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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,801 records · Page 100
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Geological Disposal Concept Selection Aligned with a Voluntarism Process - 13538

The UK's Radioactive Waste Management Directorate (RWMD) is currently at a generic stage in its implementation programme. The UK site selection process is a voluntarist process and, as yet, no communities have decided to participate. RWMD has set out a process to describe how a geological disposal concept would be selected for the range of higher activity wastes in the UK inventory, including major steps and decision making points, aligned with the stages of the UK site selection process. A platform of information is being developed on geological disposal concepts at various stages of implementation internationally and, in order to build on international experience, RWMD is developing its approach to technology transfer. The UK has a range of different types of higher activity wastes with different characteristics; therefore a range of geological disposal concepts may be needed. In addition to identifying key aspects for considering the compatibility of different engineered barrier systems for different types of waste, RWMD is developing a methodology to determine minimum separation distances between disposal modules in a co-located geological disposal facility. RWMD's approach to geological disposal concept selection is intended to be flexible, recognising the long term nature of the project. RWMD is also committed to keeping alternative radioactive waste management options under review; an approach has been developed and periodic reviews of alternative options will be published. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Offset-aligned three-dimensional integrated circuit

A three-dimensional integrated circuit includes a first die structure having a first geometry. The first die structure includes a first region that operates with a first power density and a second region that operates with a second power density. The first power density is less than the second power density. The three-dimensional integrated circuit includes a second die structure having a second geometry. A stacked portion of the second die structure is aligned with the first region. The three-dimensional integrated circuit includes an additional die structure stacked with the first die structure and the second die structure. The additional die structure has the first geometry or the second geometry.

Wilkerson, Brett P.↗
DOE OSTI2018

Self-Assembled Ordered Three-Phase Au-BaTiO 3 -ZnO Vertically Aligned Nanocomposites Achieved by a Templating Method

Complex multiphase nanocomposite designs present enormous opportunities for developing next-generation integrated photonic and electronic devices. Here, a unique three-phase nanostructure combining a ferroelectric BaTiO 3 , a wide-bandgap semiconductor of ZnO, and a plasmonic metal of Au toward multifunctionalities is demonstrated. By a novel two-step templated growth, a highly ordered Au–BaTiO 3 –ZnO nanocomposite in a unique “nanoman”-like form, i.e., self-assembled ZnO nanopillars and Au nanopillars in a BaTiO 3 matrix, is realized, and is very different from the random three-phase ones with randomly arranged Au nanoparticles and ZnO nanopillars in the BaTiO 3 matrix. The ordered three-phase “nanoman”-like structure provides unique functionalities such as obvious hyperbolic dispersion in the visible and near-infrared regime enabled by the highly anisotropic nanostructures compared to other random structures. Such a self-assembled and ordered three-phase nanocomposite is obtained through a combination of vapor–liquid–solid (VLS) and two-phase epitaxy growth mechanisms. In this study, we open up new possibilities in the design, growth, and application of multiphase structures and provides a new approach to engineer the ordering of complex nanocomposite systems with unprecedented control over electron–light–matter interactions at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Core Levels, Band Alignments, and Valence-Band States in CuSbS 2 for Solar Cell Applications

The earth-abundant material CuSbS 2 (CAS) has shown good optical properties as a photovoltaic solar absorber material, but has seen relatively poor solar cell performance. To investigate the reason for this anomaly, the core levels of the constituent elements, surface contaminants, ionization potential, and valence-band spectra are studied by X-ray photoemission spectroscopy. The ionization potential and electron affinity for this material (4.98 and 3.43 eV) are lower than those for other common absorbers, including CuInxGa (1-x) Se 2 (CIGS). Experimentally corroborated density functional theory (DFT) calculations show that the valence band maximum is raised by the lone pair electrons from the antimony cations contributing additional states when compared with indium or gallium cations in CIGS. The resulting conduction band misalignment with CdS is a reason for the poor performance of cells incorporating a CAS/CdS heterojunction, supporting the idea that using a cell design analogous to CIGS is unhelpful. These findings underline the critical importance of considering the electronic structure when selecting cell architectures that optimize open-circuit voltages and cell efficiencies.

14 SOLAR ENERGY↗
DOE OSTI2012

Energy band alignment of InGaZnO{sub 4}/Si heterojunction determined by x-ray photoelectron spectroscopy

X-ray photoelectron spectroscopy was utilized to determine the valence band offset ({Delta}E{sub V}) of the InGaZnO{sub 4} (IGZO)/Si heterojunction. The IGZO films were grown on Si (100) using radio frequency magnetron sputtering. A value of {Delta}E{sub V} = 2.53 eV was obtained by using In 3d{sub 5/2}, Ga 2p{sub 3/2} core energy levels as references. Taking into consideration the experimental band gap of 3.20 eV of the IGZO, this would result in a conduction band offset {Delta}E{sub C} = 0.45 eV in this heterostructure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Spatially resolved band alignments at Au-hexadecanethiol monolayer-GaAs(001) interfaces by ballistic electron emission microscopy

We study structural and electronic inhomogeneities in Metal—Organic Molecular monoLayer (OML)—semiconductor interfaces at the sub-nanometer scale by means of in situ Ballistic Electron Emission Microscopy (BEEM). BEEM imaging of Au/1-hexadecanethiols/GaAs(001) heterostructures reveals the evolution of pinholes density as a function of the thickness of the metallic top-contact. Using BEEM in spectroscopic mode in non-short-circuited areas, local electronic fingerprints (barrier height values and corresponding spectral weights) reveal a low-energy tunneling regime through the insulating organic monolayer. At higher energies, BEEM evidences new conduction channels, associated with hot-electron injection in the empty molecular orbitals of the OML. Corresponding band diagrams at buried interfaces can be thus locally described. The energy position of GaAs conduction band minimum in the heterostructure is observed to evolve as a function of the thickness of the deposited metal, and coherently with size-dependent electrostatic effects under the molecular patches. Such BEEM analysis provides a quantitative diagnosis on metallic top-contact formation on organic molecular monolayer and appears as a relevant characterization for its optimization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Comparative study on the charge-trapping properties of TaAlO and ZrAlO high-k composites with designed band alignment

The charge-trapping memory (CTM) structures Pt/Al{sub 2}O{sub 3}/TaAlO/Al{sub 2}O{sub 3}/p-Si and Pt/Al{sub 2}O{sub 3}/ZrAlO/Al{sub 2}O{sub 3}/p-Si were fabricated by using rf-sputtering and atomic layer deposition techniques, in which the potentials at the bottom of the conduction band (PBCB) of high-k composites TaAlO and ZrAlO were specially designed. With a lower PBCB difference between TaAlO and p-Si than that between ZrAlO and p-Si, TaAlO CTM device shows a better charge-trapping performance. A density of trapped charges 2.88 × 10{sup 13}/cm{sup 2} at an applied voltage of ±7 V was obtained for TaAlO CTM device, and it could keep about 60% of initially trapped charges after 10 years. It was suggested that the PBCB difference between high-k composite and p-Si dominates their charge-trapping behaviors.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Pulse-fluence-specified optimal control simulation with applications to molecular orientation and spin-isomer-selective molecular alignment

We propose an optimal control simulation with specified pulse fluence and amplitude. The simulation is applied to the orientation control of CO molecules to examine the optimal combination of THz and laser pulses, and to discriminate nuclear-spin isomers of {sup 14}N{sub 2} as spatially anisotropic distributions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Quasi-particle electronic band structure and alignment of the V-VI-VII semiconductors SbSI, SbSBr, and SbSeI for solar cells

The ternary V-VI-VII chalcohalides consist of one cation and two anions. Trivalent antimony—with a distinctive 5s{sup 2} electronic configuration—can be combined with a chalcogen (e.g., S or Se) and halide (e.g., Br or I) to produce photoactive ferroelectric semiconductors with similarities to the Pb halide perovskites. We report—from relativistic quasi-particle self-consistent GW theory—that these materials have a multi-valley electronic structure with several electron and hole basins close to the band extrema. We predict ionisation potentials of 5.3–5.8 eV from first-principles for the three materials, and assess electrical contacts that will be suitable for achieving photovoltaic action from these unconventional compounds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

ALIGNMENT OF THE SCALAR GRADIENT IN EVOLVING MAGNETIC FIELDS

We conduct simulations of turbulent mixing in the presence of a magnetic field, grown by the small-scale dynamo. We show that the scalar gradient field, ∇C, which must be large for diffusion to operate, is strongly biased perpendicular to the magnetic field, B. This is true both early on, when the magnetic field is negligible, and at late times, when the field is strong enough to back react on the flow. This occurs because ∇C increases within the plane of a compressive motion, but B increases perpendicular to it. At late times, the magnetic field resists compression, making it harder for scalar gradients to grow and likely slowing mixing.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Leggett-type nonlocal realistic inequalities without any constraint on the geometrical alignment of measurement settings

Leggett-type nonlocal realistic inequalities that have been derived to date are all contingent upon suitable geometrical constraints to be strictly satisfied by the spatial arrangement of the relevant measurement settings. This undesirable restriction is removed in the present work by deriving appropriate forms of nonlocal realistic inequalities, one of which involves the fewest number of settings compared to all such inequalities derived earlier. The way such inequalities would provide a logically firmer basis for a clearer testing of a Leggett-type nonlocal realistic model vis-a-vis quantum mechanics is explained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Cavity dynamics and particle alignment in the wake of a supersonic projectile penetrating a dusty plasma

The penetration of a projectile into a strongly coupled dusty plasma was studied in a radio-frequency discharge under microgravity conditions. A supersonic projectile produces an elongated dust-free cavity in its wake. The dynamics of the cavity is analyzed and compared with Langevin dynamics simulations. Besides a three-dimensional Mach cone structure, the simulation shows that the cavity dynamics can be subdivided into three phases: An opening phase with fixed time scale, a closing phase, whose duration is affected by the projectile speed and, finally, a phase of particle realignment in the target cloud, which persists for a long time after the closure of the cavity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

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