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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Effect of Basic Residue on the Kinetics of Peptide Fragmentation Examined Using Surface-Induced Dissociation Combined with Resonant Ejection

In this work, resonant ejection coupled with surface-induced dissociation (SID) in a Fourier transform ion cyclotron resonance mass spectrometer is used to examine fragmentation kinetics of two singly protonated hexapeptides, RYGGFL and KYGGFL, containing the basic arginine residue and less basic lysine residue at the N-terminus. The kinetics of individual reaction channels at different collision energies are probed by applying a short ejection pulse (1 ms) in resonance with the cyclotron frequency of a selected fragment ion and varying the delay time between ion-surface collision and resonant ejection while keeping total reaction delay time constant. Rice-Ramsperger-Kassel-Marcus (RRKM) modeling of the experimental data provides accurate threshold energies and activation entropies of individual reaction channels. Substitution of arginine with less basic lysine has a pronounced effect on the observed fragmentation kinetics of several pathways, including the b2 ion formation, but has little or no effect on formation of the b5+H2O fragment ion. The combination of resonant ejection SID, time- and collision energy-resolved SID, and RRKM modeling of both types of experimental data provides a detailed mechanistic understanding of the primary dissociation pathways of complex gaseous ions.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2016

Hot zero power reactor calculations using the Insilico code

In this paper we describe the reactor physics simulation capabilities of the Insilico code. A description of the various capabilities of the code is provided, including detailed discussion of the geometry, meshing, cross section processing, and neutron transport options. Numerical results demonstrate that Insilico using an SP{sub N} solver with pin-homogenized cross section generation is capable of delivering highly accurate full-core simulation of various pressurized water reactor problems. Comparison to both Monte Carlo calculations and measured plant data is provided.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Challenges and opportunities for using formate to store, transport, and use hydrogen

In this perspective article, the synthesis and thermodynamic properties of aqueous solutions of formate salts (FS, HCO 2 - ) are described in relationship to the concept of H 2 carriers. The physiochemical properties of solid FS, aqueous formate solutions, and aqueous bicarbonate solutions set the limitations for storage capacity, deliverable capacity, and usable H 2 capacity of these H 2 carriers, respectively. These parameters will help in the design of systems that use H 2 carriers for storage and transport of H 2 for fuel cell power applications. We suggest FS, as well as admixtures with formic acid (FA, H 2 CO 2 ), have potential to address the goals outlined in the U.S. Department of Energy’s H2@scale initiative to store in chemical bonds a significant quantity of energy (hundreds of megawatts) obtained from large scale renewable resources.

08 HYDROGEN↗
DOE OSTI2015

Interfacial study of the role of SiO 2 on Si anodes using electrochemical quartz crystal microbalance

One of the challenges associated with silicon as an anode material for Li-ion batteries is the formation of an unstable solid-electrolyte interphase which, forms continuously while consuming lithium and other components; and consequently contributes to irreversible capacity. To elucidate some of the details of the formation and subsequent dissolution of species formed during lithiation of silicon anodes we have produced thin film silicon electrodes and analyzed them during lithiation and delithiation using an electrochemical quartz microbalance with in-situ dissipation (EQCM-D). Measurements were conducted on electrodes with silicon alone and silicon with a silicon dioxide coating, and in EC:EMC and EC:DEC:FEC based electrolytes. Mass loss during lithiation was observed in both solvents systems when an oxide layer was present on the surface of the electrode. Solid state and solution NMR measurements indicate that the formation and dissolution of Li2O is the most likely cause of mass loss.

Anodes↗
DOE OSTI2016

Characterisation of a complex thin walled structure fabricated by selective laser melting using a ferritic oxide dispersion strengthened steel

Oxide dispersion strengthened (ODS) alloys exhibit superior mechanical and physical properties due to the presence of nanoscopic Y(Al, Ti) oxide precipitates, but their manufacturing process is complex. The present study is aimed at further investigation of the application of an alternative, Additive Manufacturing (AM) technique, Selective Laser Melting (SLM), to the production of consolidated ODS alloy components. Mechanically alloyed PM2000 (ODS-FeCrAl) powders have been consolidated and a fine dispersion of Y-containing precipitates were observed in an as built thin-walled component, but these particles were typically poly-crystalline and contained a variety of elements including O, Al, Ti, Cr and Fe. Application of post-build heat treatments resulted in the modification of particle structures and compositions; in the annealed condition most precipitates were transformed to single crystal yttrium aluminium oxides. During the annealing treatment, precipitate distributions homogenised and localised variations in number density were diminished. The resulting volume fractions of those precipitates were 25–40% lower than have been reported in conventionally processed PM2000, which was attributed to Y-rich slag-like surface features and inclusions formed during SLM. - Highlights: • A wall structure was grown from ODS steel powder using selective laser melting. • A fine dispersion of nano-precipitates was apparent in as-build material. • Precipitates were multi-phased containing several elements, e.g. O, Ti, Al, Fe, Cr, Y. • Post-build annealing changed those into typically single-crystalline Y–Al–O. • The anneal also reduced and stabilised the volume fraction of precipitates to ~ 0.006.

36 MATERIALS SCIENCE↗