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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 343 records · Page 19

Chemical Modeling of the Capture of Radioiodine Species

Iodine is a common fission product resulting from the transmutation of uranium fuel in nuclear power reactors. The short-lived radioactive isotope, 131 I, with a half-life of around eight days, would be a particular health concern if released into the environment. Capture materials, such as activated carbon, are used routinely in nuclear power plants and medical isotope production facilities to remove this hazard during normal operations to reduce emissions to acceptable levels. Iodine, unlike other common fission products such as noble gases, is challenging because of the wide range of molecular forms and oxidation states (from +VII in IF 7 to -I in iodide) that it displays, which can interconvert both in the gas phase and in the solution phase for example. The work in this project is focused on three computational tasks. In the first, we consider the binding of iodine-containing molecules of varying oxidation states to the major component of activated carbon – pristine graphene-like sheets. The second task focused on molecular binding and possible chemical transformations resulting from the reaction of molecular iodine with chemical functional groups on the edge of the graphene sheets or surface defects in the sheet itself. The final task was associated with radiolytic breakdown of 131 I to 131 Xe in iodine containing molecules and investigated the resulting molecular fragmentation process both in the gas phase and on the graphene-like surface. For each of the tasks, the intent was to learn about the thermodynamics and kinetics of the chemical transformations and use the calculations to provide parameters for input into kinetic models describing these processes for interpretation of experimental data in future work.

07 ISOTOPE AND RADIATION SOURCES↗

Equipment List Comparing Balance of Plant Containing a Heat Pump against a Reference Electricity Generating Plant

Approximately two-thirds of U.S. energy consumption in the industrial and transportation sectors relies on fossil fuels. These sectors require high-quality heat, i.e., thermal energy at very high temperatures, for molecular transformation processes. The Integrated Energy Systems (IES) program aims to assess the economic potential of utilizing nuclear-grade heat from Advanced Reactors (ARs) to meet the high-quality heat demands. By having industrial processes (IPs) supplied with nuclear-generated heat, manufacturers could benefit from more stable and potentially lower energy costs, reducing reliance on volatile fossil fuel markets. The main outcome of the FY24 research was the thermodynamic assessment and gap analysis of steam generation for IP applications. The study completed in June 2024 demonstrated that the required steam temperatures could be achieved by integrating a heat pump into an AR power plant. After identifying the thermal demands of target IPs, multiple balance of plant configurations for the Xe-100 reactor by X-energy, incorporating a heat pump, were analyzed. Their technical feasibilities were assessed, including the design of suitable axial compressors for these applications. Comparative performance analysis showed that thermal efficiency alone is insufficient to evaluate system suitability. To address this, a new indicator (heat factor) was introduced in the report released in September 2024 to quantify the low-quality thermal power needed to produce one unit of high-quality heat for the IP. Results showed that integrating heat pumps into Rankine cycles enables higher steam temperatures, though at the expense of increased thermal energy input. This report builds upon and completes the foundational work previously undertaken. It focuses on the design of two Balance of Plant (BOP) configurations, both based on Rankine energy conversion cycles: “Case 1”, which involves electricity generation only, and “Case 2”, which combines electricity and high-temperature heat generation for industrial use. For each configuration, a comprehensive equipment list was developed, detailing all major components such as turbines, compressors, heat exchangers, pumps, and control systems. These lists will serve as the basis for future comparative cost analyses, with the goal of assessing the number and type of components required to integrate a heat pump into the Rankine cycle and to establish a heat transport system capable of delivering thermal energy from the nuclear plant to an industrial facility. Using the constitutive equations presented in the June 2024 milestone, the operating conditions of all BOP components for both “Case 1” and “Case 2” were evaluated. These parameters—such as temperature, pressure, mass flow rate, and steam quality—served as the basis for calculating the associated thermal and mechanical power flows. The net power required from the heat pump to raise the steam temperature to the target level was also determined. The thermodynamic performance of the configuration was then assessed using the heat factor metric. The key outcome of this analysis is a comparative table that presents the equipment that was used in the “Case 1” and “Case 2” configurations. This study offers a preliminary comparison of the two designs, providing insight into the impact of integrating a heat pump in terms of component requirements and thermal efficiency. This equipment list, together with the evaluated operating conditions, also serves as a foundation for the economic analyses scheduled for the current fiscal year.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The Complete Genome Sequence and Structure of the Oleaginous Rhodococcus opacus Strain PD630 Through Nanopore Technology

Rhodococcus bacterial strains are characterized by wide metabolic versatility and extraordinary resistance to environmental stresses. The high versatility and adaptability of Rhodococcus strains is partly related with large and complex genomes (up to 10.1 Mbp) including high genetic redundancy and the presence of several circular and linear (mega)plasmids, which harbour peculiar catabolic and biosynthetic genes. Within Rhodococcus genus, R. opacus strain PD630 is considered a model oleaginous strain for its ability to produce and accumulate lipids (mostly triacyglycerols, TAGs) using different carbon sources, including low-cost and renewable resources such as lignocellulose. Notably, under specific growth conditions, this strain is capable of accumulating up to 80% of its cellular dry weight in TAGs; that is a rare feature in the prokaryotic and eukaryotic kingdoms. Multi-omic approaches have been applied to obtain system-level information about metabolic and regulatory pathways involved in these biosynthetic processes. Novel molecular tools for genome editing (CRISPR/Cas9 and recombineering) have been recently developed highlighting the possible utilization of R. opacus PD630 as synthetic biology platform for lipids production.

59 BASIC BIOLOGICAL SCIENCES↗

Development of Post-Consumer Textile Waste Degradation Protocol and Related Downstream Transformations: Cooperative Research and Development (Final Report)

Tereform, Inc. (Tereform) is developing molecular deconstruction processes to transform waste materials into chemical building blocks. During the CRADA, Tereform deconstructed real-world post-consumer substrates into chemical monomers, validated their performance on laboratory scales, demonstrated feasibility of the degradation products in downstream transformations, and successfully scaled the reaction to kilogram-scale. These results were used to develop and refine technoeconomic analysis and lifecycle assessments to evaluate the economic feasibility and environmental impacts of the process.

36 MATERIALS SCIENCE↗

GENESPACE tracks regions of interest and gene copy number variation across multiple genomes

The development of multiple chromosome-scale reference genome sequences in many taxonomic groups has yielded a high-resolution view of the patterns and processes of molecular evolution. Nonetheless, leveraging information across multiple genomes remains a significant challenge in nearly all eukaryotic systems. These challenges range from studying the evolution of chromosome structure, to finding candidate genes for quantitative trait loci, to testing hypotheses about speciation and adaptation. Here, we present GENESPACE, which addresses these challenges by integrating conserved gene order and orthology to define the expected physical position of all genes across multiple genomes. We demonstrate this utility by dissecting presence–absence, copy-number, and structural variation at three levels of biological organization: spanning 300 million years of vertebrate sex chromosome evolution, across the diversity of the Poaceae (grass) plant family, and among 26 maize cultivars. The methods to build and visualize syntenic orthology in the GENESPACE R package offer a significant addition to existing gene family and synteny programs, especially in polyploid, outbred, and other complex genomes.

59 BASIC BIOLOGICAL SCIENCES↗

Theory of Intramolecular Relaxation Processes

A master equation is derived to describe internal relaxation processes in molecular systems with a relatively small number of degrees of freedom. It is an inhomogeneous equation, taking into account nondiagonal elements of the coarse‐grained density matrix which prove to be the most relevant ones for the problem under consideration. Various relaxational time scales, inherent in a molecular system, can thus be shown to exist. Relaxation mechanisms and equilibrium states on these time scales can be determined. The general character and different types of solutions of the master equation are investigated. The theory is applied to internal vibrational relaxation and intramolecular rearrangement (isomerization) reactions.

Hofacker, G. Ludwig↗

Inelastic molecular collisions

Collision cross sections direct measurement for determining macroscopic reaction rates in inelastic molecular collision processes in gas dynamics

Utterback, N. G.↗

Precautions with classical absorption

Ultrasonic absorption in gaseous molecular relaxation processes, considering error due to neglecting thermal conductivity effect on frequency dependence

Bass, H. E.↗

Microwave evidence for interstellar molecules.

The present state of microwave observations of interstellar molecules is reviewed, with emphasis on the need for accurate theoretical understanding of their rates and modes of production. Typical abundances of molecular species in dark interstellar clouds are tabulated, and it is shown that in addition to abundance information observations of molecular lines can yield data on the isotope contents, velocities, and temperatures of the clouds in which they exist. Collisions, spontaneous emission, the isotropic radiation, radiation trapping, and higher-frequency radiation are evaluated as factors contributing to molecular excitation processes.

Townes, C. H.↗

Chemisorption kinetics of hydrogen on evaporated iron films

An investigation is conducted of the kinetics of isothermal adsorption-desorption processes involving molecular hydrogen which is chemisorbed onto thin (20 to 50 A) polycrystalline Fe films at temperatures near 300 K. The results of the investigation indicate that chemisorption in the H2-Fe system occurs via a precursor state of molecularly adsorbed hydrogen. Contamination of the surface from unknown impurities in the gas phase is found to affect the number of available adsorption sites and to modify the prefactor for the absolute desorption rate constant for the precursor state.

Shanabarger, M. R.↗

High temperature composite bonding with PPQ

A polyphenylquinoxaline (PPQ) was evaluated as a high temperature adhesive for joining polyimide graphite laminates (PI/Gr) to PI/Gr, PI/Gr to titanium (Ti), and Ti to Ti. The effect of polymer molecular weight, processing parameters, 3-day water boil, and 316 C (600 F) aging in air upon lap shear strengths is presented. Titanium to Ti climbing drum peel and PI/Gr to polyimide glass honeycomb flatwise tensile strengths are also presented.

Hergenrother, P. M.↗

Radiation energy conversion in space; Conference, 3rd, NASA Ames Research Center, Moffett Field, Calif., January 26-28, 1978, Technical Papers

Concepts for space-based conversion of space radiation energy into useful energy for man's needs are developed and supported by studies of costs, material and size requirements, efficiency, and available technology. Besides the more studied solar power satellite system using microwave transmission, a number of alternative space energy concepts are considered. Topics covered include orbiting mirrors for terrestrial energy supply, energy conversion at a lunar polar site, ultralightweight structures for space power, radiatively sustained cesium plasmas for solar electric conversion, solar pumped CW CO2 laser, superelastic laser energy conversion, laser-enhanced dynamics in molecular rate processes, and electron beams in space for energy storage.

Billman, K. W.↗

Molecular collisions in a laser field - Effect of the laser linewidth

The effect of the laser linewidth on molecular collision processes taking place in a laser field is studied, using an approximation scheme that replaces the actual frequency distribution of the field by a finite number of frequencies and weights. The choice of the frequencies and weights is conveniently accomplished by the method of Gaussian quadrature. Close-coupling calculations are performed on model systems, and the results indicate that the neglect of the laser linewidth may be justified in most collision processes in a laser field.

Lee, H. W.↗

Recent theoretical chemical dynamics at Rochester in the paths of Joseph O. Hirschfelder

A review of recent theoretical studies of gas-phase molecular rate processes, including various effects of laser radiation, is presented in the context of the extensive and influential work of Joseph O. Hirschfelder during the past half-century. The topics addressed are energy transfer, chemical reactions, unimolecular dissociation, transition states, and bound-continuum interactions.

George, T. F.↗

Day and night models of the Venus thermosphere

A model atmosphere of Venus for altitudes between 100 and 178 km is presented for the dayside and nightside. Densities of CO2, CO, O, N2, He, and O2 on the dayside, for 0800 and 1600 hours local time, are obtained by simultaneous solution of continuity equations. These equations couple ionospheric and neutral chemistry and the transport processes of molecular and eddy diffusion. Photodissociation and photoionization J coefficients are presented to facilitate the incorporation of chemistry into circulation models of the Venus atmosphere. Midnight densities of CO2 CO, O, N2, He, and N are derived from integration of the continuity equations, subject to specified fluxes. The nightside densities and fluxes are consistent with the observed airglow of NO and O2(1 Delta). The homopause of Venus is located near 133 km on both the dayside and nightside.

Massie, S. T.↗