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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Self-assembly of designed precursors: A route to crystallographically aligned new materials with controlled nanoarchitecture

Modulated elemental reactants is a method by which new and complex intergrowth compounds can be synthesized by the self-assembly of designed precursors prepared by physical vapor deposition. Careful calibration of the composition and thickness of the precursors ensures the formation of the desired product by precise control of local composition and diffusion lengths. Superstructures of increasing complexity can be realized using binary and ternary systems as starting points. The synthesis of systems based on three different binary compounds, either alloyed together or separated into distinct layers, expands the number of possible superstructures that can be formed using this technique, but provides analytical challenges. The synthesis of [(SnSe){sub 1.15}]{sub 1}([Ta{sub x}V{sub 1−x}]Se{sub 2}){sub 1}[(SnSe){sub 1.15}]{sub 1}([V{sub y}Ta{sub 1−y}]Se{sub 2}){sub 1} compound is used to illustrate the preparation of precursors and the challenges in both measuring and limiting the interdiffusion of layers during self-assembly. Systematic changes in the electrical properties of (SnSe){sub 1+δ}(Ta{sub x}V{sub 1−x})Se{sub 2} alloys are observed as x is varied. The electrical resistivity of [(SnSe){sub 1.15}]{sub 1}([Ta{sub x}V{sub 1−x}]Se{sub 2}){sub 1}[(SnSe){sub 1.15}]{sub 1}([V{sub y}Ta{sub 1−y}]Se{sub 2}){sub 1} can be modeled as the two constituent layers in parallel.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Validation of Methods for Computational Catalyst Design: Geometries, Structures, and Energies of Neutral and Charged Silver Clusters

We report a systematic study of small silver clusters, Agn, Agn+, and Agn–, n = 1–7. We studied all possible isomers of clusters with n = 5–7. We tested 42 exchange–correlation functionals, and we assess these functionals for their accuracy in three respects: geometries (quantitative prediction of internuclear distances), structures (the nature of the lowest-energy structure, for example, whether it is planar or nonplanar), and energies. We find that the ingredients of exchange–correlation functionals are indicators of their success in predicting geometries and structures: local exchange–correlation functionals are generally better than hybrid functionals for geometries; functionals depending on kinetic energy density are the best for predicting the lowest-energy isomer correctly, especially for predicting two-dimensional to three-dimenstional transitions correctly. The accuracy for energies is less sensitive to the ingredient list. Our findings could be useful for guiding the selection of methods for computational catalyst design.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2014

Helium refrigeration considerations for cryomodule design

Many of the present day accelerators are based on superconducting radio frequency (SRF) cavities, packaged in cryo-modules (CM), which depend on helium refrigeration at sub-atmospheric pressures, nominally 2 K. These specialized helium refrigeration systems are quite cost intensive to produce and operate. Particularly as there is typically no work extraction below the 4.5-K supply, it is important that the exergy loss between this temperature level and the CM load temperature(s) be minimized by the process configuration choices. This paper will present, compare and discuss several possible helium distribution process arrangements to support the CM loads.

43 PARTICLE ACCELERATORS↗
DOE OSTI2011

A Second-Order Achromat Design Based on FODO Cell

Two dipole doglegs are widely used to translate the beam axis horizontally or vertically. Quadrupoles are placed between the two consecutive dipoles to match first order dispersion and provide betatron focusing. Similarly a four dipole chicane is usually employed to form a bypass region, where the beam axis is transversely shifted first, then translated back to the original axis. In order to generate an isochronous section, quadrupoles are again needed to tune the first order transfer matrix element R{sub 56} equaling zero. Usually sextupoles are needed to correct second order dispersion in the bending plane, for both the dogleg optics and the chicane (with quad) optics. In this paper, an alternative optics design is introduced, which is based on a simple FODO cell and does not need sextupoles assistance to form a second-order achromat. It may provide a similar function of either a dogleg or a bypass, by using 2 or 4 of such combined supercells.

43 PARTICLE ACCELERATORS↗