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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A Bottom's-Up Model for Siting and Developing Consent-Based Disposal Solutions for SNF and HLW in the USA - 17332

At the end of 2016, the licensing and continued development of the USA's only candidate HLW-repository since 1987 at the Yucca Mountain (YM) site in Nevada had been on hold since 2010 pending the enactment of enabling legislation for one or more of the following paths forward: 1. Re-start of the YM HLW repository. 2. Consent-based siting and development (S and D) of new HLW-repositories for commingled disposal of commercially- (CHLW) and defense-generated (DHLW) HLW. 3. Consent-based S and D of a repository and/or deep boreholes for DHLW only. Public trust in the implementing and regulating entities and a definitive say in an apolitical S and D process by the directly affected parties (DAPs) are historical imperatives for gaining public acceptance and maintaining sustained support of any or all of them. However, due to the widespread negative legacy currently attributed to past politically-controlled S and D organizations, an even more politically controlled organizational structure and an amorphous, 'consent-based', S and D model like that introduced twice in proposed Senate bills since June 2013 will exacerbate, rather than mitigate, the main root causes to past contentions, lawsuits, delays, and cost-increases. We therefore recommend: 1) Assigning the responsibility for safe disposal of CHLW to an independent, chartered public corporation with requisite subject-matter expertise and adequate financial resources. 2) Enacting a related law that: a. Defines 'consent-based' in measurable terms; b. Assigns irrevocable veto rights to facility host state(s) based upon the majority opinion of its legal residents at pre-determined S and D milestones. c. Requires Congressional approval before the facility can open and close. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Fast modular reactor nuclear design parameters of fuel cycle and power distributions

This paper describes conceptual design of a 112 MW thermal (50 MW electric) Fast Modular Reactor (FMR) system operating at 7 MPa with inlet/outlet temperatures of 509/800 Celsius degrees. The reactor system includes the reactor core, fuel assemblies, fuel rods, reactor internals, reflector, neutron control system, flow control, and structural components. The nuclear design and analysis were conducted to search for a baseline core with a cycle length greater than 8-year and the power peaking factor less than 1.5 by adjusting the fuel assembly, reactor core, and reflector configurations. The neutron transport calculations of the baseline core showed that a refueling interval of 9-year is achieved with a total peaking factor of 1.47 and a fuel rod average linear power of 3.6 kW/m. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

EXPERIMENTAL AND MODELING STUDY OF MOLECULAR TRANSPORT PHENOMENA IN COMPLEX LIQUID MIXTURES USING COVALENT ORGANIC FRAMEWORK MEMBRANES

Currently, 10-15% of the world’s energy is consumed by chemical separations, and more than 80% of that is used to purify organic liquids and recover rare earth elements and critical minerals. Membrane nanofiltration presents an energy-efficient, cost-effective, and eco-friendly alternative to current separation technologies. These complex liquid environments require high- performance, chemically-resistant membrane materials. Recently discovered Covalent Organic Frameworks (COFs) possess desirable properties as membrane materials for complex liquid separations. COFs are highly crystalline, chemically and thermally stable, with tunable size and charge. COFs, especially two-dimensional highly crystalline COFs, possess narrow pore-size distribution and controlled porous structures. Two-dimensional COFs are also resistant to swelling, another feature beneficial in complex liquid separations. Molecular interactions in complex liquid systems often dictate final membrane performance, resulting in a discrepancy between designed and apparent COF properties. Understanding and resolving this discrepancy is critical in utilizing COF membranes as a viable alternative to energy-intensive separations. The primary objective of this thesis was to use a commercially available COF TpPa-1 as a platform to investigate how mixed solvent environment affects COF membrane performance via experimental and molecular modeling studies. Specifically, the effects of solution pH, solvent- solvent-solute interactions in mixed solvents, and COF chemistry were carefully examined on apparent TpPa-1 pore size and permeability and targeted solute rejection of COF membranes for neat and mixed solvents. Experimental COF filtration performance was compared and corroborated with modeling predication. Findings from this study will provide guidance for future COF design, synthesis, and desired functional COF membrane performance.

Barnes, Anastasia↗
DOE OSTI2025

Mesoporous optically clear heat insulators for sustainable building envelopes

Mesoporous materials exhibit highly controlled nanoscale structures, often templated by liquid crystalline assemblies of surfactants, with emergent and often designable physical properties. However, scaling their fabrication to be suitable for uses like envelopes of buildings is challenging. Here we describe fabrication of flexible square-meter-sized films and multi-centimeter-thick slabs made of three-dimensional spatial graphs of mesopore tubes having all structural features under 50 nanometers. Solution-based kinetic fabrication process templates growing networks of cylindrical surfactant micelles with thin tubes of polysiloxane forming gel networks and, upon replacing surfactants and solvents with air, yields lightweight materials with >99% visible-range optical transparency and ~10 mW K-1m-1 thermal conductivity. Such predesigned metamaterials enable transparent thermal barriers for wall-grade insulated glass units, square-meter window retrofits and unconcentrated solar thermal energy harnessing.

14 SOLAR ENERGY↗
DOE OSTI2013

Direct synthesis of Al-SBA-15 containing aluminosilicate species plugs in an acid-free medium and structural adjustment by hydrothermal post-treatment

A series of Al-SBA-15 with controllable aluminosilicate plug structures inside straight mesopores has been hydrothermally synthesized in a one-step synthesis in an environmentally friendly acid-free medium, using triblock copolymer Pluronic P123 as a structure-directing agent, water as solvent, tetraethyl orthosilicate (TEOS) and aluminum nitrate (Al(NO){sub 3}·9H{sub 2}O) as silica and aluminum sources, respectively. The effects of the P123/Si molar ratio in the initial solution and aging temperature on the structural properties of the resulting materials were investigated by powder X-ray diffraction (XRD), nitrogen adsorption–desorption at 77 K, transmission electron microscopy (TEM), scanning electron microscopy (SEM), thermogravimetric (TG), FT-IR spectra and inductively coupled plasma (ICP) analyses. The nature of the Al species and the acidity of the resultant samples were studied by solid state {sup 27}Al MAS NMR and pyridine adsorption measurements. The specific surface area (935–755 m{sup 2}g{sup −1}), pore volume (1.03–0.56 cm{sup 3}g{sup −1}) and especially the concentration and distribution of open type mesopores (0–68% to the total pores) of the synthesized Al-SBA-15 can be controlled by a simple adjustment of the P123/Si molar ratio in the initial solution. Moreover, increasing the aging temperature higher than 363 K can remarkably decrease the formation of plug structures to obtain “open” form mesopores. The observation by TEM of alternate defined gray and white areas inside the mesopores gives the strong evidence of isolated microporous aluminosilicate plugs inside the channels. In addition, a moderate hydrothermal post-treatment can finely modify the mesostructures through the partial or complete dissolution of the aluminosilicate plugs. - Graphical abstract: The plugs-containing structures can be interpreted as the distribution of individual isolated plugs along the mesoporous channel. - Highlights: • Al-SBA-15 with controllable plug structures was synthesized in an acid-free medium. • Its structural properties can be finely modified through moderate hydrothermal post-treatment. • TEM analysis gave the direct evidence of isolated aluminosilicate plugs inside the channels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Stabilizing a strongly nonlinear structure through shaker dynamics in fixed frequency voltage control tests

Bifurcations are commonly encountered during force controlled swept and stepped sine testing of nonlinear structures, which generally leads to the so-called jump-down or jump-up phenomena between stable solutions. There are various experimental closed-loop control algorithms, such as control-based continuation and phase-locked loop, to stabilize dynamical systems through these bifurcations, but they generally rely on specialized control algorithms that are not readily available with many commercial data acquisition software packages. A recent method was developed to experimentally apply sequential continuation using the shaker voltage that can be readily deployed using commercially available software. By utilizing the stabilizing effects of electrodynamic shakers and the force dropout phenomena in fixed frequency voltage control sine tests, this approach has been demonstrated to stabilize the unstable branch of a nonlinear system with three branches, allowing for three multivalued solutions to be identified within a specific frequency bandwidth near resonance. Recent testing on a strongly nonlinear system with vibro-impact nonlinearity has revealed jumping behavior when performing sequential continuation along the voltage parameter, like the jump phenomena seen during more traditional force controlled swept and stepped sine testing. Here, this paper investigates the stabilizing effects of an electrodynamic shaker on strongly nonlinear structures in fixed frequency voltage control tests using both numerical and experimental methods. The harmonic balance method is applied to the coupled shaker-structure system with an electromechanical model to simulate the fixed voltage control tests and predict the stabilization for different parameters of the model. The simulated results are leveraged to inform the design of a set of experiments to demonstrate the stabilization characteristics on a fixture-pylon assembly with a vibro-impact nonlinearity. Through numerical simulation and experimental testing on two different strongly nonlinear systems, the various parameters that influence the stability of the coupled shaker-structure are revealed to better understand the performance of fixed frequency voltage control tests.

42 ENGINEERING↗
DOE OSTI2020

Controlling surface adatom kinetics for improved structural and optical properties of high indium content aluminum indium nitride

A non-traditional, for AlInN, method of controlling adatom kinetics and a low temperature growth condition were employed to improve the quality of high indium content aluminum indium nitride films. Metal-rich surfaces were used to enhance adatom mobility and compensate for the low growth temperature (Tsub ≤ 400 °C) effect of reducing surface diffusion lengths. The metal-rich approach resulted in 12 times lower x-ray diffraction full-width at half-maximum rocking curve figures of merit when compared to literature. In addition to promising photoluminescence emission, these results indicate improved structural quality over other reported approaches. AlInN films with ∼70% indium content were characterized via x-ray diffraction, atomic force microscopy, and photoluminescence spectroscopy with each technique indicating an optimal growth temperature of 350 °C. Al0.3In0.7N grown above 400 °C exhibited phase separation and a reduction in quality, while samples grown colder were predominantly single-phase and displayed improved photoluminescence at ∼1.45 eV. The photoluminescence spectra suggest emission from quantum wire-like structures with dimensions ranging from 15 to 18 nm. These low-temperature, metal-rich findings for high indium content AlInN are promising for future long-wavelength III-nitride optical devices.

Engel, Zachary (ORCID:0000000205021981)↗
DOE OSTI2012

Designing Allosteric Control into Enzymes by Chemical Rescue of Structure

Ligand-dependent activity has been engineered into enzymes for purposes ranging from controlling cell morphology to reprogramming cellular signaling pathways. Where these successes have typically fused a naturally allosteric domain to the enzyme of interest, here we instead demonstrate an approach for designing a de novo allosteric effector site directly into the catalytic domain of an enzyme. This approach is distinct from traditional chemical rescue of enzymes in that it relies on disruption and restoration of structure, rather than active site chemistry, as a means to achieve modulate function. We present two examples, W33G in a {beta}-glycosidase enzyme ({beta}-gly) and W492G in a {beta}-glucuronidase enzyme ({beta}-gluc), in which we engineer indole-dependent activity into enzymes by removing a buried tryptophan side chain that serves as a buttress for the active site architecture. In both cases, we observe a loss of function, and in both cases we find that the subsequent addition of indole can be used to restore activity. Through a detailed analysis of {beta}-gly W33G kinetics, we demonstrate that this rescued enzyme is fully functionally equivalent to the corresponding wild-type enzyme. We then present the apo and indole-bound crystal structures of {beta}-gly W33G, which together establish the structural basis for enzyme inactivation and rescue. Finally, we use this designed switch to modulate {beta}-glycosidase activity in living cells using indole. Disruption and recovery of protein structure may represent a general technique for introducing allosteric control into enzymes, and thus may serve as a starting point for building a variety of bioswitches and sensors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

A facile route to synthesize core/shell structured carbon/magnetic nanoparticles hybrid and their magnetic properties

Graphical abstract: Controllable synthesis of core/shell structured carbon/magnetic nanoparticles hybrid and their tunable magnetic properties. - Highlights: • The paper reports a simple route for core/shell structured carbon/magnetic nanoparticles hybrid. • By controlling the temperature, Fe{sub 3}O{sub 4}@CNCs, Fe@HCNTs and Fe@LCNTs were produced selectively. • The magnetic properties of the obtained core/shell structured hybrid could be tuned effectively. - Abstract: By controlling the pyrolysis temperature, core/shell structured Fe{sub 3}O{sub 4}/carbon nanocages, Fe/helical carbon nanotubes and Fe/low helicity of carbon nanotubes could be synthesized selectively over Fe{sub 2}O{sub 3} nanotubes generated by a hydrothermal method. The transmission electron microscopic and scanning electron microscopic investigations revealed that the efficiency of generating core/shell structured hybrid was high, exceeding 90%. Because of the magnetic nanoparticles tightly wrapped in graphitic layers, the obtained core/shell structured hybrids showed high stability and good magnetic properties. And the magnetic properties of the obtained core/shell structured hybrid could be tuned by the decomposition temperature and time. Therefore, a simple, inexpensive and environment-benign route was proposed to produce magnetism-tunable core/shell structured hybrid in large quantities.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Stochastic formation of magnetic vortex structures in asymmetric disks triggered by chaotic dynamics

The non-trivial spin configuration in a magnetic vortex is a prototype for fundamental studies of nanoscale spin behaviour with potential applications in magnetic information technologies. Arrays of magnetic vortices interfacing with perpendicular thin films have recently been proposed as enabler for skyrmionic structures at room temperature, which has opened exciting perspectives on practical applications of skyrmions. An important milestone for achieving not only such skyrmion materials but also general applications of magnetic vortices is a reliable control of vortex structures. However, controlling magnetic processes is hampered by stochastic behaviour, which is associated with thermal fluctuations in general. Here we show that the dynamics in the initial stages of vortex formation on an ultrafast timescale plays a dominating role for the stochastic behaviour observed at steady state. Our results show that the intrinsic stochastic nature of vortex creation can be controlled by adjusting the interdisk distance in asymmetric disk arrays.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Structures including a measurement coating and methods of forming the same

A structure includes a substrate and a coating applied over the substrate, the coating containing particles sized between 30 and 250 micrometers. A proportion of the particles to the carrier is between 40 and 70 by volume percentage. In response to excitation of the structure by a controllable excitation source, a first instrument monitors behavior of the particles to determine a first condition of the structure thereby. In response to an absence of excitation of the structure by the controllable excitation source, a second instrument monitors behavior of the particles to determine a second condition of the structure thereby.

Ely, George Ray↗
DOE OSTI2017

Pseudo-spectral control of a novel oscillating surge wave energy converter in regular waves for power optimization including load reduction

The aim of this study is to describe a procedure to maximize the power-to-load ratio of a novel wave energy converter (WEC) that combines an oscillating surge wave energy converter with variable structural components. The control of the power-take-off torque will be on a wave-to-wave timescale, whereas the structure will be controlled statically such that the geometry remains the same throughout the wave period. Linear hydrodynamic theory is used to calculate the upper and lower bounds for the time-averaged absorbed power and surge foundation loads while assuming that the WEC motion remains sinusoidal. Previous work using pseudo-spectral techniques to solve the optimal control problem focused solely on maximizing absorbed energy. This work extends the optimal control problem to include a measure of the surge foundation force in the optimization. The objective function includes two competing terms that force the optimizer to maximize power capture while minimizing structural loads. A penalty weight was included with the surge foundation force that allows control of the optimizer performance based on whether emphasis should be placed on power absorption or load shedding. Results from pseudo-spectral optimal control indicate that a unit reduction in time-averaged power can be accompanied by a greater reduction in surge-foundation force.

16 TIDAL AND WAVE POWER↗
DOE OSTI2016

Double epitaxy as a paradigm for templated growth of highly ordered three-dimensional mesophase crystals

Molecular templating and self-assembly are fundamental mechanisms for controlling the morphology of biominerals, while in synthetic two-dimensional layered materials similar levels of control over materials structure can be achieved through the epitaxial relationship with the substrate. In this study these two concepts are combined to provide an approach for the nucleation and growth of three-dimensional ordered mesophases on solid surfaces. A combined experimental and theoretical study revealed how atomic ordering of the substrate controls the structure of surfactant template and the orientation and morphology of the epitaxially grown inorganic material. Such dual epitaxial relationship between the substrate, surfactant template and inorganic mesophase gives rise to a highly ordered porous mesophase with a well-defined cubic lattice of pores. The level of control over material’s three-dimensional architecture achieved in this one-step synthesis is reminiscent to that in biomineralization.

crystal growth↗
DOE OSTI2017

Sequence-Mandated, Distinct Assembly of Giant Molecules

Although controlling the primary structure of synthetic polymers is itself a great challenge, the potential of sequence control for tailoring hierarchical structures remains to be exploited, especially in the creation of new and unconventional phases. A series of model amphiphilic chain-like giant molecules was designed and synthesized by interconnecting both hydrophobic and hydrophilic molecular nanoparticles in precisely defined sequence and composition to investigate their sequence-dependent phase structures. Not only compositional variation changed the self-assembled supramolecular phases, but also specific sequences induce unconventional phase formation, including Frank-Kasper phases. The formation mechanism was attributed to the conformational change driven by the collective hydrogen bonding and the sequence-mandated topology of the molecules. Lastly, these results show that sequence control in synthetic polymers can have a dramatic impact on polymer properties and self-assembly.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Spatial characterization of heterogeneous nanopore surfaces from XCT scans of Niobrara shale

The multiphase fluid flow through natural and geo-architected nanopore structures is fundamentally controlled by the geometry of such nanopore structures, pore wettability and interfacial tension. Furthermore, multiphase fluid flow through the nanopore structures is compromised when the pore surfaces are heterogeneous, having surface regions of different composition, polarity, and wetting characteristics. In this regard, compositional analysis of the pore channel surface has been a big challenge in the past, since 3D analysis is required. Currently, due to advances in nano X-ray CT, with a voxel resolution of 20 nm, it is possible to identify nanopore network structures and quantify their surface composition in 3D. In this paper, the development of procedures for detailed analysis to quantify the composition of the pore channel surface regions, including the corresponding area, is described using nanoCT images. Image analysis procedures, including preprocessing of the 3D tomographic images, correction for the partial volume effect (PVE), and the use of a new algorithm for determination of pore channel surface composition and area are reported on. Videos of the nanopore structure have been provided as supplementary information to further describe the heterogeneity of the nanopore surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Triphase electrode performance adjustment for rechargeable ion batteries

Rechargeable batteries electrodes are mainly classical oxides with single structure, but their performance is insufficient to meet the growing energy storage needs of modern-society. Recently, composite-structure materials with great improvements in electrochemical performance have been developed. However, little research has been conducted on these materials with regard to adjusting their structures and further controlling their electrochemical performance. Herein, composite-structure Na 2/3 Ni 1/3–x Fe x Ti 2/3 O 2 (0 ≤ x ≤ 1/3) electrodes for sodium-ion batteries were designed on the basis of results from in-situ high-temperature X-ray diffraction. Triphase compositions of P2-Na 2/3 Ni 1/3 Ti 2/3 O 2 , tunnel-Na 2.65 Ti 3.35 Fe 0.65 O 9 , and tunnel-NaFeTiO 4 were prepared, and Na + insertion/extraction in different structures was observed using in-situ electrochemical X-ray diffraction. An optimum electrode with 46% P2-structure presented the best comprehensive performance: 105 mAh g –1 initial reversible capacity along with 86.5% capacity-retention after 1500 cycles. As a result, this work opens a new field for designing and adjusting composite electrodes for better electrochemical performance, not limited for sodium-ion batteries but also for other advanced battery-systems.

25 ENERGY STORAGE↗
DOE OSTI2022

A small RNA that cooperatively senses two stacked metabolites in one pocket for gene control

Riboswitches are structured non-coding RNAs often located upstream of essential genes in bacterial messenger RNAs. Such RNAs regulate expression of downstream genes by recognizing a specific cellular effector. Although nearly 50 riboswitch classes are known, only a handful recognize multiple effectors. Here, we report the 2.60-Å resolution co-crystal structure of a class I type I preQ 1 -sensing riboswitch that reveals two effectors stacked atop one another in a single binding pocket. These effectors bind with positive cooperativity in vitro and both molecules are necessary for gene regulation in bacterial cells. Stacked effector recognition appears to be a hallmark of the largest subgroup of preQ 1 riboswitches, including those from pathogens such as Neisseria gonorrhoeae. We postulate that binding to stacked effectors arose in the RNA World to closely position two substrates for RNA-mediated catalysis. These findings expand known effector recognition capabilities of riboswitches and have implications for antimicrobial development.

59 BASIC BIOLOGICAL SCIENCES↗