a system with respect to small displacements and the smoothness of the potential-energy surface. This has repercussions for calculating accurate ionic forces and geometries. In this work we present results from onetep, our linear scaling method based on localized orbitals in real space. The use of psinc functions for the underlying basis set and on-the-fly optimization of the localized orbitals results in smooth potential-energy surfaces that are consistent with ionic forces calculated using the Hellmann-Feynman theorem. This enables accurate geometry optimization to be performed. Results for surface reconstructions in silicon are presented, along with three example systems demonstrating the performance of a quasi-Newton geometry optimization algorithm: an organic zwitterion, a point defect in an ionic crystal, and a semiconductor nanostructure.<br/

The Determinants of a Healthy Board: A Tool for Extension Professionals

Board governance is a critical factor that affects the development of people and businesses in rural America. In this article, we explain how the health of a board can be measured based on a set of performance indicators from the board governance literature. Extension professionals can use these determinants as a tool for evaluating a board\u27s health before engaging in more specialized educational programming assistance

Point-Focus Concentration Compact Telescoping Array: EESP Option 1 Phase Final Report for Public Release

Orbital ATK, in partnership with Mark ONeill LLC (MOLLC) and SolAero Technologies Corp., has developed a novel solar array platform, PFC-CTA, which provides a significant advance in performance and cost reduction compared to all currently available space solar systems. PFC refers to the Point Focus Concentration of light provided by MOLLCs thin, flat Fresnel optics. These lenses focus light to a point of approximately 100 times the intensity of the ambient light, onto a solar cell of approximately 1/25th the size of the lens. CTA stands for Compact Telescoping Array1, which is the solar array blanket structural platform originally devised by NASA and currently being advanced by Orbital ATK and partners under NASA and AFRL funding to a projected TRL 5+ by late-2018. The NASA Game Changing Development Extreme Environment Solar Power (EESP) Option 1 Phase study has enabled Orbital ATK to generate and refine component designs, perform component level and system performance analyses, and test prototype hardware of the key elements of PFC-CTA, and increased the TRL of PFC-specific technology elements to TRL ~5. Key performance metrics currently projected are as follows: Scalability from 300 kW per wing (AM0); Specific Power > 250 W/kg (BoL, AM0); Stowage Efficiency > 60 kW/m3; 5:1 margin on pointing tolerance vs. capability; >50% launched cost savings; Wide range of operability between Venus and Saturn by active and/or passive thermal management

Workshop report. Linear-Scaling Ab Initio Calculations: Applications and Future Directions

The study of properties and of processes in materials, frequently hinges upon understanding phenomena which originate at the atomic level. In such cases the accurate description of the interactions between large numbers of atoms is critical and in turn requires the accurate description of the electrons which play a crucial role in the bonding of atoms into molecules, surfaces and solids. This can only be achieved by solving the equations of quantum mechanics. These equations are too complicated to solve exactly; however their solutions can be approximated by computational techniques. The most accurate ? but also most computationally demanding ? are the “ab initio” techniques which do not use any empirical adjustable parameters. Amongst them, the Density Functional Theory (DFT) formulation of quantum mechanics stands out as an excellent compromise between accuracy and computational efficiency. However, the applicability of ab initio techniques is severely limited by poor scaling: the computational effort needed to perform an ab initio calculation increases with (at least) the third power of the number of atoms, N. This cubic-scaling bottleneck limits the number of atoms we can study to a few hundred at most, even on parallel supercomputers. To overcome this length-scale limitation, a number of researchers worldwide have been pioneering the development of a novel class of ab initio methods with linear-scaling or “Order N” (O(N)) computational cost which nevertheless retain the same high level of accuracy as the conventional approaches. While physically motivated, such methods have proved particularly hard to develop as they introduce highly non-trivial localisation constraints. Nevertheless, many major obstacles have been overcome and a number of O(N) methods (SIESTA, CONQUEST, ONETEP, etc.) for ground state DFT calculations on systems with a gap (e.g. molecules, semiconductors and insulators) are now available and have reached a state of maturity that allows them to be used to study ”real” materials. The particular focus of this workshop is therefore to look forward to what can be achieved in the next few years. Our aim is twofold: (1) As O(N) methods are currently extending the applicability of DFT calculations to problems involving biomolecules and nanostructures they are leading to completely new levels of understanding of these systems. This CECAM meeting will give us the opportunity to make an appraisal of such large-scale simulations and their potential to connect more directly to experiments. (2) We also want to examine the options for extending linear-scaling to problems that cannot be treated by ground-state DFT but require other, more complex approaches. These include methods for treating metallic systems, excited states and wavefunction-based theories for including electronic correlation. Finding ways to transform these methods to linear-scaling cost, and hence extent their applicability to the nano-scale, is the next big challenge that the community of developers of large-scale electronic structure methods is beginning to face. We hope that this workshop will stimulate these major new O(N) methodological developments by bringing together the leading groups in the development of O(N) DFT methods with the leading groups in the development of metal and excited-state or wavefunction-based methods. Strong emphasis during the workshop will be given to discussion in order to promote the exchange of ideas between different communities (Physics, Chemistry, Materials Science, Biochemistry) which are all interested in large-scale applications with ab initio accuracy but are approaching them from different perspectives

Toward ab initio optical spectroscopy of the Fenna-Matthews-Olson complex

We present progress toward a first-principles parametrization of the Hamiltonian of the Fenna–Matthews–Olson pigment–protein complex, a molecule that has become key to understanding the role of quantum dynamics in photosynthetic exciton energy transfer. To this end, we have performed fully quantum mechanical calculations on each of the seven bacteriochlorophyll pigments that make up the complex, including a significant proportion of their protein environment (more than 2000 atoms), using linear-scaling density functional theory exploiting a recent development for the computation of excited states. Local pigment transition energies and interpigment coupling between optical transitions have been calculated and are in good agreement with the literature consensus. Comparisons between simulated and experimental optical spectra point toward future work that may help to elucidate important design principles in these nanoscale devices

Electrostatic considerations affecting the calculated HOMO-LUMO gap in protein molecules.

A detailed study of energy differences between the highest occupied and lowest unoccupied molecular orbitals (HOMO-LUMO gaps) in protein systems and water clusters is presented. Recent work questioning the applicability of Kohn-Sham density-functional theory to proteins and large water clusters (E. Rudberg, J. Phys.: Condens. Mat. 2012, 24, 072202) has demonstrated vanishing HOMO-LUMO gaps for these systems, which is generally attributed to the treatment of exchange in the functional used. The present work shows that the vanishing gap is, in fact, an electrostatic artefact of the method used to prepare the system. Practical solutions for ensuring the gap is maintained when the system size is increased are demonstrated. This work has important implications for the use of large-scale density-functional theory in biomolecular systems, particularly in the simulation of photoemission, optical absorption and electronic transport, all of which depend critically on differences between energies of molecular orbitals.Comment: 13 pages, 4 figure

CCAT-prime: a novel telescope for submillimeter astronomy

The CCAT-prime telescope is a 6-meter aperture, crossed-Dragone telescope, designed for millimeter and sub-millimeter wavelength observations. It will be located at an altitude of 5600 meters, just below the summit of Cerro Chajnantor in the high Atacama region of Chile. The telescope's unobscured optics deliver a field of view of almost 8 degrees over a large, flat focal plane, enabling it to accommodate current and future instrumentation fielding >100k diffraction-limited beams for wavelengths less than a millimeter. The mount is a novel design with the aluminum-tiled mirrors nested inside the telescope structure. The elevation housing has an integrated shutter that can enclose the mirrors, protecting them from inclement weather. The telescope is designed to co-host multiple instruments over its nominal 15 year lifetime. It will be operated remotely, requiring minimum maintenance and on-site activities due to the harsh working conditions on the mountain. The design utilizes nickel-iron alloy (Invar) and carbon-fiber-reinforced polymer (CFRP) materials in the mirror support structure, achieving a relatively temperature-insensitive mount. We discuss requirements, specifications, critical design elements, and the expected performance of the CCAT-prime telescope. The telescope is being built by CCAT Observatory, Inc., a corporation formed by an international partnership of universities. More information about CCAT and the CCAT-prime telescope can be found at www.ccatobservatory.org.Comment: Event: SPIE Astronomical Telescope + Instrumentation, 2018, Austin, Texas, USA; Proceedings Volume 10700, Ground-based and Airborne Telescopes VII; 107005X (2018