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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Mesoporous peptide frameworks engineered from crystallizable collagen-mimetic peptide amphiphiles

The rational design of porous frameworks with tunable pore dimensions and chemical functionalities is a critical step toward their implementation in diverse applications. While traditional porous materials are typically constructed from abiotic components, there is increasing interest in employing biologically derived building blocks (e.g., peptides and proteins) that offer unmatched structural and functional diversity. Here, we report the construction of crystalline mesoporous frameworks that are self-assembled from amphiphilic collagen-mimetic peptides. Comprehensive structural characterization via microscopy, spectroscopy, and computational techniques provides insights into the assembly packing model, in which hexagonally packed channels are interconnected by antiparallel-aligned collagen triple helices via hydrophobic and electrostatic interactions. Lastly, we demonstrate the functional potential of aCMP frameworks through the encapsulation of various molecular guests, including doxorubicin, an anti-cancer drug. Overall, this work establishes a class of mesoporous frameworks, derived from synthetically engineerable peptide conjugates, marking a significant step forward in broadening the architectural scope and application potential of peptide-based materials.

Perez, Anthony R↗
DOE OSTI2023

Leveraging peptide–cellulose interactions to tailor the hierarchy and mechanics of peptide–polymer hybrids

Inspired by spider silk's hierarchical diversity, we leveraged peptide motifs with the capability to tune structural arrangement for controlling the mechanical properties of a conventional polymer framework. The addition of nanofiller with hydrogen bonding sites was used as another pathway towards hierarchical tuning via matrix–filler interactions. Specifically, peptide–polyurea hybrids (PPUs) were combined with cellulose nanocrystals (CNCs) to develop mechanically-tunable nanocomposites via tailored matrix–filler interactions (or peptide–cellulose interactions). In this material platform, we explored the effect of these matrix–filler interactions on the secondary structure, hierarchical ordering, and mechanical properties of the peptide hybrid nanocomposites. Interactions between the peptide matrix and CNCs occur in all of the PPU/CNC nanocomposites, preventing α-helical ordering, but promoting inter-molecular hydrogen bonded β-sheet formation. Depending on peptide and CNC content, the Young's modulus varies from 10 to 150 MPa. Unlike conventional cellulose-reinforced polymer nanocomposites, the mechanical properties of these composite materials are dictated by a balance of CNC reinforcement, peptidic ordering, and microphase-separated morphology. This research highlights that leveraging peptide–cellulose interactions is a strategy to create materials with targeted mechanical properties for a specific application using a limited selection of building blocks.

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

3D Printing of Solar Absorber Tube with Internal/External Structures for Heat Transfer Enhancement and Temperature Leveling using Additive Manufacturing Technology

In this project, to tackle the technical obstacles, we utilized Laser Additive Alloying (LAA), an additive manufacturing (AM) technology, to 3D print the entire absorber tube with optimized helical fins to improve heat transfer at the expense of minimized pressure drop increase. The 3D printed absorber tubes can increase the uniformity of circumferential temperature distribution, reduced the thermal stresses, decrease the heat loss, and reach the target receiver thermal efficiency.

14 SOLAR ENERGY↗
NASA NTRS1998

Chinks in Solar Dynamo Theory: Turbulent Diffusion, Dynamo Waves and Magnetic Helicity

In this first year of our investigation we explored the role of compressibility and stratification in the dissipation of magnetic fields. The predictions of Mean Field Electrodynamics have been questioned because of the strong feedback of small scale magnetic structure on the velocity fields. In 2-D, this nonlinear feedback results in a lengthening of the turbulent decay time. In 3-D alpha-quenching is predicted. Previous studies assumed a homogeneous fluid. This first year we present recent results from 2-D compressible MHD decay simulations in a highly stratified atmosphere that more closely resembles to solar convection zone. We have applied for NCCS T3E time to assist in the performance of our 3-D calculations.

DeLuca, E. E.↗
DOE OSTI2021

Biophysical characterization and a roadmap towards the NMR solution structure of G0S2, a key enzyme in non-alcoholic fatty liver disease

In the United States non-alcoholic fatty liver disease (NAFLD) is the most common form of chronic liver disease, affecting an estimated 80 to 100 million people. It occurs in every age group, but predominantly in people with risk factors such as obesity and type 2 diabetes. NAFLD is marked by fat accumulation in the liver leading to liver inflammation, which may lead to scarring and irreversible damage progressing to cirrhosis and liver failure. In animal models, genetic ablation of the protein G0S2 leads to alleviation of liver damage and insulin resistance in high fat diets. The research presented in this paper aims to aid in rational based drug design for the treatment of NAFLD by providing a pathway for a solution state NMR structure of G0S2. Here we describe the expression of G0S2 in an E. coli system from two different constructs, both of which are confirmed to be functionally active based on the ability to inhibit the activity of Adipose Triglyceride Lipase. In one of the constructs, preliminary NMR spectroscopy measurements show dominant alpha-helical characteristics as well as resonance assignments on the N-terminus of G0S2, allowing for further NMR work with this protein. Additionally, the characterization of G0S2 oligomers are outlined for both constructs, suggesting that G0S2 may defensively exist in a multimeric state to protect and potentially stabilize the small 104 amino acid protein within the cell. This information presented on the structure of G0S2 will further guide future development in the therapy for NAFLD.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Polarity-Tolerant Chloride Binding in Foldamer Capsules by Programmed Solvent-Exclusion

Persistent anion binding in a wide range of solution environments is a key challenge that continues to motivate and demand new strategies in synthetic receptor design. Though strong binding in low-polarity solvents has become routine, our ability to maintain high affinities in high-polarity solvents has not yet reached the standard set by nature. Anions are bound and transported regularly in aqueous environments by proteins that use secondary and tertiary structure to isolate anion binding sites from water. Inspired by this principle of solvent exclusion, we created a sequence-defined foldameric capsule whose global minimum conformation displays a helical folded state and is preorganized for 1:1 anion complexation. The high stability of the folded geometry and its ability to exclude solvent were supported by solid-state and solution phase studies. This capsule then withstood a 4-fold increase in solvent dielectric constant (εr) from dichloromethane (9) to acetonitrile (36) while maintaining a high and solvent-independent affinity of 10 5 M –1 ; ΔG ~ 28 kJ mol –1 . This behavior is unusual. More typical of solvent-dependent behavior, Cl – affinities were seen to plummet in control compounds, such as aryl-triazole macrocycles and pentads, with their solvent-exposed binding cavities susceptible to dielectric screening. Finally, dimethyl sulfoxide denatures the foldamer by putative solvent binding, which then lowers the foldamer’s Cl – affinity to normal levels. Furthermore, the design of this capsule demonstrates a new prototype for the development of potent receptors that can operate in polar solvents and has the potential to help manage hydrophilic anions present in the hydrosphere and biosphere.

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

Nanoscale studies of electric field effects on monolayer 1T′-WTe2

Abstract Monolayer 1 T′-WTe 2 is a quantum spin Hall insulator with a gapped 2D-bulk and gapless helical edge states persisting to temperatures ~100 K. Despite the far-ranging interest, the magnitude of the bulk gap, the effect of gating on the 2D-band structure, as well the role interactions are not established. In this work we use STM spectroscopy to measure the intrinsic bulk gap of monolayer 1 T′-WTe 2 and show that gate induced electric fields cause large changes of the gap magnitude. Our first-principles DFT-derived tight-binding model reveal that a combination of spatial localization of the conduction and valance bands and Rashba-like spin-orbit coupling leads to a gating induced spin-splitting of the 2D-bulk bands in the tens of meV, thereby reducing the band gap. Our work explains the large sensitivity of the band structure to electric fields and suggests a new avenue for realizing proximity induced non-trivial superconductivity in monolayer 1 T′-WTe 2 .

36 MATERIALS SCIENCE↗
NASA NTRS2002

Overall Traveling-Wave-Tube Efficiency Improved By Optimized Multistage Depressed Collector Design

Depressed Collector Design The microwave traveling wave tube (TWT) is used widely for space communications and high-power airborne transmitting sources. One of the most important features in designing a TWT is overall efficiency. Yet, overall TWT efficiency is strongly dependent on the efficiency of the electron beam collector, particularly for high values of collector efficiency. For these reasons, the NASA Glenn Research Center developed an optimization algorithm based on simulated annealing to quickly design highly efficient multistage depressed collectors (MDC's). Simulated annealing is a strategy for solving highly nonlinear combinatorial optimization problems. Its major advantage over other methods is its ability to avoid becoming trapped in local minima. Simulated annealing is based on an analogy to statistical thermodynamics, specifically the physical process of annealing: heating a material to a temperature that permits many atomic rearrangements and then cooling it carefully and slowly, until it freezes into a strong, minimum-energy crystalline structure. This minimum energy crystal corresponds to the optimal solution of a mathematical optimization problem. The TWT used as a baseline for optimization was the 32-GHz, 10-W, helical TWT developed for the Cassini mission to Saturn. The method of collector analysis and design used was a 2-1/2-dimensional computational procedure that employs two types of codes, a large signal analysis code and an electron trajectory code. The large signal analysis code produces the spatial, energetic, and temporal distributions of the spent beam entering the MDC. An electron trajectory code uses the resultant data to perform the actual collector analysis. The MDC was optimized for maximum MDC efficiency and minimum final kinetic energy of all collected electrons (to reduce heat transfer). The preceding figure shows the geometric and electrical configuration of an optimized collector with an efficiency of 93.8 percent. The results show the improvement in collector efficiency from 89.7 to 93.8 percent, resulting in an increase of three overall efficiency points. In addition, the time to design a highly efficient MDC was reduced from a month to a few days. All work was done in-house at Glenn for the High Rate Data Delivery Program. Future plans include optimizing the MDC and TWT interaction circuit in tandem to further improve overall TWT efficiency.

Vaden, Karl R.↗
DOE OSTI2021

Measurement of N* Cross-Sections from Single-Pion Electroproduction at low Q 2

Measurements of nucleon electroexcitation resonance cross-sections give unique insight into the dynamics of the strong interaction and our knowledge of Quantum Chromodynamics (QCD). The analysis of exclusive electroproduction data is an important tool in understanding the structure of the nucleon and its excited states. Exclusive channels give a clear way to extract the desired resonant contributions from non-resonant contributions. A gap in the helicity amplitudes extracted from single-pion cross-section data exists for virtual photon momentum transfers (Q 2 ) in the range of 1- 2 GeV 2 . Using data collected by the CEBAF Large Acceptance Spectrometer (CLAS) detector with a beam energy of 4.8 GeV, the reaction channel y*r → nπ + is used in this study to investigate the kinematic region covering W=[1.1,1.82)GeV and Q 2 = [1.1,3.5)GeV 2 . This work expands on the previous kinematic coverage for charged single-pion electroproduction and increases the angular coverage of previously extracted kinematic bins.

Tyler, Nicholas↗
DOE OSTI2022

Cylindrical microelectrode array for neural stimulation and recording

A cylindrical microelectrode array having an elongated cylindrical core, and a multilayer structure conformally folded around and affixed to the cylindrical core so as to extend between opposite ends of the core. The multilayer structure has integrated sections including an electrode section with electrodes exposed through electrically insulating layers, a connector section with conductive bond pads for interfacing with external electronics, and a cable section with conductive traces encapsulated in electrically insulating layers and which connect between the electrodes and their corresponding bond pads. The array may be fabricated using a planar multilayer structure having the electrode, connector, and cable sections, and conformally folding the multilayer structure around and affixing to the cylindrical core. The cable section in particular may be conformally coiled around and affixed to the cylindrical core so that the electrical conduits helically extend between the connector and electrode sections.

Shah, Kedar G.↗
DOE OSTI2022

In Situ Synthesized Homochiral Spiroborate Ester Metal–Organic Framework with Mono–, Di–, and Trivalent Cations

Here we report here a one–step method for synthesizing multi–component and in–situ–formed homochiral spiroborate–ester–based metal–organic framework CPM–B1. This unique material successfully integrates COF fragment spiroborate ester within the MOF and simultaneously incorporate homochirality and helicity. In addition, CPM–B1 is a rare example of framework materials that results from the cooperative assembly of three charge–complementary cations: +1 (lithium), +2 (cobalt), and +3 (boron). The sophistication of the co–assembly is further highlighted by the three structural roles of lithium ions. This unique structure contributes to its multi–functional properties such as ionic conductivity and catalytic activity for oxygen reduction reaction (by CPM–B1 carbonized material) and provides a new path to develop MOF materials with complex secondary building units and multi–functional applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Isotope effects on transport in LHD

Abstract Isotope effects are one of the most important issues for predicting future reactor operations. Large helical device (LHD) is the presently working largest stellarator/helical device using super conducting helical coils. In LHD, deuterium experiments started in 2017. Extensive studies regarding isotope effects on transport have been carried out. In this paper, the results of isotope effect studies in LHD are reported. The systematic studies were performed adjusting operational parameters and nondimensional parameters. In L mode like normal confinement plasma, where internal and edge transport barriers are not formed, the scaling of global energy confinement time ( τ E ) with operational parameters shows positive mass dependence ( M 0.27 ; where M is effective ion mass) in electron cyclotron heating plasma and no mass dependence ( M 0.0 ) in neutral beam injection heating plasma. The non-negative ion mass dependence is anti-gyro-Bohm scaling. The role of the turbulence in isotope effects was also found by turbulence measurements and gyrokinetic simulation. Better accessibility to electron and ion internal transport barrier (ITB) plasma is found in deuterium (D) plasma than in hydrogen (H). Gyro kinetic non-linear simulation shows reduced ion heat flux due to the larger generation of zonal flow in deuterium plasma. Peaked carbon density profile plays a prominent role in reducing ion energy transport in ITB plasma. This is evident only in plasma with deuterium ions. New findings on the mixing and non-mixing states of D and H particle transports are reported. In the mixing state, ion particle diffusivities are higher than electron particle diffusivities and D and H ion density profiles are almost identical. In the non-mixing state, ion particle diffusivity is much lower than electron diffusivity. Deuterium and hydrogen ion profiles are clearly different. Different turbulence structures were found in the mixing and non-mixing states suggesting different turbulence modes play a role.

Physics↗
DOE OSTI2020

Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling

Abstract Translation of chirality and asymmetry across structural motifs and length scales plays a fundamental role in nature, enabling unique functionalities in contexts ranging from biological systems to synthetic materials. Here, we introduce a structural chirality transfer across the organic–inorganic interface in two-dimensional hybrid perovskites using appropriate chiral organic cations. The preferred molecular configuration of the chiral spacer cations, R -(+)- or S -(−)-1-(1-naphthyl)ethylammonium and their asymmetric hydrogen-bonding interactions with lead bromide-based layers cause symmetry-breaking helical distortions in the inorganic layers, otherwise absent when employing a racemic mixture of organic spacers. First-principles modeling predicts a substantial bulk Rashba-Dresselhaus spin-splitting in the inorganic-derived conduction band with opposite spin textures between R - and S -hybrids due to the broken inversion symmetry and strong spin-orbit coupling. The ability to break symmetry using chirality transfer from one structural unit to another provides a synthetic design paradigm for emergent properties, including Rashba-Dresselhaus spin-polarization for hybrid perovskite spintronics and related applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The structural basis of mRNA recognition and binding by yeast pseudouridine synthase PUS1

The chemical modification of RNA bases represents a ubiquitous activity that spans all domains of life. Pseudouridylation is the most common RNA modification and is observed within tRNA, rRNA, ncRNA and mRNAs. Pseudouridine synthase or ‘PUS’ enzymes include those that rely on guide RNA molecules and others that function as ‘stand-alone’ enzymes. Among the latter, several have been shown to modify mRNA transcripts. Although recent studies have defined the structural requirements for RNA to act as a PUS target, the mechanisms by which PUS1 recognizes these target sequences in mRNA are not well understood. Here we describe the crystal structure of yeast PUS1 bound to an RNA target that we identified as being a hot spot for PUS1-interaction within a model mRNA at 2.4 Å resolution. The enzyme recognizes and binds both strands in a helical RNA duplex, and thus guides the RNA containing the target uridine to the active site for subsequent modification of the transcript. The study also allows us to show the divergence of related PUS1 enzymes and their corresponding RNA target specificities, and to speculate on the basis by which PUS1 binds and modifies mRNA or tRNA substrates.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2004

Underexpanded Screeching Jets From Circular, Rectangular, and Elliptic Nozzles

The screech frequency and amplitude, the shock spacing, the hydrodynamic-acoustic standing wave spacing, and the convective velocity of large organized structures are measured in the nominal Mach number range of 1.1 less than or = Mj less that or = l0.9 for supersonic, underexpanded jets exhausting from a circular, a rectangular and an elliptic nozzle. This provides a carefully measured data set useful in comparing the importance of various physical parameters in the screech generation process. The hydrodynamic-acoustic standing wave is formed between the potential pressure field of large turbulent structures and the acoustic pressure field of the screech sound. It has been demonstrated earlier that in the currently available screech frequency prediction models replacement of the shock spacing by the standing wave spacing provides an exact expression. In view of this newly found evidence, a comparison is made between the average standing wavelength and the average shock spacing. It is found that there exists a small, yet important, difference, which is dependent on the azimuthal screech mode. For example, in the flapping modes of circular, rectangular, and elliptic jets, the standing wavelength is slightly longer than the shock spacing, while for the helical screech mode in a circular jet the opposite is true. This difference accounts for the departure of the existing models from predicting the exact screech frequency. Another important parameter, necessary in screech prediction, is the convective velocity of the large organized structures. It is demonstrated that the presence of the hydrodynamic-acoustic standing wave, even inside the jet shear layer, becomes a significant source of error in the convective velocity data obtained using the conventional methods. However, a new relationship, using the standing wavelength and screech frequency is shown to provide more accurate results.

Panda, J.↗
NASA NTRS2009

Long Cable Deployments During Martian Touchdown: Lessons Learned

The launch of NASA/JPL's next generation Mars rover is planned for the fall of 2011. The landing scheme chosen for this rover represents a step forward in unmanned payload delivery. The rover will be lowered from a rocket powered descent stage and then placed onto the surface while hanging from three bridles. During this touchdown event, the communication between the rover and descent stage is maintained by an electrical umbilical cable which is deployed in parallel with the structural bridles. During the development of the deployment device for the electrical umbilical, many obstacles were identified and overcome. Many of these challenges were due in large part to the helical nature of the packing geometry of the umbilical cable. And although none of these issues resulted in the failure of the design, they increased both development and assembly time. Many of the issues and some of the benefits of a helical deployment were not immediately apparent during the trade studies carried out during the deployment selection process. Tests were conducted upon completion of the device in order to characterize both the deployment and separation characteristics of the cable. Extraction loads were needed for inputs to touchdown models and separation dynamics were required to assess cable-rover recontact risk. Understanding the pros and cons surrounding the deployment of a helically packed cable would most certainly influence the outcome of future trade studies surrounding the selection of cable deployment options.

Mars Science Lab↗
DOE OSTI2024

Structure preserving transport stabilized compatible finite element methods for magnetohydrodynamics

Here, we present compatible finite element space discretizations for the ideal compressible magnetohydrodynamic equations. The magnetic field is considered both in div- and curl-conforming spaces, leading to a strongly or weakly preserved zero-divergence condition, respectively. The equations are discretized in space such that transfers between the kinetic, internal, and magnetic energies are consistent, leading to a preserved total energy. We also discuss further adjustments to the discretization required to additionally achieve magnetic helicity preservation. Finally, we describe new transport stabilization methods for the magnetic field equation which maintain the zero-divergence and energy conservation properties, including one method which also preserves magnetic helicity. The methods' preservation and improved stability properties are confirmed numerically using a steady state and a magnetic dynamo test case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Structures of the mycobacterial membrane protein MmpL3 reveal its mechanism of lipid transport

The mycobacterial membrane protein large 3 (MmpL3) transporter is essential and required for shuttling the lipid trehalose monomycolate (TMM), a precursor of mycolic acid (MA)-containing trehalose dimycolate (TDM) and mycolyl arabinogalactan peptidoglycan (mAGP), in Mycobacterium species, including Mycobacterium tuberculosis and Mycobacterium smegmatis. However, the mechanism that MmpL3 uses to facilitate the transport of fatty acids and lipidic elements to the mycobacterial cell wall remains elusive. Here, we report 7 structures of the M. smegmatis MmpL3 transporter in its unbound state and in complex with trehalose 6-decanoate (T6D) or TMM using single-particle cryo-electron microscopy (cryo-EM) and X-ray crystallography. Combined with calculated results from molecular dynamics (MD) and target MD simulations, we reveal a lipid transport mechanism that involves a coupled movement of the periplasmic domain and transmembrane helices of the MmpL3 transporter that facilitates the shuttling of lipids to the mycobacterial cell wall.

60 APPLIED LIFE SCIENCES↗