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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Calorimetry-Derived Composition Vectors to Resolve Component Raman Spectra in Phospholipid Phase Transitions

Multidimensional least squares analysis is a well-established technique for resolving component vibrational spectra from mixed samples or systems. Component resolution of temperature-dependent vibrational spectra is challenging, however, due to the lack of a suitable model for the variation in sample composition with temperature. In this work, analysis of temperature-dependent Raman spectra of lipid membranes is accomplished by using “concentration” vectors independently derived from enthalpy changes determined by differential scanning calorimetry. Specifically, the lipid–bilayer phase transitions of DMPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine) are investigated through Raman spectra acquired from individual, optically trapped vesicles in suspension as a function of temperature. Heat capacity profiles of the same vesicle suspension are measured using differential scanning calorimetry and numerically integrated to generate enthalpy change curves of each phase transition, which are in turn used to construct composition vectors. Multidimensional least squares analysis optimized for a fit to these composition vectors allows resolution of the component spectra corresponding to gel, ripple, and liquid–crystalline phases of the DMPC. The quality of fit of the calorimetry-derived results is confirmed by unstructured residual differences between the data and the model, and a composition variation predicted by the resolved spectra that matches the calorimetry results. Furthermore, this approach to analysis of temperature-dependent spectral data could be readily applied in other areas of materials characterization, where one is seeking to learn about structural changes that occur through temperature-dependent phase transitions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Range of earth structure nonuniqueness implied by body wave observations.

The Herglotz-Wiechert integral for the direct inversion of ray parameter versus distance curves can be manipulated to find the envelope of all possible models consistent with geometrical body wave observations (travel time and ray parameter versus distance). Such an extremal inversion approach has been used to find the uncertainty bounds for the velocity structure in the mantle and core. It is found, for example, that there is an uncertainty of plus or minus 40 km in the radius of the inner core boundary, plus or minus 18 km at the core-mantle boundary, and plus or minus 35 km at the 435-km transition zone. The velocity uncertainty is about plus or minus 0.08 km/sec for P and S waves in the lower mantle and about plus or minus 0.20 km/sec in the core. Experiments with various combinations of ray types in the core indicate that rather crude observations of SKKS-SKS travel times confine the range of possible models far more dramatically than do the most precise estimates of PmKP travel times. Comparisons of results from extremal inversion and linearized perturbation inversions indicate that body wave behavior is too strongly nonlinear for linearized schemes to be effective for predicting uncertainty.

Wiggins, R. A.↗
DOE OSTI2016

Absence of Fast-Moving Iron in an Intermediate Type Ia Supernova Between Normal and Super-Chandrasekhar

In this study, we report observations of a peculiar SN Ia iPTF13asv (a.k.a., SN2013cv) from the onset of the explosion to months after its peak. The early-phase spectra of iPTF13asv show an absence of iron absorption, indicating that synthesized iron elements are confined to low-velocity regions of the ejecta, which, in turn, implies a stratified ejecta structure along the line of sight. Our analysis of iPTF13asv's light curves and spectra shows that it is an intermediate case between normal and super-Chandrasekhar events. On the one hand, its light curve shape (B-band ${\rm{\Delta }}{m}_{15}=1.03\pm 0.01$) and overall spectral features resemble those of normal SNe Ia. On the other hand, its large peak optical and UV luminosity (${M}_{B}=-19.84\;{\rm{mag}}$, ${M}_{{uvm}2}=-15.5\;{\rm{mag}}$) and its low but almost constant Si ii velocities of about 10,000 km s -1 are similar to those in super-Chandrasekhar events, and its persistent carbon signatures in the spectra are weaker than those seen commonly in super-Chandrasekhar events. We estimate a 56 Ni mass of ${0.81}_{-0.18}^{+0.10}{M}_{\odot }$ and a total ejecta mass of ${1.59}_{-0.12}^{+0.45}{M}_{\odot }$. Finally, the large ejecta mass of iPTF13asv and its stratified ejecta structure together seemingly favor a double-degenerate origin.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Focussing Protons from a Kilojoule Laser for Intense Beam Heating using Proximal Target Structures

Proton beams driven by chirped pulse amplified lasers have multi-picosecond duration and can isochorically and volumetrically heat material samples, potentially providing an approach for creating samples of warm dense matter with conditions not present on Earth. Envisioned on a larger scale, they could heat fusion fuel to achieve ignition. We have shown in an experiment that a kilojoule-class, multi-picosecond short pulse laser is particularly effective for heating materials. The proton beam can be focussed via target design to achieve exceptionally high flux, important for the applications mentioned. The laser irradiated spherically curved diamond-like-carbon targets with intensity 4 × 10 18 W/cm 2 , producing proton beams with 3 MeV slope temperature. A Cu witness foil was positioned behind the curved target, and the gap between was either empty or spanned with a structure. With a structured target, the total emission of Cu Kα fluorescence was increased 18 fold and the emission profile was consistent with a tightly focussed beam. Transverse proton radiography probed the target with ps order temporal and 10 μm spatial resolution, revealing the fast-acting focussing electric field. Complementary particle-in-cell simulations show how the structures funnel protons to the tight focus. Here, the beam of protons and neutralizing electrons induce the bright Kα emission observed and heat the Cu to 100 eV.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Focussing Protons from a Kilojoule Laser for Intense Beam Heating Using Proximal Target Structures

Proton beams driven by chirped pulse amplified lasers have multi-picosecond duration and can isochorically and volumetrically heat material samples, potentially providing an approach for creating samples of warm dense matter with conditions not present on Earth. Envisioned on a larger scale, they could heat fusion fuel to achieve ignition. We have shown in an experiment that a kilojoule-class, multi-picosecond short pulse laser is particularly effective for heating materials. The proton beam can be focussed via target design to achieve exceptionally high flux, important for the applications mentioned. The laser irradiated spherically curved diamond-like-carbon targets with intensity 4×10 18 W/cm 2 , producing proton beams with 3MeV slope temperature. A Cu witness foil was positioned behind the curved target, and the gap between was either empty or spanned with a structure. With a structured target, the total emission of Cu Kα fluorescence was increased 18 fold and the emission profile was consistent with a tightly focussed beam. Transverse proton radiography probed the target with ps order temporal and 10 μm spatial resolution, revealing the fast-acting focussing electric field. Complementary particle-in-cell simulations show how the structures funnel protons to the tight focus. The beam of protons and neutralizing electrons induce the bright Kα emission observed and heat the Cu to 100eV.

47 OTHER INSTRUMENTATION↗
NASA NTRS1988

Non-isothermal elastoviscoplastic analysis of planar curved beams

The development of a general mathematical model and solution methodologies, to examine the behavior of thin structural elements such as beams, rings, and arches, subjected to large nonisothermal elastoviscoplastic deformations is presented. Thus, geometric as well as material type nonlinearities of higher order are present in the analysis. For this purpose a complete true abinito rate theory of kinematics and kinetics for thin bodies, without any restriction on the magnitude of the transformation is presented. A previously formulated elasto-thermo-viscoplastic material constitutive law is employed in the analysis. The methodology is demonstrated through three different straight and curved beams problems.

Simitses, G. J.↗
NASA NTRSDate not supplied

Integration of Fatigue R-Curve Effects into VCCT for Durability Predictions, Part 2: Buckled Composite Multi-Stringer Stiffened Panels

Composite structures with hat-stiffened panels have gained traction in modern aircraft because they help reduce weight, increase durability, and provide stability to airframe skins. For weight reduction, skins should be designed to operate in the post-buckling regime. This causes possible interlaminar and intralaminar failure. However, composite panels stiffened with multiple hat-stringers are subject to cyclic loading even in the post-buckling regime. Under the NASA Advanced Composites Project (ACP), composite panels with multiple hatstringers were subject to a cyclic loading sequence from a pre-buckling state to a post-buckling state. This effort aimed to predict interlaminar failure for cyclic compression loading with pre-existent impact-induced damage. This work uses the Abaqus FEA Virtual Crack Closure Technique (VCCT), capabilities enhanced through an empirical method to integrate fatigue R-curve effects (different from R-ratio) into the Paris Law via user-defined subroutine to simulate the fatigue response o

ACP↗
DOE OSTI2018

A mechanical reduced order model for elastomeric 3D printed architectures

Direct ink writing of silicone elastomers enables printing with precise control of porosity and mechanical properties of ordered cellular solids, suitable for shock absorption and stress mitigation applications. With the ability to manipulate structure and feedstock stiffness, the design space becomes challenging to parse to obtain a solution producing a desired mechanical response. We derive an analytical design approach for a specific architecture. Results from finite element simulations and quasi-static mechanical tests of two different parallel strand architectures were analyzed to understand the structure-property relationships under uniaxial compression. Combining effective stiffness-density scaling with least squares optimization of the stress responses yielded general response curves parameterized by resin modulus and strand spacing. An analytical expression of these curves serves as a reduced order model, which, when optimized, provides a rapid design capability for filament-based 3D printed structures. Finally, as a demonstration, the optimal design of a face-centered tetragonal architecture is computed that satisfies prescribed minimum and maximum load constraints.

36 MATERIALS SCIENCE↗
NASA NTRS1983

A revised version of the transfer matrix method to analyze one-dimensional structures

A new and general method to analyze both free and forced vibration characteristics of one-dimensional structures is discussed in this paper. This scheme links for the first time the classical transfer matrix method with the recently developed integrating matrix technique to integrate systems of differential equations. Two alternative approaches to the problem are presented. The first is based upon the lumped parameter model to account for the inertia properties of the structure. The second releases that constraint allowing a more precise description of the physical system. The free vibration of a straight uniform beam under different support conditions is analyzed to test the accuracy of the two models. Finally some results for the free vibration of a 12th order system representing a curved, rotating beam prove that the present method is conveniently extended to more complicated structural dynamics problems.

Nitzsche, F.↗
DOE OSTI2021

Machine learning and algebraic approaches towards complete matter spectra in 4d F-theory

Motivated by engineering vector-like (Higgs) pairs in the spectrum of 4d F-theory compactifications, we combine machine learning and algebraic geometry techniques to analyze line bundle cohomologies on families of holomorphic curves. To quantify jumps of these cohomologies, we first generate 1.8 million pairs of line bundles and curves embedded in dP 3 , for which we compute the cohomologies. A white-box machine learning approach trained on this data provides intuition for jumps due to curve splittings, which we use to construct additional vector-like Higgs-pairs in an F-Theory toy model. We also find that, in order to explain quantitatively the full dataset, further tools from algebraic geometry, in particular Brill-Noether theory, are required. Using these ingredients, we introduce a diagrammatic way to express cohomology jumps across the parameter space of each family of matter curves, which reflects a stratification of the F-theory complex structure moduli space in terms of the vector-like spectrum. Furthermore, these insights provide an algorithmically efficient way to estimate the possible cohomology dimensions across the entire parameter space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Design of Terahertz Bio-Absorber Using Plum Flower Curves

A double peaks bio-absorber, which includes two metal layers and one dielectric layer, is proposed. The surface metal layer of the bio-absorber is a square array that consists of a plum shape metal cell that can produce double resonance absorption. By studying the surface current and electric field z component, the double peak is shown to originate from the two distinct resonance modes of the plum flower curves induced by the incident electromagnetic wave. Due to the symmetrical structure, the proposed bio-absorber is not sensitive to the polarization direction of incident waves and can maintain high absorption rates in a wide, range of angles.

42 ENGINEERING↗
DOE OSTI2019

Influence of Non-magnetic Ti{sup 4+} Ion Doping at Mn Site on Structural, Magnetic, and Magnetocaloric Properties of La{sub 0.5}Pr{sub 0.2}Sr{sub 0.3}Mn{sub 1−x}Ti{sub x}O{sub 3} Manganites (x = 0.0 and 0.1)

Polycrystalline perovskite AMn{sub 1−x}TiO{sub 3} with A = La{sub 0.5}Pr{sub 0.2}Sr{sub 0.3} (x = 0.0 and 0.1) have been prepared using solid-state reaction method. X-ray powder diffraction and Rietveld refinement revealed that all samples crystallize in a rhombohedral structure with space group R 3-bar c From M–T curve, we determined the Curie temperature, where the magnetization value decreases abruptly. The Curie temperature (T{sub C}) decreases from 280 to 123 K when the percentage of Ti increases to 10%. The values of the magnetization M(H) decrease when increasing the Ti content. Moreover, the magnetocaloric effect (MCE) was estimated in terms of isothermal entropy change (−ΔS{sub M}) using the M(T, μ{sub 0}H) data and employing the thermodynamic Maxwell equation. In addition, using a phenomenological model, we determine magnetocaloric effect from the calculation of magnetization as a function of temperature under different external magnetic fields. Also, we can determine the relative cooling power (RCP) and the specific heat which varies from 2.803 to 7.354 J/(kg/K) for the undoped sample from M(T, μ{sub 0}H) data at different magnetic fields theoretically.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A curvature-dependent membrane binding by tyrosine kinase Fer involves an intrinsically disordered region

Highlights: • Tyrosine kinase Fer preferentially binds to highly curved membranes via its FX domain. • An algorithmic search identified an intrinsically disordered region at the carboxy-terminal half of the FX domain. • The intrinsically disordered sequence forms an amphipathic helix upon binding to curved membranes. • Tyrosine kinase activity of Fer is enhanced by the presence of highly curved membranes. • -- Abstract: . Tyrosine kinases are important enzymes that mediate signal transduction at the plasma membrane. While the significance of membrane localization of tyrosine kinases has been well evaluated, the role of membrane curvature in their regulation is unknown. Here, we demonstrate that an intrinsically disordered region in the tyrosine kinase Fer acts as a membrane curvature sensor that preferentially binds to highly curved membranes in vitro. This region forms an amphipathic α-helix upon interaction with curved membranes, aligning hydrophobic residues on one side of the helical structure. Further, the tyrosine kinase activity of Fer is significantly enhanced by the membrane in a manner dependent on curvature. We propose a model for the regulation of Fer based on an intramolecular interaction and the curvature-dependent membrane binding mediated by its intrinsically disordered region.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Ultralow content of Pt on Pd–Co–Cu/C ternary nanoparticles with excellent electrocatalytic activity and durability for the oxygen reduction reaction

Optimizing the utilization of Pt to catalyze the sluggish kinetics of the oxygen reduction reaction (ORR) is of vital importance in proton exchange membrane fuel cells. One of the strategies is to spread Pt atoms over the surface of a substrate to increase the surface area. We report a facile method to synthesize Pd6CoCu@Pt/C core-shell nanoparticles with an ultralow amount of Pt. It was found that Pt-coated layer on Pd6CoCu cores plays a vital role in enhancing the ORR activity and the cycling stability. The half-wave potential of Pd6CoCu@Pt/C positively shifts about 50 mV and 17 mV relative to Pd6CoCu/C and Pt/C, respectively. The Pt mass activity on Pd6CoCu@Pt/C was calculated to be about 27 times higher than that on Pt/C catalysts at 0.9 V. Furthermore, the Pd6CoCu@Pt/C nanoparticles exhibit superior stability with almost no decay for the ORR polarization curves during 10,000 potential cycles and the core-shell structure remains with only a slight increase in the thickness of the Pt overlayer. Our findings provide a methodology for synthesizing highly efficient catalytic materials for the cathodic application in fuel cells.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Geometrical Vortex Lattice Pinning and Melting in YBaCuO Submicron Bridges.

Since the discovery of high-temperature superconductors (HTSs), most efforts of researchers have been focused on the fabrication of superconducting devices capable of immobilizing vortices, hence of operating at enhanced temperatures and magnetic fields. Recent findings that geometric restrictions may induce self-arresting hypervortices recovering the dissipation-free state at high fields and temperatures made superconducting strips a mainstream of superconductivity studies. Here in this paper we report on the geometrical melting of the vortex lattice in a wide YBCO submicron bridge preceded by magnetoresistance (MR) oscillations fingerprinting the underlying regular vortex structure. Combined magnetoresistance measurements and numerical simulations unambiguously relate the resistance oscillations to the penetration of vortex rows with intermediate geometrical pinning and uncover the details of geometrical melting. Our findings offer a reliable and reproducible pathway for controlling vortices in geometrically restricted nanodevices and introduce a novel technique of geometrical spectroscopy, inferring detailed information of the structure of the vortex system through a combined use of MR curves and large-scale simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Electron-bombarded 〈110〉-oriented tungsten tips for stable tunneling electron emission

A clean tungsten (W) tip apex with a robust atomic plane is required for producing a stable tunneling electron emission under strong electric fields. Because a tip apex fabricated from a wire by aqueous chemical etching is covered by impurity layers, heating treatment in ultra-high vacuum is experimentally known to be necessary. However, strong heating frequently melts the tip apex and causes unstable electron emissions. We investigated quantitatively the tip apex and found a useful method to prepare a tip with stable tunneling electron emissions by controlling electron-bombardment heating power. Careful characterizations of the tip structures were performed with combinations of using field emission I–V curves, scanning electron microscopy, X-ray diffraction (transmitted Debye-Scherrer and Laue) with micro-parabola capillary, field ion microscopy, and field emission microscopy. Tips were chemically etched from (1) polycrystalline W wires (grain size ∼1000 nm) and (2) long-time heated W wires (grain size larger than 1 mm). Heating by 10-40 W (10 s) was found to be good enough to remove oxide layers and produced stable electron emission; however, around 60 W (10 s) heating was threshold power to increase the tip radius, typically +10 ± 5 nm (onset of melting). Further, the grain size of ∼1000 nm was necessary to obtain a conical shape tip apex.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Artificial neural network potentials for mechanics and fracture dynamics of two-dimensional crystals **

Understanding the mechanics and failure of materials at the nanoscale is critical for their engineering and applications. The accurate atomistic modeling of brittle failure with crack propagation in covalent crystals requires a quantum mechanics-based description of individual bond-breaking events. Artificial neural network potentials (NNPs) have emerged to overcome the traditional, physics-based modeling tradeoff between accuracy and accessible time and length scales. Previous studies have shown successful applications of NNPs for describing the structure and dynamics of molecular systems and amorphous or liquid phases of materials. However, their application to deformation and failure processes in materials is still uncommon. In this study, we discuss the apparent limitations of NNPs for the description of deformation and fracture under loadings and propose a way to generate and select training data for their employment in simulations of deformation and fracture simulations of crystals. We applied the proposed approach to 2D crystalline graphene, utilizing the density-functional tight-binding method for more efficient and extensive data generation in place of density functional theory. Then, we explored how the data selection affects the accuracy of the developed artificial NNPs. It revealed that NNP’s reliability should not only be measured based on the total energy and atomic force comparisons for reference structures but also utilize comparisons for physical properties, e.g. stress–strain curves and geometric deformation. In sharp contrast to popular reactive bond order potentials, our optimized NNP predicts straight crack propagation in graphene along both armchair and zigzag (ZZ) lattice directions, as well as higher fracture toughness of ZZ edge direction. Our study provides significant insight into crack propagation mechanisms on atomic scales and highlights strategies for NNP developments of broader materials.

2D materials↗
DOE OSTI2016

Magnus-induced dynamics of driven skyrmions on a quasi-one-dimensional periodic substrate

Here we numerically examine driven skyrmions interacting with a periodic quasi-one-dimensional substrate where the driving force is applied either parallel or perpendicular to the substrate periodicity direction. For perpendicular driving, the particles in a purely overdamped system simply slide along the substrate minima; however, for skyrmions where the Magnus force is relevant, we find that a rich variety of dynamics can arise. In the single skyrmion limit, the skyrmion motion is locked along the driving or longitudinal direction for low drives, while at higher drives a transition occurs to a state in which the skyrmion moves both transverse and longitudinal to the driving direction. Within the longitudinally locked phase we find a pronounced speedup effect that occurs when the Magnus force aligns with the external driving force, while at the transition to transverse and longitudinal motion, the skyrmion velocity drops, producing negative differential conductivity. For collectively interacting skyrmion assemblies, the speedup effect is still present and we observe a number of distinct dynamical phases, including a sliding smectic phase, a disordered or moving liquid phase, a moving hexatic phase, and a moving crystal phase. The transitions between the dynamic phases produce distinct features in the structure of the skyrmion lattice and in the velocity-force curves. Lastly, we map these different phases as a function of the ratio of the Magnus term to the dissipative term, the substrate strength, the commensurability ratio, and the magnitude of the driving force.

36 MATERIALS SCIENCE↗