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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Time-Resolved Optical Pump-Resonant X-ray Probe Spectroscopy of 4-Thiouracil: A Simulation Study

We theoretically monitor the photoinduced ππ* → nπ* internal conversion process in 4-thiouracil (4TU), triggered by an optical pump. The element-sensitive spectroscopic signatures are recorded by a resonant X-ray probe tuned to the sulfur, oxygen, or nitrogen K-edge. We employ high-level electronic structure methods optimized for core-excited electronic structure calculation combined with quantum nuclear wavepacket dynamics computed on two relevant nuclear modes, fully accounting for their quantum nature of nuclear motions. We critically discuss the capabilities and limitations of the resonant technique. For sulfur and nitrogen, we document a pre-edge spectral window free from ground-state background and rich with ππ* and nπ* absorption features. The lowest sulfur K-edge shows strong absorption for both ππ* and nπ*. In the lowest nitrogen K-edge window, we resolve a state-specific fingerprint of the ππ* and an approximate timing of the conical intersection via its depletion. A spectral signature of the nπ* transition, not accessible by UV–vis spectroscopy, is identified. The oxygen K-edge is not sensitive to molecular deformations and gives steady transient absorption features without spectral dynamics. Here, the ππ*/nπ* coherence information is masked by more intense contributions from populations. Altogether, element-specific time-resolved resonant X-ray spectroscopy provides a detailed picture of the electronic excited-state dynamics and therefore a sensitive window into the photophysics of thiobases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A simulation study of test fixture attachment points for vibration test optimization (MEEN 5440 Final Project)

The aerospace industry uses vibration shaker tables to perform component durability testing. These dynamic environments tests often have a hard time replicating the service environment of a component due to a mismatch in the applied force or the boundary condition. Figure 1 shows the desired outcome of a dynamic environments test. The measured responses in a lab test, ideally, should match the measured response of the service environment field test. One way to address the mismatch between field environment and lab environment is with test fixture design. The test fixture attaches the component under test to the shaker table. Single-axis shakers are the industry standard type of shaker table, and, therefore, test fixtures are often rigid in order to minimize cross-axis responses.

42 ENGINEERING↗
DOE OSTI2023

Detailed Simulation Study to Evaluate Future Transportation Decarbonization Potential

This report is the ninth revision of a continuous-improvement, scenario-based study on program benefits from the U.S. Department of Energy’s Vehicle Technologies Office and Hydrogen and Fuel Cell Technologies Office. With each revision of the study, Argonne made improvements to the assumptions, control strategies at the vehicle level, methodologies, powertrain selections, and the number of vehicles analyzed. In 2019, separate reports were published on the analysis of light-duty and heavy-duty vehicles. From 2020 onwards, summaries for both light- and heavy-duty vehicles are consolidated into one report. The first part of the report covers the impact of technology progress on light-duty vehicles and the second part of the report is devoted to the technology progress assumed for medium- and heavy-duty trucks.

33 ADVANCED PROPULSION SYSTEMS↗