Space shuttle auxiliary propulsion system design study: Program plan

Development of design and programmatic data for space shuttle reaction control systems and integrated reaction control system/orbit maneuvering system

Space shuttle low pressure auxiliary propulsion subsystem definition Summary report

Low pressure oxygen/hydrogen auxiliary propulsion subsystem for space shuttl

Space shuttle high pressure auxiliary propulsion subsystem definition study Summary report

Space shuttle high pressure hydrogen oxygen auxiliary propulsion subsystem conceptual and design study summar

Band gaps in pseudopotential self-consistent GW calculations

For materials which are incorrectly predicted by density functional theory to be metallic, an iterative procedure must be adopted in order to perform GW calculations. In this paper we test two iterative schemes based on the quasi-particle and pseudopotential approximations for a number of inorganic semiconductors whose electronic structures are well known from experiment. Iterating just the quasi-particle energies yields a systematic, but modest overestimate of the band gaps, confirming conclusions drawn earlier for CaB_6 and YH_3. Iterating the quasi-particle wave functions as well gives rise to an imbalance between the Hartree and Fock potentials and results in bandgaps in far poorer agreement with experiment.Comment: 5 pages, 2 figures, 2 table

Polarity-induced oxygen vacancies at LaAlO3|SrTiO3 interfaces

Using first-principles density functional theory calculations, we find a strong position and thickness dependence of the formation energy of oxygen vacancies in LaAlO3|SrTiO3 (LAO|STO) multilayers and interpret this with an analytical capacitor model. Oxygen vacancies are preferentially formed at p-type SrO|AlO2 rather than at n-type LaO|TiO2 interfaces; the excess electrons introduced by the oxygen vacancies reduce their energy by moving to the n-type interface. This asymmetric behavior makes an important contribution to the conducting (insulating) nature of n-type (p-type) interfaces while providing a natural explanation for the failure to detect evidence for the polar catastrophe in the form of core level shifts

Electronic structure induced reconstruction and magnetic ordering at the LaAlO3∣_3|SrTiO3_3 interface

Using local density approximation (LDA) calculations we predict GdFeO$_3$-like rotation of TiO$_6$ octahedra at the $n$-type interface between LaAlO$_3$ and SrTiO$_3$. The narrowing of the Ti $d$ bandwidth which results means that for very modest values of $U$, LDA$+U$ calculations predict charge and spin ordering at the interface. Recent experimental evidence for magnetic interface ordering may be understood in terms of the close proximity of an antiferromagnetic insulating ground state to a ferromagnetic metallic excited state

Test of Fermi Gas Model and Plane-Wave Impulse Approximation Against Electron-Nucleus Scattering Data

A widely used relativistic Fermi gas model and plane-wave impulse approximation are tested against electron-nucleus scattering data. Inclusive quasi-elastic cross section are calculated and compared with high-precision data for C, O, and Ca. A dependence of agreement between calculated cross section and data on a momentum transfer is shown. Results for the C(nu_mu,mu) reaction are presented and compared with experimental data of the LSND collaboration.Comment: 10 pages, 8 figure

The role of built environment energy efficiency in a sustainable UK energy economy

Energy efficiency in the built environment can make significant contributions to a sustainable energy economy. In order to achieve this, greater public awareness of the importance of energy efficiency is required. In the short term, new efficient domestic appliances, building technologies, legislation quantifying building plant performance, and improved building regulations to include installed plant will be required. Continuing these improvements in the longer term is likely to see the adoption of small-scale renewable technologies embedded in the building fabric. Internet-based energy services will see low-cost building energy management and control delivered to the mass market in order that plant can be operated and maintained at optimum performance levels and energy savings quantified. There are many technology options for improved energy performance of the building fabric and energy systems and it's not yet clear which will prove to be the most economic. Therefore, flexibility is needed in legislation and energy-efficiency initiatives

First-principles study of the interaction and charge transfer between graphene and metals

Measuring the transport of electrons through a graphene sheet necessarily involves contacting it with metal electrodes. We study the adsorption of graphene on metal substrates using first-principles calculations at the level of density functional theory. The bonding of graphene to Al, Ag, Cu, Au and Pt(111) surfaces is so weak that its unique "ultrarelativistic" electronic structure is preserved. The interaction does, however, lead to a charge transfer that shifts the Fermi level by up to 0.5 eV with respect to the conical points. The crossover from p-type to n-type doping occurs for a metal with a work function ~5.4 eV, a value much larger than the work function of free-standing graphene, 4.5 eV. We develop a simple analytical model that describes the Fermi level shift in graphene in terms of the metal substrate work function. Graphene interacts with and binds more strongly to Co, Ni, Pd and Ti. This chemisorption involves hybridization between graphene $p_z$-states and metal d-states that opens a band gap in graphene. The graphene work function is as a result reduced considerably. In a current-in-plane device geometry this should lead to n-type doping of graphene.Comment: 12 pages, 9 figure