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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Full-Scale Assembly 30 cm Drop Test

Can Spent Nuclear Fuel withstand the shocks and vibrations experienced during normal conditions of transport? This question was the motivation for the multi-modal transportation test (MMTT) (Summer 2017), 1/3-scale cask 30 cm drop test (December 2018), and full-scale assembly 30 cm drop tests (June 2019). The full-scale ENSA ENUN 32P cask with 3 surrogate 17x17 PWR assemblies was used in the MMTT. The 1/3-scale cask was a mockup of this cask. The 30 cm drop tests provided the accelerations on the 1/3-scale dummy assemblies. These data were used to design full-scale assembly drop tests with the goal to quantify the strain fuel rods experience inside a cask when dropped from a height of 30 cm. The drop tests were first done with the dummy and then with the surrogate assembly. This paper presents the preliminary results of the tests.

Transportation↗
DOE OSTI2019

Soil characteristics and land-use drive bacterial community assembly patterns

ABSTRACT Land-use and soil characteristics drive variation in soil community composition, but the influences of these factors on dispersal and community assembly at regional scale remain poorly characterized. Land-use remains a consistent driver of soil community composition even when exhibiting patchy spatial distribution at regional scale. In addition, disturbed and early successional soils often exhibit stochastic community assembly patterns. These observations suggest local community composition is influenced by dispersal and assembly from regional species pools. We examined bacterial community assembly within agricultural cropland, old-field, and forested sites across 10 landscapes in the region around Ithaca, New York (USA). We found that the Sloan neutral model explained assembly well at regional scale (R2 = 0.763), but that both soil pH and land-use imposed selection that shaped community composition. We show that homogeneous selection was a dominant assembly process with respect to both soil pH and land-use regime, but that these two factors interacted in their effects on bacterial community assembly. We conclude that bacterial community assembly at a regional scale is driven by dispersal from regional species pools and local selection on the basis of soil pH and other soil characteristics that vary with land-use.

Microbiology↗
DOE OSTI2021

Critical Assemblies: Dragon Burst Assembly and Solution Assemblies

This work reviews the historical literature associated with the Dragon experiment and water boiler reactors operated at Los Alamos during the Manhattan Project. Frisch’s invited talk given at the American Nuclear Society’s Fast Burst Reactor Conference held at the University of New Mexico in Albuquerque, New Mexico, in 1969 is quoted. From the literature review, basic models for the Dragon experiment and for a water boiler–type assembly (aqueous homogeneous reactor) were created that can be used for conducting multiphysics simulations for criticality excursion studies. This methodology utilizes the coupled neutronic-hydrodynamic method to perform a time-dependent dynamic simulation of a criticality excursion. MCNP® was utilized to calculate important nuclear kinetic parameters that were incorporated into the models. Simulation results compare reasonably well with historic data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Closing the Gap Between Modeling and Experiments in the Self-assembly of Biomolecules at Interfaces and in Solution

Molecular self-assembly is a powerful tool in materials design, wherein non-covalent interactions like electrostatic, hydrophobic, hydrogen bonding, and van der Waals can be exploited to produce supramolecular nanostructures that are functional and highly tunable. Biomolecules are attractive building blocks, as they are biocompatible, biodegradable and adopt a wide array of higher order structures. Moreover, naturally occurring protein systems display a manifold of structures and interactions that can be replicated in synthetic biomolecules. In this perspective, we highlight advances in multiscale simulation techniques across broad spatiotemporal scales that can aid in characterizing self-assembly of hybrid and hierarchical bionanomaterial systems, with an emphasis on physics-based simulation approaches currently employed to study biomolecules at mineral interfaces. The power of these approaches is highlighted across a few recent areas where molecular simulations have advanced our understanding of self-assembly spanning peptides to protein self-assembly. Looking forward, we discuss how in the near future emerging methods in statistical and machine learning will advance this research field in all areas from expanding the capabilities of physics-based simulation methods to enabling new analyses of high throughput experiments. These advances will pave the way for understanding the molecular recognition patterns in systems that are dictated by self-assembly - biomineralizing peptides, hierarchical peptoids, and large protein assemblies, and will aid in the development of a new synthesis science for achieving precise molecular control in materials design

Sampath, Janani↗
DOE OSTI2020

Self-assembling Shell Proteins PduA and PduJ have Essential and Redundant Roles in Bacterial Microcompartment Assembly

Protein self-assembly is a common and essential biological phenomenon, and bacterial microcompartments present a promising model system to study this process. Bacterial microcompartments are large, protein-based organelles which natively carry out processes important for carbon fixation in cyanobacteria and the survival of enteric bacteria. These structures are increasingly popular with biological engineers due to their potential utility as nanobioreactors or drug delivery vehicles. However, the limited understanding of the assembly mechanism of these bacterial microcompartments hinders efforts to repurpose them for non-native functions. Here, we comprehensively investigate proteins involved in the assembly of the 1,2-propanediol utilization bacterial microcompartment from Salmonella enterica serovar Typhimurium LT2, one of the most widely studied microcompartment systems. We first demonstrate that two shell proteins, PduA and PduJ, have a high propensity for self-assembly upon overexpression, and we provide a novel method for self-assembly quantification. Using genomic knock-outs and knock-ins, we systematically show that these two proteins play an essential and redundant role in bacterial microcompartment assembly that cannot be compensated by other shell proteins. At least one of the two proteins PduA and PduJ must be present for the bacterial microcompartment shell to assemble. We also demonstrate that assembly-deficient variants of these proteins are unable to rescue microcompartment formation, highlighting the importance of this assembly property. Our work provides insight into the assembly mechanism of these bacterial organelles and will aid downstream engineering efforts.

1,2-propanediol utilization MCP↗
DOE OSTI2023

Assembling PNIPAM-Capped Gold Nanoparticles in Aqueous Solutions

Employing small-angle X-ray scattering (SAXS), we explore the conditions under which assembly of gold nanoparticles (AuNPs) grafted with the thermosensitive polymer poly(N-isopropylacrylamide) (PNIPAM) emerges. We find that short-range order assembly emerges by combining the addition of electrolytes or polyelectrolytes with raising the temperature of the suspensions above the lower-critical solution temperature (LCST) of PNIPAM. Our results show that the longer the PNIPAM chain is, the better organization in the assembled clusters. Interestingly, without added electrolytes, there is no evidence of AuNPs assembly as a function of temperature, although untethered PNIPAM is known to undergo a coil-to-globule transition above its LCST. This study demonstrates another approach to assembling potential thermosensitive nanostructures for devices by leveraging the unique properties of PNIPAM.

Nayak, Binay P↗
DOE OSTI2019

How to optimally constrain galaxy assembly bias: supplement projected correlation functions with count-in-cells statistics

Most models for the statistical connection between galaxies and their haloes ignore the possibility that galaxy properties may be correlated with halo properties other than halo mass, a phenomenon known as galaxy assembly bias. And yet, it is known that such correlations can lead to systematic errors in the interpretation of survey data that are analysed using traditional halo occupation models. At present, the degree to which galaxy assembly bias may be present in the real Universe, and the best strategies for constraining it remain uncertain. We study the ability of several observables to constrain galaxy assembly bias from redshift survey data using the decorated halo occupation distribution (dHOD), an empirical model of the galaxy-halo connection that incorporates assembly bias. We cover an expansive set of observables, including the projected two-point correlation function w p ( r p ), the galaxy-galaxy lensing signal ΔΣ( r p ), the void probability function VPF( r ), the distributions of counts-in-cylinders P(NCIC), and counts-in-annuli P(NCIA), and the distribution of the ratio of counts in cylinders of different sizes P ( N 2 /N 5 ). We find that despite the frequent use of the combination w p ( r p ) + ΔΣ( r p ) in interpreting galaxy data, the count statistics, P ( N CIC ) and P ( N CIA ), are generally more efficient in constraining galaxy assembly bias when combined with w p ( r p ). Constraints based upon w p ( r p ) and ΔΣ(rp) share common degeneracy directions in the parameter space, while combinations of r p w p ( r p ) with the count statistics are more complementary. Therefore, we strongly suggest that count statistics should be used to complement the canonical observables in future studies of the galaxy-halo connection.

galaxies: evolution↗
DOE OSTI2025

Test Results of the LQXFA/B02 and LQXFA/B03 Cryo-Assemblies for the High Luminosity LHC Upgrade

Here, the US High-Luminosity LHC Accelerator Upgrade Project (AUP) is responsible for delivering cryo-assemblies for the Q1/Q3 quadrupole optical components of the High Luminosity LHC upgrade at CERN. Total of 10 cryo-assemblies containing two Nb3Sn quadrupole magnets per cold mass will be delivered within this program. After the successful test of the first pre-series cryo-assembly in 2023, two more cryo-assemblies were tested at Fermilab's horizontal test facility. Production overview and the test results of the LQXFA/B02 and LQXFA/B03 cryo-assemblies are summarized in this paper. After the first test, to increase the capability of the horizontal test facility, various improvements have been made. These improvements are also described in this paper.

Chlachidze, Guram [Fermi National Accelerator Labo↗
DOE OSTI2021

INBOUND APPOINTEE PUBLICATION Importance of Substrate-Particle Repulsion for Protein-Templated Assembly of Metal Nanoparticles

We study the protein-directed assembly of colloidal gold nanoparticles on de novo designed protein nanofiber templates. Using sequential assembly on glass substrates, we attach of positively-charged gold nanoparticles to protein nanofibers engineered to have a high density of negatively-charged surface residues. Using a combination of electron and optical microscopy, we measure the density of particle attachment and characterize binding specificity. By varying nanoparticle size and pH of the solution, we explore the importance of charge-dependent particle-fiber and particle-substrate interactions. We find an inverse correlation between particle size and attachment density to the protein nanofibers, attributed to the balance between size-dependent electrostatic particle-fiber attraction and particle-substrate repulsion. We show pH-dependent particle attachment density and binding specificity in relation to the protonation fraction of each assembly layer. Finally, we employ hyperspectral scattering microscopy to draw conclusions about particle density and interparticle spacings of optically-observable particle assemblies.

Guye, Kathryn N.↗
DOE OSTI2026

Self‐Limiting Polymerization‐Induced Crystallization‐Driven Self‐Assembly (SL‐PI‐CDSA) Enables Templated Synthesis of Chiral Plasmonic, Hybrid 2D Hexagonal Assemblies

Examples of self-regulating synthetic self-assembly are relatively few, with most known chemical systems relying on kinetic rather than thermodynamic control. Herein, we demonstrate the rapid generation (t ≤ 5 min) of size-tunable ultralow dispersity (Ð ≤ 1.01) 2D hexagonal nanosheets governed by self-limiting self-assembly (SLSA). Self-assembly in natural systems occurs with exquisite control of structure, function, and dimension. We demonstrate that key aspects of biological assembly can be rationally applied toward the development of bottom-up approaches for the construction of chiral nanomaterials. To this end, self-limiting polymerization-induced crystallization-driven self-assembly (SL-PI-CDSA) of modular and templating aryl isocyanide (AIC) monomers yields functional 2D assemblies permitting post-polymerization/assembly modifications. Detailed study of the internal and external structure of the hexagonal nanosheets reveals topological defects which offer mechanistic insights into both their assembly and subsequent utilization. Specifically, these features enable fabrication of chiral hybrid organic–inorganic nanomaterials incorporating chiral plasmonic metal nanoparticles (MNPs). Our results suggest that the synergistic interplay of template-driven confinement and hierarchical chirality induce symmetry breaking of in situ-generated gold MNPs. We anticipate that the platform presented will facilitate fabrication of new hybrid, chiral organic–inorganic nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Gripper Test Assembly Status of Fabrication and Assembly Report – FY2023

The Gripper Test Assembly (GrTA) is an experimental test article designed for use at the Mechanisms Engineering Test Loop (METL) at Argonne National Laboratory (ANL). The GrTA will test mechanical components intended for use in compact in-vessel fuel handling machines (FHM) for sodium cooled fast reactors (SFR). The GrTA will test radial and thrust ball bearings, radial and thrust roller bearings, ball screws and nuts, spline shafts and ball nuts, radial spur gears, and universal joints submerged in liquid sodium at high temperatures (250°C-650°C). These components will be tested in a prototypic, full-scale gripper head and under prototypic SFR fuel handling loads. The design of the GrTA was completed in FY2022 and has progressed into fabrication and initial assembly. All custom manufactured components have been fabricated and delivered to ANL following inspection. All custom gears have been fabricated and delivered to ANL. Bearings, ball screws, and spline shafts have been purchased to allow for initial assembly in air, and sodium compatible versions have either been purchased or are in design at appropriate manufacturers. The drive motor systems that operate the various functions of the GrTA have been purchased and delivered to ANL. Instrumentation and control hardware has been purchased and delivered to ANL as well. All sodium facing components of the GrTA have been assembled and show proper fit. The three main functions of the GrTA are to raise or lower a gripper head under prototypic fuel handling loads, rotate the gripper head while carrying a fuel handling load, and extend or retract gripper jaws that lock a fuel assembly to the gripper head. All three functions have been demonstrated in air, while under no load. The GrTA project will move forward next fiscal year by completing the initial assembly, incorporating the drive system and I&C, and preparing the assembly for introduction to sodium.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Intra- and Intermolecular Self-Assembly of a 20-nm-Wide Supramolecular Hexagonal Grid.

For the past three decades, the coordination-driven self-assembly of three-dimensional structures has undergone rapid progress; however, parallel efforts to create large discrete two-dimensional architectures-as opposed to polymers-have met with limited success. The synthesis of metallo-supramolecular systems with well-defined shapes and sizes in the range of 10-100 nm remains challenging. Here we report the construction of a series of giant supramolecular hexagonal grids, with diameters on the order of 20 nm and molecular weights greater than 65 kDa, through a combination of intra- and intermolecular metal-mediated self-assembly steps. The hexagonal intermediates and the resulting self-assembled grid architectures were imaged at submolecular resolution by scanning tunnelling microscopy. Characterization (including by scanning tunnelling spectroscopy) enabled the unambiguous atomic-scale determination of fourteen hexagonal grid isomers.

Zhang, Zhe↗
DOE OSTI2021

Self-sorting in supramolecular assemblies

Supramolecular self-assembly enables living organisms to form highly functional hierarchical structures with individual components self-organized across multiple length scales. This has inspired work on multicomponent supramolecular materials to understand factors behind co-assembly versus self-sorting of molecules. We report here on a supramolecular system comprised of negatively charged peptide amphiphile (PA) molecules, in which only a tiny fraction of the molecules (0.7 mol%) were covalently conjugated to one of two different fluorophores, half to fluorescein isothiocyanate (FTIC) and the other half to tetramethylrhodamine (TAMRA). Confocal microscopy of the system revealed self-sorting of the two different fluorescent PA molecules, where TAMRA PA is concentrated in micron-scale domains while FITC PA remains dispersed throughout the sample. From Förster resonance energy transfer and fluorescence recovery experiments, we conclude that conjugation of the negatively charged FITC to PA significantly disrupts its co-assembly with the 99.3 mol% of unlabeled molecules, which are responsible for formation of micron-scale domains. Conversely, conjugation of the zwitterionic TAMRA causes no such disruption. Interestingly, this dissimilar behavior between FITC and TAMRA PA causes them to self-sort at large length scales in the supramolecular system, mediated not by specific interactions among the individual fluorophores but instead by their different propensities to co-assemble with the majority component. We also found that greater ionic strength in the aqueous environment of the system promotes mixing by lowering the electrostatic barriers involved in self-sorting. Furthermore, our results demonstrate great thermodynamic subtlety in the driving forces that mediate self-sorting versus co-assembly in supramolecular peptide assemblies.

36 MATERIALS SCIENCE↗