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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Diversifying hierarchical ionic assembly by docking cations to anions as salt bridges

Here, we expand the diversity of building blocks available for ionic assembly by introducing tertiary (3°) ammonium cations into anion complexes. We use proton transfer between 3° amines and organo-phosphoric acids to generate H-bonding cations (R 3 NH + ) and anions (RHPO 4 – ) that co-assemble with cyanostar macrocycles into assemblies with 2:2:2 stoichiometry. At the heart is a supramolecular dimer where phosphate anions form salt bridges by H-bonding with cations. Unlike conventional 4° ammonium cations, 3,000 commercial amines provide diversity for high-throughput screening of 72 combinations (9 nitrogen bases and 8 acids), producing 13 privileged partners for quantitative assembly. Yields depend on the solvent and sterics of salt bridge formation. Ten more nitrogen bases connect to fluorophores (pyrene), photocatalysts (quinoline), drugs (Cipralex, Zytiga), and ionic liquids (imidazole). The synthesis and examination of 82 new salts exemplify how acid-base chemistry can open a pipeline to a diversity of building blocks for exploring hierarchical ionic assembly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

SARS-CoV2 Docking Dataset for MLMol Language Model (50M)

This is a processed molecular dataset from this https://doi.ccs.ornl.gov/ui/doi/348 adding up to 50M molecules for the training and 486K molecules for the validation. Instructions on how to use/run/train this dataset can be found here: https://code.ornl.gov/candle/mlmol

Tsaris, Aristeidis↗
NASA NTRS1971

Preliminary design of a shuttle docking and cargo handling system

Work performed prior to concept selection, concept evaluation, and the preliminary design are summarized. The initial work included selection of the requirements and guidelines used to formulate concepts; analysis to determine detailed requirements for reach, velocity, torque, etc.; formulation of the alternative concepts; the evaluation and ranking of the concepts; and the selection of a concept. The man-in-the-loop simulation performed with a six degree of freedom moving base simulator and a three degree of freedom manipulator arm are described. The analysis and tradeoffs of those design parameters which are the key to the preliminary design are described. Estimates for a future development program are presented, including a schedule and manpower breakdown and cost estimate. The system design parameters, with a weight and power breakdown are summarized.

Source record↗
NASA NTRS1972

Radiation environment for rendezvous and docking with nuclear rockets

Radiation environment data for the NERVA engine are provided which may be utilized in estimating radiation exposures associated with various space maneuvers. Spatial distributions of neutron and gamma tissue kerma rates produced during full thrust operation of the engine are presented. Final rendezvous with an orbiting space station would be achieved subsequent to full thrust operation during a period of 10 or more hours duration in which impulse is delivered by the propellant used for removal of decay heat. Consequently, post operation radiation levels are of prime importance in estimating space station exposures. Maps of gamma kerma rates around the engine are provided for decay times of 4 and 24 hours after a representative firing. Typical decay curves illustrating the dependence of post operation kerma rates on decay time and operating history are included. Examples of the kerma distributions around the engine which result from integration over specific exposure periods are shown.

Rogers, D. R.↗
NASA NTRS1972

A shuttle and space station manipulator system for assembly, docking, maintenance cargo handling and spacecraft retrieval (preliminary design). Volume 1: Management summary

A preliminary design is established for a general purpose manipulator system which can be used interchangeably on the shuttle and station and can be transferred back and forth between them. Control of the manipulator is accomplished by hard wiring from internal control stations in the shuttle or station. A variety of shuttle and station manipulator operations are considered including servicing the Large Space Telescope; however, emphasis is placed on unloading modules from the shuttle and assembling the space station. Simulation studies on foveal stereoscopic viewing and manipulator supervisory computer control have been accomplished to investigate the feasibility of their use in the manipulator system. The basic manipulator system consists of a single 18.3 m long, 7 degree of freedom (DOF), electrically acutated main boom with an auxiliary 3 DOF electrically actuated, extendible 18.3 m maximum length, lighting, and viewing boom. A 3 DOF orientor assembly is located at the tip of the viewing boom to provide camera pan, tilt, and roll.

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