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Structure-dependent vibrational dynamics of Mg(BH4)2 polymorphs probed with neutron vibrational spectroscopy and first-principles calculations

Physical Chemistry Chemical Physics

Dimitrievska, Mirjana; White, James L.; Zhou, Wei; Stavila, Vitalie S.; Klebanoff, Leonard E.; Udovic, Terrence J.

The structure-dependent vibrational properties of different Mg(BH4)2 polymorphs (α, β, γ, and δ phases) were investigated with a combination of neutron vibrational spectroscopy (NVS) measurements and density functional theory (DFT) calculations, with emphasis placed on the effects of the local structure and orientation of the BH4- anions. DFT simulations closely match the neutron vibrational spectra. The main bands in the low-energy region (20-80 meV) are associated with the BH4- librational modes. The features in the intermediate energy region (80-120 meV) are attributed to overtones and combination bands arising from the lower-energy modes. The features in the high-energy region (120-200 meV) correspond to the BH4- symmetric and asymmetric bending vibrations, of which four peaks located at 140, 142, 160, and 172 meV are especially intense. There are noticeable intensity distribution variations in the vibrational bands for different polymorphs. This is explained by the differences in the spatial distribution of BH4- anions within various structures. An example of the possible identification of products after the hydrogenation of MgB2, using NVS measurements, is presented. These results provide fundamental insights of benefit to researchers currently studying these promising hydrogen-storage materials.

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Protection of extreme ultraviolet lithography masks. II. Showerhead flow mitigation of nanoscale particulate contamination

Journal of Vacuum Science and Technology B: Nanotechnology and Microelectronics

Klebanoff, Leonard E.; Torczynski, J.R.; Geller, Anthony S.; Gallis, Michael A.; Rader, Daniel J.; Chilese, Frank C.; Garcia, Rudy F.; Delgado, Gil

An analysis is presented of a method to protect the reticle (mask) in an extreme ultraviolet (EUV) mask inspection tool using a showerhead plenum to provide a continuous flow of clean gas over the surface of a reticle. The reticle is suspended in an inverted fashion (face down) within a stage/holder that moves back and forth over the showerhead plenum as the reticle is inspected. It is essential that no particles of 10-nm diameter or larger be deposited on the reticle during inspection. Particles can originate from multiple sources in the system, and mask protection from each source is explicitly analyzed. The showerhead plate has an internal plenum with a solid conical wall isolating the aperture. The upper and lower surfaces of the plate are thin flat sheets of porous-metal material. These porous sheets form the top and bottom showerheads that supply the region between the showerhead plate and the reticle and the region between the conical aperture and the Optics Zone box with continuous flows of clean gas. The model studies show that the top showerhead provides robust reticle protection from particles of 10-nm diameter or larger originating from the Reticle Zone and from plenum surfaces contaminated by exposure to the Reticle Zone. Protection is achieved with negligible effect on EUV transmission. The bottom showerhead efficiently protects the reticle from nanoscale particles originating from the Optics Zone. With similar mass flow rates from the two showerheads, this system provides efficient protection even when a significant overpressure exists between the Optics Zone and the Reticle Zone. Performance is insensitive to the fraction of incident particles that sticks to walls, the accommodation coefficient, the aperture geometry, and the gas pressure. The showerheads also protect the aperture (and therefore the Optics Zone) during mask loading and unloading. Commercially available porous-metal media have properties suitable for these showerheads at the required flow rates. The benefits of the approach compared to a conceptual EUV pellicle are described.

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Proton exchange membrane fuel cells for electrical power generation on-board commercial airplanes

Applied Energy

Klebanoff, Leonard E.; Munoz-Ramos, Karina M.; Akhil, Abbas A.; Curgus, Dita B.; Schenkman, Benjamin L.

Deployed on a commercial airplane, proton exchange membrane (PEM) fuel cells may offer emissions reductions, thermal efficiency gains, and enable locating the power near the point of use. This work seeks to understand whether on-board fuel cell systems are technically feasible, and, if so, if they could offer a performance advantage for the airplane when using today's off-the-shelf technology. We also examine the effects of the fuel cell system on airplane performance with (1) different electrical loads, (2) different locations on the airplane, and (3) expected advances in fuel cell and hydrogen storage technologies.Through hardware analysis and thermodynamic simulation, we found that an additional fuel cell system on a commercial airplane is technically feasible using current technology. Although applied to a Boeing 787-type airplane, the method presented is applicable to other airframes as well. Recovery and on-board use of the heat and water that is generated by the fuel cell is an important method to increase the benefit of such a system. The best performance is achieved when the fuel cell is coupled to a load that utilizes the full output of the fuel cell for the entire flight. The effects of location are small and location may be better determined by other considerations such as safety and modularity.Although the PEM fuel cell generates power more efficiently than the gas turbine generators currently used, when considering the effect of the fuel cell system on the airplane's overall performance we found that an overall performance penalty (i.e., the airplane will burn more jet fuel) would result if using current technology for the fuel cell and hydrogen storage. However, we found that with expected developments in PEM fuel cell and hydrogen storage technology, PEM fuel cell systems can provide an overall benefit to airplane performance. © 2012 Elsevier Ltd.

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Final report for the DOE Metal Hydride Center of Excellence

Klebanoff, Leonard E.

This report summarizes the R&D activities within the U.S. Department of Energy Metal Hydride Center of Excellence (MHCoE) from March 2005 to June 2010. The purpose of the MHCoE has been to conduct highly collaborative and multi-disciplinary applied R&D to develop new reversible hydrogen storage materials that meet or exceed DOE 2010 and 2015 system goals for hydrogen storage materials. The MHCoE combines three broad areas: mechanisms and modeling (which provide a theoretically driven basis for pursuing new materials), materials development (in which new materials are synthesized and characterized) and system design and engineering (which allow these new materials to be realized as practical automotive hydrogen storage systems). This Final Report summarizes the organization and execution of the 5-year research program to develop practical hydrogen storage materials for light duty vehicles. Major results from the MHCoE are summarized, along with suggestions for future research areas.

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Low-temperature fuel cell systems for commercial airplane auxiliary power

Pratt, Joseph W.; Klebanoff, Leonard E.; Curgus, Dita B.; Akhil, Abbas A.

This presentation briefly describes the ongoing study of fuel cell systems on-board a commercial airplane. Sandia's current project is focused on Proton Exchange Membrane (PEM) fuel cells applied to specific on-board electrical power needs. They are trying to understand how having a fuel cell on an airplane would affect overall performance. The fuel required to accomplish a mission is used to quantify the performance. Our analysis shows the differences between the base airplane and the airplane with the fuel cell. There are many ways of designing a system, depending on what you do with the waste heat. A system that requires ram air cooling has a large mass penalty due to increased drag. The bottom-line impact can be expressed as additional fuel required to complete the mission. Early results suggest PEM fuel cells can be used on airplanes with manageable performance impact if heat is rejected properly. For PEMs on aircraft, we are continuing to perform: (1) thermodynamic analysis (investigate configurations); (2) integrated electrical design (with dynamic modeling of the micro grid); (3) hardware assessment (performance, weight, and volume); and (4) galley and peaker application.

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Results 51–75 of 101
Results 51–75 of 101