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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Sulfur-Embedded Activated Multichannel Carbon Nanofiber Composites for Long-Life, High-Rate Lithium-Sulfur Batteries

Despite the 3–5 fold higher energy density than the conventional Li–ion cells at a lower cost, commercialization of Li–S batteries is hindered by the insulating nature of sulfur and the dissolution of intermediate polysulfides (Li 2 S X , 4 < X ≤ 8) into the electrolyte. The authors demonstrate here multichannel carbon nanofibers that are composed of parallel mesoporous channels connected with micropores as sulfur containment. In addition, hydroxyl functional groups are formed on the carbon surface through a chemical activation to enhance the interaction between sulfur and carbon. In the sulfur embedded composite, the mesoporous multichannel enhances the active material utilization and sulfur loading, while the micropores act as a reaction chamber for sulfur component and trap site for polysulfide with the assistance of the functional groups. Here, this sulfur–carbon composite electrode with 2.2 mg cm –2 sulfur displays excellent performance with high rate capability (initial capacity of 1351 mA h g –1 at C/5 rate and 847 mA h g –1 at 5C rate), maintaining 920 mA h g –1 even after 300 cycles (a decay of 0.07% per cycle). Furthermore, a stable reversible capacity of as high as ≈1100 mA h g –1 is realized with a higher sulfur loading of 4.6 mg cm –2 .

25 ENERGY STORAGE↗
DOE OSTI2015

Liquid li structure and dynamics: A comparison between OFDFT and second nearest-neighbor embedded-atom method

The structure and dynamics of liquid lithium are studied using two simulation methods: orbital-free (OF) first-principles molecular dynamics (MD), which employs OF density functional theory (DFT), and classical MD utilizing a second nearest-neighbor embedded-atom method potential. The properties we studied include the dynamic structure factor, the self-diffusion coefficient, the dispersion relation, the viscosity, and the bond angle distribution function. Our simulation results were compared to available experimental data when possible. Each method has distinct advantages and disadvantages. For example, OFDFT gives better agreement with experimental dynamic structure factors, yet is more computationally demanding than classical simulations. Classical simulations can access a broader temperature range and longer time scales. The combination of first-principles and classical simulations is a powerful tool for studying properties of liquid lithium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Design of a Short Thermally Stable α‐Helix Embedded in a Macrocycle

Abstract Although helices play key roles in peptide–protein and protein–protein interactions, the helical conformation is generally unstable for short peptides (10–15 residues) in aqueous solution in the absence of their binding partners. Thus, stabilizing the helical conformation of peptides can lead to increases in binding potency, specificity, and stability towards proteolytic degradation. Helices have been successfully stabilized by introducing side chain‐to‐side chain crosslinks within the central portion of the helix. However, this approach leaves the ends of the helix free, thus leading to fraying and exposure of the non‐hydrogen‐bonded amide groups to solvent. Here, we develop a “capped‐strapped” peptide strategy to stabilize helices by embedding the entire length of the helix within a macrocycle, which also includes a semirigid organic template as well as end‐capping interactions. We have designed a ten‐residue capped‐strapped helical peptide that behaves like a miniprotein, with a cooperative thermal unfolding transition and T m ≈70 °C, unprecedented for helical peptides of this length. The NMR structure determination confirmed the design, and X‐ray crystallography revealed a novel quaternary structure with implications for foldamer design.

Wu, Haifan↗
DOE OSTI2014

Monolithic Composite Electrodes Comprising Silicon Nanoparticles Embedded in Lignin-derived Carbon Fibers for Lithium-Ion Batteries

Here, we report direct manufacturing of high-capacity carbon/silicon composite fiber electrodes for lithium-ion batteries produced via a flexible low-cost melt processing route, yielding low-cost stable silicon particles coated in situ by a 10 nanometer thick protective silica layer. Moreover, the core–shell silicon/SiO 2 islands are embedded in electrochemically active and electronically conductive carbon fiber derived from lignin precursor material. The silicon–silica–carbon composites exhibit capacities exceeding 700 mAh g -1 with Coulombic efficiencies in excess of 99.5 %. Finally, the high efficiency, stability, and rate capability are linked to the nanocrystalline structure and abundant, uniform nanometer-thick SiO 2 interfaces that are produced during the spinning and subsequent pyrolysis of the precursor blend.

25 ENERGY STORAGE↗
DOE OSTI2024

Embedding Thiols into Choline Phosphate Polymer Zwitterions

Abstract The compositional scope of polymer zwitterions has grown significantly in recent years and now offers designer synthetic materials that are broadly applicable across numerous areas, including supracolloidal structures, electronic materials interfaces, and macromolecular therapeutics. Among recent developments in polymer zwitterion syntheses are those that allow insertion of reactive functionality directly into the zwitterionic moiety, yielding new monomer and polymer structures that hold potential for maximizing the impact of zwitterions on the macromolecular materials chemistry field. This manuscript describes the preparation of zwitterionic choline phosphate (CP) methacrylates containing either aromatic or aliphatic thiols embedded directly into the zwitterionic moiety. The polymerization of these functional CP methacrylates by reversible addition‐fragmentation chain‐transfer methodology yields polymeric zwitterionic thiols containing protected thiol functionality in the zwitterionic units. After polymerization, the protected thiols are liberated to yield thiol‐rich polymer zwitterions which serve as precursors to subsequent reactions that produce polymer networks as well as polymer‐protein bioconjugates.

Polymer Science↗
DOE OSTI2023

Multi-Functional Applications of H-Glass Embedded with Stable Plasmonic Gold Nanoislands

Metal nanoparticles (MNPs) are synthesized using various techniques on diverse substrates that significantly impact their properties. However, among the substrate materials investigated, the major challenge is the stability of MNPs due to their poor adhesion to the substrate. Herein, it is demonstrated how a newly developed H-glass can concurrently stabilize plasmonic gold nanoislands (GNIs) and offer multifunctional applications. The GNIs on the H-glass are synthesized using a simple yet, robust thermal dewetting process. The H-glass embedded with GNIs demonstrates versatility in its applications, such as i) acting as a room temperature chemiresistive gas sensor (70% response for NO 2 gas); ii) serving as substrates for surface-enhanced Raman spectroscopy for the identifications of Nile blue (dye) and picric acid (explosive) analytes down to nanomolar concentrations with enhancement factors of 4.8 × 10 6 and 6.1 × 10 5 , respectively; and iii) functioning as a nonlinear optical saturable absorber with a saturation intensity of 18.36 × 10 15 W m -2 at 600 nm, and the performance characteristics are on par with those of materials reported in the existing literature. In conclusion, this work establishes a facile strategy to develop advanced materials by depositing metal nanoislands on glass for various functional applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

BCJ amplitude relations for Anti-de Sitter boundary correlators in embedding space

We generalize the color/kinematics duality of flat-space scattering amplitudes to the embedding space formulation of AdS boundary correlators. Kinematic numerators and propagators are replaced with differential operators acting on a scalar contact diagram that is the AdS generalization of the momentum conserving delta function of flat space scattering amplitudes. We show that color/kinematics duality implies differential relations among AdS boundary correlators that naturally generalize the flat space BCJ amplitude relations and verify them for the correlators of Yang-Mills theory and of the Nonlinear Sigma Model through four- and six-points, respectively. For the latter we also find representations of the four- and six-point correlator that manifest the duality. Possible double-copy procedures in AdS space are also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Embedding three-dimensional bosonization dualities into string theory

We give simple string theory embeddings of several recently introduced dualities between 2+1-dimensional Chern-Simons matter theories using probe brane holography. Our construction is reliable in the limit of a large number of colors N with fixed Chern-Simons level k.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Indwelling Stent Embedded with Light-Emitting Diodes for Photodynamic Therapy of Malignant Biliary Obstruction

PurposeWe describe the design and preliminary characterization of a stent incorporating light-emitting diodes (LEDs) for photodynamic therapy (PDT) of malignant biliary obstruction.MethodsA prototype was constructed with red (640 nm) LEDs embedded in a 14.5 French polyurethane tube. The device was evaluated for optical power and subjected to physical and electrical tests. PDT-induced reactive oxygen species were imaged in a gel phantom.ResultsThe stent functioned at a 2.5-cm bend radius and illuminated for 6 months in saline. No stray currents were detected, and it was cool after 30 minutes of operation. Optical power of 5–15 mW is applicable to PDT. Imaging of a reactive oxygen indicator showed LED-stent activation of photosensitizer.ConclusionsThe results motivate biological testing and design optimization.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

Finite element formulation with embedded weak discontinuities for strain localization under dynamic conditions

Here, we present an explicit finite element formulation designed for the treatment of strain localization under highly dynamic conditions. We also used a material stability analysis to detect the onset of localization behavior. Finite elements with embedded weak discontinuities are employed with the aim of representing subsequent localized deformation accurately. The formulation and its algorithmic implementation are described in detail. Numerical results are presented to illustrate the usefulness of this computational framework in the treatment of strain localization under highly dynamic conditions, and to examine its performance characteristics in the context of two-dimensional plane-strain problems.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Integrated proximity, contact and force sensing using elastomer-embedded commodity proximity sensors

Here, we describe a combined proximity, contact and force (PCF) sensor based on a commodity infrared distance sensor embedded in a transparent elastomer with applications in robotic manipulation. Prior to contact, the sensor works as a distance sensor, whereas after contact the elastomer magnifies the near field of the proximity sensors letting the sensor interpret the indentation on elastomer as force. Contact occurs at the transition of proximity and force. We describe in detail the sensor design, its principle of operation and experimentally characterize the design parameters including polymer thickness, its mixing ratio, and emitter current of the infrared sensor. We also show that the sensor response has an inflection point at contact that is independent of an object’s surface properties, making it a robust detector for contact events. We finally demonstrate a series of use cases for the proposed PCF sensor, including (1) improving pre-grasp alignment, (2) determining contact event with objects, (3) obtaining simple 3D point cloud models of objects using both proximity and contact, and (4) registering self-generated point clouds to those from a RGB-D camera using a Baxter robot and Kinova Jaco arm.

42 ENGINEERING↗
DOE OSTI2018

IR Thermographic Analysis of 3D Printed CFRP Reference Samples with Back-Drilled and Embedded Defects

Carbon-fiber composite structures may demonstrate a defective behavior due to manufacturing induced anomalies (delamination, dis-bonds) or service related defectives (impact damage, water ingress). Thus, there is a need for a relatively fast and low cost non-intrusive testing schemes such as infrared thermography (IRT). Still, thermography testing requires calibrated samples and coupons to yield best results. The presented research demonstrates the novel use of 3D printing technology to generate IRT calibration samples. In this text, two carbon fiber reinforced polymer samples are 3D printed; the first mimics a 'back-drilled holes' type coupons, while the other is designed to embed air pockets similar to Teflon inserts. The generated samples are then tested using two IRT modalities; namely pulse thermography and lock-in thermography. Furthermore, the resulted thermograms are processed using a principle component analysis, to help highlight the variance of defectives in a consistent manner among the samples. This research findings offer insights on the variation of detectability between embedded and back-printed samples, which might be due to the inserts thickness.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Effect of Varying Filler Concentration on Zinc Oxide Nanoparticle Embedded Chitosan Films as Potential Food Packaging Material

Prevailing scenario of non-biodegradable food packaging materials worldwide was the motivation for this research. More than half of the packaging materials used today are non-biodegradable and lack one or the other feature that keeps it from being an ideal food packaging material. Based on the current need of food grade packaging materials, the present study illustrates the amelioration of the properties of biodegradable chitosan films with the incorporation of zinc oxide (ZnO) nanoparticles in varying concentration. The ZnO nanoparticles (ZnONPs) used as fillers in the chitosan films were synthesized by supersaturation method. They were characterized using UV–visible spectrophotometry, X-ray diffraction and field emission scanning electron microscopy (FE-SEM). The particles were observed to be around 100–200 nm in size. The chitosan films with varying concentration of ZnONPs were synthesized and characterized using Fourier transform infrared spectroscopy and FE-SEM. The films were studied for their thermal stability, water vapor transmission rate (WVTR) and mechanical properties. The thermal stability, as determined by Thermo Gravimetric Analysis and Differential Scanning Calorimetry increased slightly with increasing percentage of embedded ZnONPs while a substantial decrease in WVTR was observed. Mechanical properties also showed improvements with 77% increment in tensile modulus and 67% increment in tensile strength. The antimicrobial activity of the films was also studied on gram positive bacterium Bacillus subtilis (B. subtilis) and gram negative bacterium Escherichia coli (E. coli) by serial dilution method. A twofold and 1.5-fold increment in the antimicrobial activity was observed for B. subtilis and E. coli, respectively, with increased ZnONPs concentration in the films from 0(w/w) to 2%(w/w). Films thus prepared can prove to be of immense potential in the near future for antimicrobial food packaging applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Shallow Embedded Strain Measurements and Analysis for a NbTi Superconducting Sextupole Coil During Cooling, Excitation, and Quench

The present study deals with strain measurements and their numerical analysis for a niobium titanium wire wounded superconducting sextupole coil in a multi-field operation environment, including cooling down, excitation, and quench. Four low-temperature resistance strain gauges with designed compensation circuits were affixed directly on the surface of the superconducting wires but within glass fiber cloth. Before the sextuple coil’s test was carried out, for the purpose of reliability, based on the designed compensation circuit, some basic experiments were carried out during cooling down, excitation, and quench. The experimental results showed that the shallow embedded low-temperature resistance strain gauges were still highly reproducible with an error of 1% for a variable magnetic field and an error of 5% for a variable thermal field by executing various modes. It shows multi-stage strain monitoring is feasible for the superconducting sextupole. In addition, a numerical multiphysics model for the sextuple coil is also built from Maxwell’s equations and the equilibrium equations for mechanical and thermal deformation. A self-tested elastic modulus of NbTi/Cu stack with epoxy, which is cut from a NbTi/Cu sextupole prototype, at low temperature is used in this simulation. The numerical results have reasonable agreement with the experimental observations and show the multiphysics model with self-tested elastic modulus can be applied to analysis strain behaviors under complicated fields before superconducting magnet assembly. The present results will also provide some strain-measuring technology and multiphysics numerical analysis on an LTS/HTS superconducting magnet developed at the Institute of Modern Physics, Chinese Academy of Sciences (IMP, CAS).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

On the Morse Index for Geodesic Lines on Smooth Surfaces Embedded in ℝ{sup 3}

The paper is devoted to the calculation of the Morse index on geodesic lines upon smooth surfaces embedded into the 3D Euclidean space. The interest in this theme is created by the fact that the wave field composed of the surface waves slides along the boundaries guided by the geodesic lines, which, generally speaking, give birth to numerous caustics. The same circumstance takes place in problems of the short-wave diffraction by 3D bodies in the shadowed part of the surface of the body, where the creeping waves arise. Two types of geodesic flows are considered upon the surface when they are generated by a point source and by an initial wave front, for instance, by the light-shadow boundary in the short-wave diffraction by a smooth convex body. The position of the points where geodesic lines meet caustics, i.e., focal points, is found and it is proved that all focal points are simple (not multiple) irrespective of the geometric structure of the caustics arisen. The mathematical techniques in use are based on the complexification of the geometrical spreading problem for a geodesics/rays tube.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Passively Q-switched erbium-doped fiber laser using quantum dots CdSe embedded in polymer film as saturable absorber

We demonstrate a passively Q-switched erbium doped fiber laser (EDFL) based on quantum dots (QD) CdSe as a saturable absorber (SA). The synthesized CdSe powder was embedded into a poly(methyl methacrylate) (PMMA) using emulsion polymerization process. The film is sandwiched between two fiber connector via an adapter to form a fiber-compatible SA device. By integrating the SA device into the EDFL ring cavity, the stable Q-switched operation is achieved at 1559.35 nm as the pump power is varied within 30–118 mW. The laser has a pump threshold of 20.4 mW. The pulse repetition rate shows an increasing trend from 33.2 to 68.45 kHz, whereas the pulse width exhibits a decreasing trend from 10.04 to 4.30 μs as the pump power is increased from 30 to 118 mW. The highest pulse energy of 11.83 nJ is obtained at a pump power of 118 mW. These results indicate that QD CdSe is a promising SA for Q-switching laser operation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Atomistic understanding of interdependence of crystal growth of two seeds embedded in glass

Recent results showed that during growth, a crystal seed embedded in glass experiences nonuniform forces from the host matrix. This result raised the possibility that during devitrification of glass, the growth of a crystal can be affected by the presence of neighboring crystals. To investigate the nature of any such interdependence of growth of neighboring crystals, atomic scale morphology of two seeds growing in a glass matrix was simulated as a function of their separation and relative misorientation. The results show a coupled rotation of seeds driven by (1) non-uniform forces from the surrounding glass, and (2) mutual interactions between the seeds. At small separations and low misorientation, each seed rotates toward perfect alignment, ultimately forming a single crystal. The onset and rate of alignment, as well as subsequent crystal growth, are strongly dependent on the growth temperature. In contrast, at larger separations and higher misorientation, the seeds cannot achieve full alignment before coalescing, resulting in polycrystalline structures.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Spatially dependent embedded self-shielding method for nonuniform temperature distribution

The embedded self-shielding method (ESSM) is simple and robust, and applicable to any geometrical configuration to account for resonance self-shielding by performing fixed source transport calculations. ESSM is very similar to the subgroup method, which has been successful in the MPACT neutronics code developed by CASL. The subgroup method introduces errors in a least-squares fitting process that is used to generate subgroup quadrature sets and cannot be applied to thermal energy groups, as ESSM introduces error for spatially dependent self-shielded cross sections inside the fuel. This study focused on integrating the conventional ESSM with an improved Stoker-Weiss method to obtain spatially dependent resonance self-shielded cross sections for a nonuniform fuel temperature distribution. Here, the proposed method would serve as a substitute for the subgroup method in high fidelity simulations using CASL’s VERA. Benchmark results show that this new, spatially dependent ESSM (SDESSM) is an appropriate candidate to replace the subgroup method.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗