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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 541 records · Page 30

[Ni(cod) 2 ][Al(OR F ) 4 ], a Source for Naked Nickel(I) Chemistry

Abstract The straightforward synthesis of the cationic, purely organometallic Ni I salt [Ni(cod) 2 ] + [Al(OR F ) 4 ] − was realized through a reaction between [Ni(cod) 2 ] and Ag[Al(OR F ) 4 ] (cod=1,5‐cyclooctadiene). Crystal‐structure analysis and EPR, XANES, and cyclic voltammetry studies confirmed the presence of a homoleptic Ni I olefin complex. Weak interactions between the metal center, the ligands, and the anion provide a good starting material for further cationic Ni I complexes.

Schwab, Miriam M.↗

Yukawa sector of minimal SO(10) unification

Here, we show that in SO(10) models, a Yukawa sector consisting of a real 10H, a real 120 H and a complex 126 H of Higgs fields can provide a realistic fit to all fermion masses and mixings, including the neutrino sector. Although the group theory of SO(10) demands that the 10 H and 120 H be real, most constructions complexify these fields and impose symmetries exterior to SO(10) to achieve predictivity. The proposed new framework with real 10H and real 120 H relies only on SO(10) gauge symmetry, and yet has a limited number of Yukawa parameters. Our analysis shows that while there are restrictions on the observables, a good fit to the entire fermion spectrum can be realized. Unification of gauge couplings is achieved with an intermediate scale Pati-Salam gauge symmetry. Proton decay branching ratios are calculable, with the leading decay modes being p→ $\bar{v}$π + and p→ e + π 0 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Revealing Variable Dependences in Hexagonal Boron Nitride Synthesis via Machine Learning

Wafer-scale monolayer two-dimensional (2D) materials have been realized by epitaxial chemical vapor deposition (CVD) in recent years. To scale up the synthesis of 2D materials, a systematic analysis of how the growth dynamics depend on the growth parameters is essential to unravel its mechanisms. However, the studies of CVD-grown 2D materials mostly adopted the control variate method and considered each parameter as an independent variable, which is not comprehensive for 2D materials growth optimization. Herein, we synthesized a representative 2D material, monolayer hexagonal boron nitride (hBN), on single-crystalline Cu (111) by epitaxial chemical vapor deposition and varied the growth parameters to regulate the hBN domain sizes. Furthermore, we explored the correlation between two growth parameters and provided the growth windows for large flake sizes by the Gaussian process. Here, this new analysis approach based on machine learning provides a more comprehensive understanding of the growth mechanism for 2D materials.

36 MATERIALS SCIENCE↗

What dictates soft clay-like lithium superionic conductor formation from rigid salts mixture

Abstract Soft clay-like Li-superionic conductors, integral to realizing all-solid-state batteries, have been recently synthesized by mixing rigid-salts. Here, through computational and experimental analysis, we clarify how a soft clay-like material can be created from a mixture of rigid-salts. Using molecular dynamics simulations with a deep learning-based interatomic potential energy model, we uncover the microscopic features responsible for soft clay-formation from ionic solid mixtures. We find that salt mixtures capable of forming molecular solid units on anion exchange, along with the slow kinetics of such reactions, are key to soft-clay formation. Molecular solid units serve as sites for shear transformation zones, and their inherent softness enables plasticity at low stress. Extended X-ray absorption fine structure spectroscopy confirms the formation of molecular solid units. A general strategy for creating soft clay-like materials from ionic solid mixtures is formulated.

25 ENERGY STORAGE↗

Direct observation of a two-dimensional hole gas at oxide interfaces

The discovery of a two-dimensional electron gas (2DEG) at the LaAlO 3 /SrTiO 3 interface has resulted in the observation of many properties not present in conventional semiconductor heterostructures, and so become a focal point for device applications. Its counterpart, the two-dimensional hole gas (2DHG), is expected to complement the 2DEG. However, although the 2DEG has been widely observed, the 2DHG has proved elusive. Here in this paper we demonstrate a highly mobile 2DHG in epitaxially grown SrTiO 3 /LaAlO 3 /SrTiO 3 heterostructures. Using electrical transport measurements and in-line electron holography, we provide direct evidence of a 2DHG that coexists with a 2DEG at complementary heterointerfaces in the same structure. First-principles calculations, coherent Bragg rod analysis and depth-resolved cathodoluminescence spectroscopy consistently support our finding that to eliminate ionic point defects is key to realizing a 2DHG. Lastly, the coexistence of a 2DEG and a 2DHG in a single oxide heterostructure provides a platform for the exciting physics of confined electron-hole systems and for developing applications.

36 MATERIALS SCIENCE↗

Surface and material analytics based on Dresden-EBIS platform technology

Nowadays widely used mass spectrometry systems utilize energetic ions hitting a sample and sputter material from the surface of a specimen. The generated secondary ions are separated and detected with high mass resolution to determine the target materials constitution. Based on this principle, we present an alternative approach implementing a compact Electron Beam Ion Source (EBIS) in combination with a Liquid Metal Ion Source (LMIS). An LMIS can deliver heavy elements which generate high sputter yields on a target surface. More than 90% of this sputtered material consists of mono- and polyatomic neutrals. These particles are able to penetrate the magnetic field of an EBIS and they will be ionized within the electron beam. A broad spectrum of singly up to highly charged ions can be extracted depending on the operation conditions. Polyatomic ions will decay during the charge-up process. A standard bending magnet or a Wien filter is used to separate the different ion species due to their mass-to-charge ratio. Using different charge states of ions as it is common with EBIS it is also possible to resolve interfering charge-to-mass ratios of only singly charged ions. Different setups for the realization of feeding the electron beam with sputtered atoms of solids will be presented and discussed. As an example the analysis of a copper surface is used to show high-resolution spectra with low background noise. Individual copper isotopes and clusters with different isotope compositions can be resolved at equal atomic numbers. These results are a first step for the development of a new compact low-cost and high-resolution mass spectrometry system. In a more general context, the described technique demonstrates an efficient method for feeding an EBIS with atoms of nearly all solid elements from various solid target materials. The new straightforward design of the presented setup should be of high interest for a broad range of applications in materials research as well as for applications connected to analyzing the biosphere, hydrosphere, lithosphere, cosmosphere and technosphere.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A high pressure x-ray photoelectron spectroscopy experimental method for characterization of solid-liquid interfaces demonstrated with a Li-ion battery system

We report a methodology for a direct investigation of the solid/liquid interface using high pressure x-ray photoelectron spectroscopy (HPXPS). The technique was demonstrated with an electrochemical system represented by a Li-ion battery using a silicon electrode and a liquid electrolyte of LiClO{sub 4} in propylene carbonate (PC) cycled versus metallic lithium. For the first time the presence of a liquid electrolyte was realized using a transfer procedure where the sample was introduced into a 2 mbar N{sub 2} environment in the analysis chamber without an intermediate ultrahigh vacuum (UHV) step in the load lock. The procedure was characterized in detail concerning lateral drop gradients as well as stability of measurement conditions over time. The X-ray photoelectron spectroscopy (XPS) measurements demonstrate that the solid substrate and the liquid electrolyte can be observed simultaneously. The results show that the solid electrolyte interphase (SEI) composition for the wet electrode is stable within the probing time and generally agrees well with traditional UHV studies. Since the methodology can easily be adjusted to various high pressure photoelectron spectroscopy systems, extending the approach towards operando solid/liquid interface studies using liquid electrolytes seems now feasible.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spontaneous topological charging of tactoids in a living nematic

Abstract Living nematic is a realization of an active matter combining a nematic liquid crystal with swimming bacteria. The material exhibits a remarkable tendency towards spatio-temporal self-organization manifested in formation of dynamic textures of self-propelled half-integer topological defects (disclinations). Here we report on the study of such living nematic near normal inclusions, or tactoids, naturally realized in liquid crystals close to the isotropic-nematic (I–N) phase transition. On the basis of the computational analysis, we have established that tactoid’s I–N interface spontaneously acquire negative topological charge which is proportional to the tactoid’s size and depends on the concentration of bacteria. The observed negative charging is attributed to the drastic difference in the mobilities of +1/2 and −1/2 topological defects in active systems. The effect is described in the framework of a kinetic theory for point-like weakly-interacting defects with different mobilities. Our dedicated experiment fully confirmed the theoretical prediction. The results hint into new strategies for control of active matter.

59 BASIC BIOLOGICAL SCIENCES↗

ΛCDM model in f(T) gravity: reconstruction, thermodynamics and stability

We investigate some cosmological features of the ΛCDM model in the framework of the generalized teleparallel theory of gravity f(T) where T denotes the torsion scalar. Its reconstruction is performed giving rise to an integration constant Q and other input parameters according to which we point out more analysis. Thereby, we show that for some values of this constant, the first and second laws of thermodynamics can be realized in the equilibrium description, for the universe with the temperature inside the horizon equal to that at the apparent horizon. Moreover, still within these suitable values of the constant, we show that the model may be stable using the de Sitter and Power-Law cosmological solutions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Chiral-odd generalized parton distributions in the large-𝑁 𝑐 limit of QCD: Spin-flavor structure, polynomiality, and sum rules

We study the nonperturbative properties of the nucleon’s chiral-odd generalized parton distributions (transversity GPDs) in the large-𝑁 𝑐 limit of QCD. This includes the parametric ordering of the spin-flavor components, the polynomiality property of the moments, and the sum rules connecting the GPDs with the tensor form factors. A multipole expansion in the transverse momentum transfer is used to enumerate and interpret the structures in the nucleon matrix element of the chiral-odd partonic operator, including monopole, dipole and quadrupole terms. The 1/𝑁 𝑐 expansion of the GPDs is performed using the abstract mean-field picture of baryons in the large-𝑁 𝑐 limit and its symmetries. We derive a large-𝑁 𝑐 relation between the flavor-nonsinglet GPDs 𝐸$^{𝑢−𝑑}_𝑇$ and $\tilde{𝐻}^{𝑢−𝑑}_𝑇$ and test it with recent lattice QCD results. We show that the polynomiality property and sum rules of the GPDs are fulfilled with the restricted realization of translational and rotational invariance in the mean-field picture. The results provide a basis for the phenomenological analysis of chiral-odd GPDs and hard exclusive processes in the large-𝑁 𝑐 limit, and for calculations in specific dynamical models.

generalized parton distributions↗

Prediction of threefold fermions in a nearly ideal Dirac semimetal BaAgAs

Materials with triply degenerate nodal points in their low-energy electronic spectrum produce crystalline-symmetry-enforced threefold fermions, which conceptually lie between the twofold Weyl and fourfold Dirac fermions. Here, we show how a silver-based Dirac semimetal BaAgAs realizes threefold fermions through our first-principles calculations combined with a low-energy effective k · p model Hamiltonian analysis. In this work, BaAgAs is shown to harbor triply degenerate nodal points, which lie on its C 3 rotation axis, and are protected by the C 6v (C 2 $\otimes$ C 3v ) point-group symmetry in the absence of spin-orbit coupling (SOC) effects. When the SOC is turned on, BaAgAs transitions into a nearly ideal Dirac semimetal state with a pair of Dirac nodes lying on the C 3 rotation axis. We show that breaking inversion symmetry in the BaAgAs 1–x P x alloy yields a clean and tunable threefold fermion semimetal. Systematic relaxation of other symmetries in BaAgAs generates a series of other topological phases. BaAgAs materials thus provide another platform for exploring tunable topological properties associated with a variety of different fermionic excitations.

36 MATERIALS SCIENCE↗

Dynamics of Upward Jets with Newtonian Cooling

The Rayleigh–Taylor instability which is responsible for the occurrence of narrow upward jets is studied in the scope of the nonhydrostatic model with horizontally nonuniform density and the Newtonian cooling. As analysis shows, the total hierarchy of instabilities in this model consists of three regimes—collapse, algebraic instability, and inertial motion. Realization of these stages, mutual transitions, and interference depend on a ratio between two characteristic time scales—collapse time and cooling time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The NSLS-II Control Network Design

The required positioning tolerances are an essential part of the survey and alignment design. The following tables show the requirement of storage ring. Table 1 provides the required global tolerances, while Table 2 outlines the relative tolerances for the NSLS-II girder-to-girder positioning. These tolerances dictate the instruments and methods necessary to obtain the positioning goals. The global tolerance is a little bit relaxed, but the ± 0.10 mm positioning requirement of adjacent girders is rather strict if the larger dimension and probable foundation settlement is considered. control network. Therefore, whether the goals can be obtained is mainly dependent on the performance of control network. The shape of control network defines the global alignment accuracy, while the relative position relationships of monuments determine the relative positioning accuracy between girders. When deciding the strategy of survey and alignment techniques, the instrumentation and approach of light sources have been built and are still in construction are investigated. State-of-the art equipment and methods will be employed. NSLS-II covers an area of about one-eighth of a square kilometer with a radius of ~126 m and a circumference of ~792 m. Depending on the size of the system to be constructed, primary and secondary control networks are required to achieve these tolerances. Primary control network will provide global control for different tunnels, and it should possess a relative point accuracy of better than ± 3 mm for all the storage ring monuments. Secondary control network will direct the alignment of girders in tunnel with the ability to ensure the final ± 0.10 mm positioning accuracy. The experiences from accomplished light source indicate that: for a dimension like NSLS2, primary control network can obtain a point accuracy of better than ± 1 mm easily, while secondary control network can obtain a relative point accuracy of ± 0.08 mm. With this expectation, the tolerance can be achieved for both the global and relative situation. Take the relative positioning requirement as an example, with 2 control network error of ± 0.08 mm, instrument tie-in error of ± 0.04 mm, and residual error of ± 0.04 mm, according to error propagation formula, the final alignment error should be better than ± 0.1 mm. Correspondingly, if a better control network accuracy can be achieved, the requirement for the residuals can be looser. The further alignment accuracy improvement will be realized by a smoothing process to assure the better position relationship between adjacent girders. The following simulation will perform error analysis to evaluate the estimated accuracy of NSLS II control network.

36 MATERIALS SCIENCE↗

Laser Powder Bed Fusion Additive Manufacturing In-Process Monitoring and Optimization Using Thermionic Emission Detection

In this project, the emission of electrons during laser powder bed fusion additive manufacturing was identified and investigated to resolve the underlying dynamics driven by laser-material interactions. Laser powder bed fusion involves the selective laser melting of metal powder particles layer by layer which fuse together forming a larger 3D structure. Laser-based additive manufacturing approaches such as laser powder bed fusion hold the potential to revolutionize manufacturing of complex metal components in the aerospace, medical, and automotive industries. However, the difficulty in producing defect-free components by metal 3D printing is a major hurdle for widespread commercial adoption. This project resolved important dynamics in laser powder bed fusion including the identification of plasma formation mechanisms, transitions between laser-induced melting modes and stochastic precursors to defect formation. These findings were realized through implementation of electronic sensing diagnostics into an existing testbed system and harnessing capabilities developed for the time dependent analysis of laser powder bed fusion datasets. Importantly, the results advance our understanding of laser-material interactions and reveal that detection of thermionic emission can also resolve information critical to optimization of the laser powder bed fusion fabrication process. The findings are critical for advancing our fundamental understanding of the laser powder bed fusion process and can help assure the requisite fidelity of fabricated components.

36 MATERIALS SCIENCE↗

Stratification of Landsat data by clustering

Full realization of the potential advantages of the synoptic coverage provided by Landsat will require the development and use of data analysis techniques which take into account the large variation and diversity of patterns found over many Landsat scenes. Stratification of the scene into units which are internally homogeneous is recommended as a first step in the analysis of data for whole or multiple frames of Landsat data. The use of clustering as an objective and efficient method of dividing scenes into areas which are spectrally similar (strata) is discussed and initial results, including classification performances and comparisons of spectral strata with major physical factors, are presented.

Bauer, M. E.↗

Considerations for automated nap-of-the-earth rotorcraft flight

The authors consider nap-of-the-earth (NOE) rotorcraft flight as one of the applications in which obstacle avoidance plays a key role, and investigate the prospects of automating the guidance functions of NOE flight. Based on a proposed structure for the guidance functions, obstacle detection and obstacle avoidance are identified as the two critical components requiring substantial advancement before an automating guidance system can be realized. The major sources of difficulties in developing these two components are discussed, including sensor requirements for which a systematic analysis is provided.

Cheng, Victor H. L.↗

Adaptation of the ISCCP cloud detection algorithm to combined AVHRR and SMMR arctic data

The International Satellite Cloud Climatology Project (ISCCP) cloud detection algorithm is applied to artic data, and modifications are suggested. Both Advanced Very High Resolution Radiometer (AVHRR) and Scanning Multichannel Microwave Radiometer (SMMR) data are examined. Synthetic AVHRR and SMMR data are also generated. Modifications suggested include the use of snow and ice data sets for the estimation of surface parameters, additional AVHRR channels, and surface class characteristic values when clear sky values cannot be obtained. Greatest improvement in computed cloud fraction is realized over snow and ice surfaces; over other surfaces all versions perform similarly. Since the use of SMMR for surface analysis increases the computational burden, its use may be justified only over snow and ice-covered regions.

Key, J.↗

Computer Programs for Construction

A NASA computer program aids Hudson Engineering Corporation, Houston, Texas in the design and construction of huge petrochemical processing plants like the one shown, which is located at Ju'aymah, Saud Arabia. The pipes handling the flow of chemicals are subject to a variety of stresses, such as weight and variations in temperature. Hudson Engineering uses a COSMIC piping flexibility analysis computer program to analyze and insure the necessary strength and flexibility of the pipes. This program helps the company realize substantial savings in reduced engineering time.

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