First-Principles Thermodynamics of Coherent Interfaces in Samarium-Doped Ceria Nanoscale Superlattices

Nanoscale superlattices of samarium-doped ceria layers with varying doping levels have been recently proposed as a novel fuel cell electrolyte. We calculate the equilibrium composition profile across the coherent {100} interfaces present in this system using lattice-gas Monte Carlo simulations with long-range interactions determined from electrostatics and short-range interactions obtained from ab initio calculations. These simulations reveal the formation of a diffuse, nonmonotonic, and surprisingly wide (11 nm at 400 K) interface composition profile, despite the absence of space charge regions

Quantum Decoherence in a D-Foam Background

Within the general framework of Liouville string theory, we construct a model for quantum D-brane fluctuations in the space-time background through which light closed-string states propagate. The model is based on monopole and vortex defects on the world sheet, which have been discussed previously in a treatment of 1+1-dimensional black-hole fluctuations in the space-time background, and makes use of a T-duality transformation to relate formulations with Neumann and Dirichlet boundary conditions. In accordance with previous general arguments, we derive an open quantum-mechanical description of this D-brane foam which embodies momentum and energy conservation and small mean energy fluctuations. Quantum decoherence effects appear at a rate consistent with previous estimates.Comment: 16 pages, Latex, two eps figures include

Effect of field of view and monocular viewing on angular size judgements in an outdoor scene

Observers typically overestimate the angular size of distant objects. Significantly, overestimations are greater in outdoor settings than in aircraft visual-scene simulators. The effect of field of view and monocular and binocular viewing conditions on angular size estimation in an outdoor field was examined. Subjects adjusted the size of a variable triangle to match the angular size of a standard triangle set at three greater distances. Goggles were used to vary the field of view from 11.5 deg to 90 deg for both monocular and binocular viewing. In addition, an unrestricted monocular and binocular viewing condition was used. It is concluded that neither restricted fields of view similar to those present in visual simulators nor the restriction of monocular viewing causes a significant loss in depth perception in outdoor settings. Thus, neither factor should significantly affect the depth realism of visual simulators

Recent advances at NASA in calculating the electronic spectra of diatomic molecules

Advanced entry vehicles, such as the proposed Aero-assisted Orbital Transfer Vehicle, provide new and challenging problems for spectroscopy. Large portions of the flow field about such vehicles will be characterized by chemical and thermal nonequilibrium. Only by considering the actual overlap of the atomic and rotational lines emitted by the species present can the impact of radiative transport within the flow field be assessed correctly. To help make such an assessment, a new computer program is described that can generate high-resolution, line-by-line spectra for any spin-allowed transitions in diatomic molecules. The program includes the matrix elements for the rotational energy and distortion to the fourth order; the spin-orbit, spin-spin, and spin-rotation interactions to first order; and the lambda splitting by a perturbation calculation. An overview of the Computational Chemistry Branch at Ames Research Center is also presented

A supersymmetric D-brane Model of Space-Time Foam

We present a supersymmetric model of space-time foam with two stacks of eight D8-branes with equal string tensions, separated by a single bulk dimension containing D0-brane particles that represent quantum fluctuations in the space-time foam. The ground state configuration with static D-branes has zero vacuum energy. However, gravitons and other closed-string states propagating through the bulk may interact with the D0-particles, causing them to recoil and the vacuum energy to become non zero. This provides a possible origin of dark energy. Recoil also distorts the background metric felt by energetic massless string states, which travel at less than the usual (low-energy) velocity of light. On the other hand, the propagation of chiral matter anchored on the D8 branes is not affected by such space-time foam effects.Comment: 33 pages, latex, five figure

First-principles thermodynamic modeling of lanthanum chromate perovskites

Tendencies toward local atomic ordering in (A,A′)(B,B′)O_(3−δ) mixed composition perovskites are modeled to explore their influence on thermodynamic, transport, and electronic properties. In particular, dopants and defects within lanthanum chromate perovskites are studied under various simulated redox environments. (La_(1−x),Sr_x)(Cr_(1−y),Fe_y)O_(3−δ) (LSCF) and (La_(1−x),Sr_x)(Cr_(1−y),Ru_y)O_(3−δ) (LSCR) are modeled using a cluster expansion statistical thermodynamics method built upon a density functional theory database of structural energies. The cluster expansions are utilized in lattice Monte Carlo simulations to compute the ordering of Sr and Fe(Ru) dopant and oxygen vacancies (Vac). Reduction processes are modeled via the introduction of oxygen vacancies, effectively forcing excess electronic charge onto remaining atoms. LSCR shows increasingly extended Ru-Vac associates and short-range Ru-Ru and Ru-Vac interactions upon reduction; LSCF shows long-range Fe-Fe and Fe-Vac interaction ordering, inhibiting mobility. First principles density functional calculations suggest that Ru-Vac associates significantly decrease the activation energy of Ru-Cr swaps in reduced LSCR. These results are discussed in view of experimentally observed extrusion of metallic Ru from LSCR nanoparticles under reducing conditions at elevated temperature

First-principles thermodynamic modeling of atomic ordering in yttria-stabilized zirconia

Yttria-stabilized zirconia YSZ is modeled using a cluster expansion statistical thermodynamics method built upon a density-functional theory database. The reliability of cluster expansions in predicting atomic ordering is explored by comparing with the extensive experimental database. The cluster expansion of YSZ is utilized in lattice Monte Carlo simulations to compute the ordering of dopant and oxygen vacancies as a function of concentration. Cation dopants show a strong tendency to aggregate and vacate significantly sized domains below 9 mol % Y_2O_3, which is likely important for YSZ aging processes in ionic conductivity. Evolution of vibrational and underlying electronic properties as a function of Y doping is explored

Do Three Dimensions tell us Anything about a Theory of Everything?

It has been conjectured that four-dimensional N=8 supergravity may provide a suitable framework for a `Theory of Everything', if its composite SU(8) gauge fields become dynamical. We point out that supersymmetric three-dimensional coset field theories motivated by lattice models provide toy laboratories for aspects of this conjecture. They feature dynamical composite supermultiplets made of constituent holons and spinons. We show how these models may be extended to include N=1 and N=2 supersymmetry, enabling dynamical conjectures to be verified more rigorously. We point out some special features of these three-dimensional models, and mention open questions about their relevance to the dynamics of N=8 supergravity.Comment: 20 pages Latex, 2 eps figure

Brany Liouville Inflation

We present a specific model for cosmological inflation driven by the Liouville field in a non-critical supersymmetric string framework, in which the departure from criticality is due to open strings stretched between the two moving Type-II 5-branes. We use WMAP and other data on fluctuations in the cosmic microwave background to fix parameters of the model, such as the relative separation and velocity of the 5-branes, respecting also the constraints imposed by data on light propagation from distant gamma-ray bursters. The model also suggests a small, relaxing component in the present vacuum energy that may accommodate the breaking of supersymmetry.Comment: 23 pages LATEX, two eps figures incorporated; version accepted for publication in NJ