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At least 1,675 records · Page 93

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NASA NTRS1999

Near-Surface Flow Fields Deduced Using Correlation Tracking and Time-Distance Analysis

Near-photospheric flow fields on the Sun are deduced using two independent methods applied to the same time series of velocity images observed by SOI-MDI on SOHO. Differences in travel times between f modes entering and leaving each pixel measured using time-distance helioseismology are used to determine sites of supergranular outflows. Alternatively, correlation tracking analysis of mesogranular scales of motion applied to the same time series is used to deduce the near-surface flow field. These two approaches provide the means to assess the patterns and evolution of horizontal flows on supergranular scales even near disk center, which is not feasible with direct line-of-sight Doppler measurements. We find that the locations of the supergranular outflows seen in flow fields generated from correlation tracking coincide well with the locations of the outflows determined from the time-distance analysis, with a mean correlation coefficient after smoothing of bar-r(sub s) = 0.840. Near-surface velocity field measurements can used to study the evolution of the supergranular network, as merging and splitting events are observed to occur in these images. The data consist of one 2048-minute time series of high-resolution (0.6" pixels) line-of-sight velocity images taken by MDI on 1997 January 16-18 at a cadence of one minute.

DeRosa, Marc↗

DOE OSTI2018

Ab Initio Study of Electronic, Magnetic, and Thermoelectric Response of ZTi{sub 2}O{sub 4} (Z = Mg, Zn, and Cd) Through mBJ Potential

The electronic, magnetic, and thermoelectric properties of ZTi{sub 2}O{sub 4} (Z = Mg, Zn, and Cd) spinel oxides are analyzed by applying DFT approach. The band structure (BS) and density of states (DOS) illustrate a ferromagnetic state due to the evident exchange splitting leading to the energy shift in the spin-polarized sub-bands. Furthermore, ferromagnetic state stability is also justified through the computed crystal field, Jahn-Teller, and exchange energies. The exchange energy exceeding the crystal field energy reveals that ferromagnetism is mediated due to electrons, which is also consistent with the computed negative indirect exchange energy. Using BoltzTraP code, thermoelectric investigation illustrate that Mg, Zn, and Cd cations can tune the optimum power factor to intermediate and higher temperatures, which suggests potential energy harvesting applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Creep-fatigue Behavior and Damage Accumulation of a Candidate Structural Material for Concentrating Solar Power Solar Thermal Receiver (Final Technical Report)

Creep-fatigue deformation is an important consideration for a thermal receiver in Concentrating Solar Power systems due to the constant static stress or pressure, diurnal cycling, and elevated service temperatures required for efficient operation. An accurate description of the creep-fatigue behavior, not available for five of the six candidate materials, is important for assessment of preliminary designs. This project has provided a detailed analysis of the creep-fatigue behavior and damage accumulation of Alloy 740H, a candidate structural material for a CSP solar thermal receiver to address a critical knowledge barrier for receiver designs identified in the CSP Gen3 Demonstration Roadmap. This project was divided in to three tasks, split between two general categories: Experimental and design methodology. Tasks 1 and 3, relating to the collection of data on Alloy 740H plate and sheet forms, respectively, were performed at the Idaho National Laboratory and used as input to Task 2, the development of design methodology performed at Argonne National Laboratory. Experimental work covered limited tensile and creep testing to fill gaps in available data that is currently available and to demonstrate how the plate of Alloy 740H tested in this work compared to historical data. A more substantial testing program for fatigue and creep-fatigue was performed, with particular emphasis on creep-fatigue as there is little available data and it is necessary to understand the creep-fatigue interaction and develop related design models. This effort includes the development of rules for the design of solar receiver components against high temperature creep-fatigue and ratcheting failure modes. The ASME Code rules for high temperature nuclear components was used to the basis of the method but adjustments will be made to reflect the generally shorter, diurnal operating cycles of thermal receivers and the relative consequences of failure, comparing nuclear to solar components. This work has provided guidance for the design of components for concentrating power facilities operating at high temperatures and undergoing high, secondary thermal stresses relative to the applied primary pressure stress. The design rules were developed for the design of Generation 3 CSP tubular receivers manufactured from Alloy 740H, but are generally applicable to a wide range of component types undergoing similar loads. Procedural design rules for components to be used in conjunction with the 2019 edition of the ASME Boiler & Pressure Vessel Code and the corresponding design data for Alloy 740H have been developed. A commentary describing the rationale behind the design rules and the data underlying the design material properties, as well as an extensive set of worked sample problems detailing the application of the rules to CSP components were developed as a part of this project, with a separate report covering these aspects in detail and included in the Appendix of this report.

14 SOLAR ENERGY↗

DOE OSTI2024

Novel microbial based enzymatic CO2 fixation mechanisms: Conformational control of enzymatic reactivity

The broad, long-term goal of the research is to provide insight into the mechanism of novel carboxylation and electron bifurcation reactions as paradigms to study how enzyme utilized protein conformational change to protect reactive intermediates and/or control the pathway in a catalytic cycle. catalyzed by enzymes involved in bacterial alkene, ketone, and epoxide metabolism. We are examining two paradigms in which conformational change is a key mechanistic feature of 1) protecting reaction intermediates that are sensitive to breakdown in the presence of water and 2) directing electron flow in reactions that split electron pairs along two pathways in reactions that fine tune metabolic efficiency in microbial metabolism. Both paradigms are of key importance in defining the molecular determinants of reactions relevant to CO 2 capture and fuel upcycling. In the first paradigm the compounds acetone and bicarbonate are activated by the addition of phosphate creating reaction intermediates (phosphoenolacetone and carboxyphosphate) that are very sensitive to breakdown in the presence of water. We are studying the mechanism of how the enzyme protects these reactive intermediates from water by encapsulating them upon their formation within a hydrophobic protein channel leading to an enzyme active site approximately 40 Å away. In the second paradigm, we are examining how the direction of electron transfer reactions can be modulated through protein conformational change that alters either the difference driving force or distance or both between electron transfer pathways in enzymes that catalyze electron bifurcation. We are using a combination of enzyme kinetics, mass spectrometry, spectroscopy, and structural analysis through X-ray diffraction and scattering methods to characterize the mechanism of conformational changes along the catalytic path. Within the context of the mission of the Department of Energy and the core activities of the Energy Biosciences, the results obtained in the study will reveal new insights into the fundamentals of novel carboxylation / CO 2 capture chemical transformations and electron transfer reactions that equate to biological fuel upcycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

A Microporous Metal–Organic Framework Incorporating Both Primary and Secondary Building Units for Splitting Alkane Isomers

We demonstrate the assembly of a mononuclear metal center, a hexanuclear cluster, and a V-shaped, trapezoidal tetracarboxylate linker into a microporous MOF featuring an unprecedented 3-nodal (4,4,8)-c lyu topology. Here, the compound, HIAM-302, represents the first example that incorporates both primary building unit (PBU) and hexanuclear secondary building unit (SBU) in one structure, which should be attributed to the desymmetrized geometry of the organic linker. HIAM-302 possesses optimal pore dimensions and can separate mono-branched and di-branched alkanes through selective molecular sieving, which is of significant value in petrochemical industry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Analytical and numerical demonstration of phase characteristics on two solitons under the influence of third-order dispersion

In the present work, influence of third-order dispersion (TOD) on phase change properties of two-soliton model is numerically and analytically investigated. Using perturbation theory approach and split-step Fourier transform, phase characteristics of two solitons pulse are evolved and solved by nonlinear Schrodinger’s equation. Each phase variation in the form of temporal shift under the base of third-order dispersion is also numerically devoted using the moments equation. As a result, it was found that the shift of soliton pulse mainly depends on third-order dispersion parameter β{sub 3}. With the good agreement between analytical and numerical analysis, the impact of TOD has realized in a single channel telecommunication system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Strong-Field Bloch Electron Interferometry for Band-Structure Retrieval

When Bloch electrons in a solid are exposed to a strong optical field, they are coherently driven in their respective bands where they acquire a quantum phase as the imprint of the band shape. If an electron approaches an avoided crossing formed by two bands, it may be split by undergoing a Landau-Zener transition. We here employ subsequent Landau-Zener transitions to realize strong-field Bloch electron interferometry (SFBEI), allowing us to reveal band structure information. In particular, we measure the Fermi velocity (band slope) of graphene in the vicinity of the K points as 1.07±0.04 nm fs –1 . As a result, we expect SFBEI for band structure retrieval to apply to a wide range of material systems and experimental conditions, making it suitable for studying transient changes in band structure with femtosecond temporal resolution at ambient conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Revisiting Multi-Material Composite Structures with Homogenized Composite Properties

Composite structures inherently develop residual stresses during their curing process. Driven predominately by mismatched thermal strains between differing materials or ply orientations, but also affected by curing process phenomena like polymer shrinkage, these residual stresses can lead to failure within composite structures. There are several methods varying in complexity that can be used to model the development of residual stresses, all of which are capable of capturing sufficient detail to understand the residual stress state at the ply level. However, explicitly modeling all plies of a layup in a composite structure can be prohibitively expensive based on the number of plies, structure size, and required element size. The computational cost can be reduced through the homogenization of the composite layup without losing much fidelity of the overall response of the structure. The homogenization process reduces the many plies of a laminate to a single lamina that reduces complexity and increases the mesh size where a single element can span multiple plies. This report focuses on verification and validation efforts for a homogenization process using a suite of finite element simulations rather than an analytic solution derived from classical laminate theory. Initial verification using representative element volumes indicated there was minimal error in the homogenization process; however, this compounded to a small, but acceptable error in strip and split ring experimental composite structures. The error does under predict the residual stress state in the strip and split ring and should be accounted for when simulating composite structures with homogenized properties.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Experimental Methods Using Force Application of A Single Boom for A 500-M²-Class Solar Sail

Solar sailing missions rely on deployable systems for large area-to-mass ratios once in space, while still being small enough for launcher envelopes in the stowed configuration. Many of these deployable systems feature booms that are flattened and subsequently coiled onto a spool / hub. As part of a collaborative deployable space structures research effort between the National Aeronautics and Space Administration (NASA) and German Aerospace Center (DLR), a boom deployment system for a future 500 m² solar sail has been developed. To achieve the respective solar sail size goal, 16.5-m-long booms produced by NASA were integrated into a DLR-designed deployer mechanism. This considerable size, as well as the lightweight construction of the booms and respective deployable systems makes testing on the ground a significant challenge. Some systems for gravity compensation as well as vertical testing to minimize the influence of gravity have been used in the past. However, an uncertainty factor remains towards the behaviour in the space environment. The focus of this paper is the load application testing of the integrated boom-deployment mechanism system under microgravity condition, as well as a comparison to vertical testing under gravity. Testing in microgravity was performed during a parabolic flight test inside an aircraft and it included stowage and full deployment of a single boom along the longitudinal axis of the aircraft. The load application was split into two categories: static testing, which induced a linear force ramp to the static boom for either compression or compression-bending; and dynamic testing, which applied a constant force to a boom during extension provided by the deployer mechanism. Both types of tests were performed multiple times at two distinct lengths of the boom, fully deployed (12.76 m) and ~28.6 % deployed (3.65 m). More parameters that are vital to the test philosophy are the angles of attack in the force application and the highest force applied. The data acquisition used for the applied load and deflection measurements of the boom is also presented.

Martin Richter↗

NASA NTRSDate not supplied

Experimental Methods Using Force Application of A Single Boom for A 500-M²-Class Solar Sail

Martin Richter↗

DOE OSTI2017

Three-flavour neutrino oscillations with MINOS and CHIPS

MINOS was a long-baseline neutrino oscillation experiment comprising two functionally identical detectors that observed Fermilab's NuMI neutrino beam in its low energy tune, at distances of 1 km and 735 km. When NuMI switched to a higher-power medium energy tune in 2012, the MINOS detectors continued to operate as MINOS+. Since its commissioning in 2003, the MINOS Far Detector has also been able to detect atmospheric neutrinos. Atmospheric neutrino oscillations are sensitive to the mass splitting m2 32 and mixing angle 23, and are also subject to the Matter E ect as the neutrinos pass through the Earth, which a ects neutrinos and antineutrinos di erently in a way that depends upon the mass hierarchy. This thesis presents the rst atmospheric neutrino analysis using data from the MINOS+ era, and the rst dedicated MINOS atmospheric neutrino analysis to use a full three- avour mixing model. It includes 10.79 kiloton years of new data and encompasses almost an entire period of the 11-year solar cycle, from 2003 to 2014. The CHIPS experiment aims to reduce construction costs of large water Cherenkov detectors to $200-300k per kiloton by submerging detectors with a lightweight structure in bodies of water on the surface of the Earth. Such detectors could reach masses of 1 Mton and would assist with the search for CP violation in the neutrino sector by measuring the rate of e appearance in a beam. A detailed reconstruction framework for CHIPS has been developed, incorporating a novel method based on the timing of PMT hits. This framework has been used to study the performance of di erent designs for a 10 kiloton CHIPS R&D module, and to demonstrate that e events can be identi ed in a sparsely-instrumented detector with a 6% coverage of 3" PMTs.

Perch, Andrew John↗

DOE OSTI2022

Electronic and structural properties of RbCe X 2 ( X 2 : O 2 , S 2 , SeS, Se 2 , TeSe, Te 2 )

We report triangular lattice delafossite compounds built from magnetic lanthanide ions are a topic of recent interest due to their frustrated magnetism and realization of quantum disordered magnetic ground states. Here we report the evolution of the structure and electronic ground states of RbCeX 2 compounds, built from a triangular lattice of Ce 3+ ions, upon varying their anion character (X 2 =O 2 , S 2 , SeS, Se 2 , TeSe, Te 2 ). This includes the discovery of a new member of this series, RbCeO 2 , that potentially realizes a quantum disordered ground state analogous to NaYbO 2 . Magnetization and susceptibility measurements reveal that all compounds manifest mean-field antiferromagnetic interactions and, with the exception of the oxide, possess signatures of magnetic correlations onset below 1 K. The crystalline electric field level scheme is explored via neutron scattering and ab initio calculations in order to model the intramultiplet splitting of the J=5/2 multiplet. In addition to the two excited doublets expected within the J=5/2 manifold, we observe one extra local mode present across the sample series. This added mode shifts downward in energy with increasing anion mass and decreasing crystal field strength, suggesting a long-lived anomalous mode endemic to anion motion about the Ce3 + sites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Multifamily Air Leakage Evaluation: A Modular Case Study

The purpose of this case study is to compare the air leakage rates of modular and site-built multifamily dwelling units. The methods, materials, and equipment were observed to be very similar in the modular and site-constructed units in this case study. The installation quality of building envelope measures such as insulation and air barrier appeared to be better for modular construction, because they were installed in a controlled, factory setting. Through field observations, we identified cosmetic damage to the envelope of modular units following transport to the building site, but with no resulting significant air leakage pathways. However, we did see air leakage pathways resulting from field modifications to the envelope of modular units to accommodate structural and mechanical connections. We found that the extensive use of through-wall HVAC systems, combined with the transport, placement, and rework of modular units may compromise the high-quality envelope installation and airtightness observed in the factory without careful planning and/or design. Opportunities for improvement identified from the tested modular dwelling units include minimizing and optimally locating penetrations, pre-cutting and detailing penetrations at the factory where possible, properly sealing field modifications, and using split HVAC systems in place of through-wall packaged systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

Application of adaptive multilevel splitting on coupled neutron-photon TRIPOLI-4{sup R} Monte Carlo simulations - 25427

In the context of radiation protection simulations, the Adaptive Multilevel Splitting (AMS) algorithm is a challenging variance reduction (VR) technique that has been recently investigated in the field of particle transport simulation. It has been implemented in the forthcoming version 11 of the Monte Carlo code TRIPOLI-4{sup R} and successfully tested in neutron-only and photon-only configurations. This paper addresses the application of the AMS algorithm to coupled simulations, and particularly to neutron-photon Monte Carlo calculations. The branching process occurring during the Monte Carlo coupled transport is taken into account in the new coupled-AMS algorithm and is explained in this paper. Two different neutron-photon configurations are then investigated, leading to a comparison of the coupled-AMS algorithm with the analog simulation on the one hand, and with the Exponential Transform (ET) on the other hand, which is the standard VR technique of TRIPOLI-4. Gains up to 30 are obtained in terms of Figure of Merit relatively to the analog simulation, which is about 4 to 6 times more efficient than the ET method for these configurations. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2020

Hyperfine and quadrupole interactions for Dy isotopes in DyPc 2 molecules

Nuclear spin levels play a vital role in understanding magnetization dynamics and implementation and control of quantum bits in lanthanide-based single-molecule magnets. We investigate the hyperfine and nuclear quadrupole interactions for 161 Dy and 163 Dy nuclei in anionic DyPc 2 (Pc=phthalocyanine) single-molecule magnets, using multiconfigurational ab initio methods (beyond density-functional theory) including spin–orbit interaction. The two isotopes of Dy are chosen because the others have zero nuclear spin. Both isotopes have the nuclear spin I =5/2, although the magnitude and sign of the nuclear magnetic moment differ from each other. The large energy gap between the electronic ground and first-excited Kramers doublets, allows us to map the microscopic hyperfine and quadrupole interaction Hamiltonian onto an effective Hamiltonian with an electronic pseudo-spin that corresponds to the ground Kramers doublet. Our ab initio calculations illustrate that the coupling between the nuclear spin and electronic orbital angular momentum contributes the most to the hyperfine interaction and that both the hyperfine and nuclear quadrupole interactions for 161 Dy and 163 Dy nuclei are much smaller than those for the 159 Tb nucleus in TbPc 2 single-molecule magnets. The calculated separations of the electronic-nuclear levels are comparable to experimental data reported for 163 DyPc 2 . We demonstrate that hyperfine interaction for the Dy Kramers ion leads to tunnel splitting (or quantum tunneling of magnetization) at zero field. This effect does not occur for TbPc 2 single-molecule magnets. The magnetic field values of the avoided level crossings for 161 DyPc 2 and 163 DyPc 2 are found to be noticeably different, which can be observed from the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

SOMAFOAM: An OpenFOAM based solver for continuum simulations of low-temperature plasmas

Here, we report the development of SOMAFOAM, a finite volume framework for performing continuum simulations of low-temperature plasmas. The primary goal of this work is to discuss the features of SOMAFOAM along with representative results provided as examples for a range of operating conditions and geometries. This includes plasma and plasma–dielectric systems operating in direct current, radio frequency, and microwave regimes from pressures as low as 100 mTorr to atmospheric pressure. The code has several useful features including the ability to run massively parallel simulations using arbitrary geometries, structured/unstructured meshes, choice of models such as drift–diffusion/full-momentum at runtime, and species-dependent timesteps to name a few. The verification/validation studies presented include comparison with previously published continuum simulations (low-pressure direct current and radio frequency plasma), with experiments (Gaseous Electronics Conference Reference Cell and microwave microplasma ignited in a split ring resonator), and previously published kinetic simulations (low-pressure radio frequency plasma). Other examples provided include a direct current atmospheric pressure microplasma bounded by dielectric sidewalls and a helium–nitrogen plasma ignited using a needle electrode facing a dielectric. The performance of the code is also discussed with serial and distributed memory parallel runs demonstrated up to 512 cores. The design and implementation of the code in a modular object-oriented framework allows for easy extension and seamless coupling with other codes and can be expected to play an important role in both academia and industry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Neutrino mass priors for cosmology from random matrices

Cosmological measurements of structure are placing increasingly strong constraints on the sum of the neutrino masses, Σm ν , through Bayesian inference. Because these constraints depend on the choice for the prior probability π(Σm ν ), we argue that this prior should be motivated by fundamental physical principles rather than the ad hoc choices that are common in the literature. The first step in this direction is to specify the prior directly at the level of the neutrino mass matrix M ν , since this is the parameter appearing in the Lagrangian of the particle physics theory. Thus by specifying a probability distribution over M ν , and by including the known squared mass splittings, we predict a theoretical probability distribution over Σm ν that we interpret as a Bayesian prior probability π(Σm ν ). Assuming a basis-invariant probability distribution on M ν , also known as the anarchy hypothesis, we find that π(Σm ν ) peaks close to the smallest Σm ν allowed by the measured mass splittings, roughly 0.06 eV (0.1 eV) for normal (inverted) ordering, due to the phenomenon of eigenvalue repulsion in random matrices. We consider three models for neutrino mass generation: Dirac, Majorana, and Majorana via the seesaw mechanism; differences in the predicted priors π(Σm ν ) allow for the possibility of having indications about the physical origin of neutrino masses once sufficient experimental sensitivity is achieved. In conclusion, we present fitting functions for π(Σm ν ), which provide a simple means for applying these priors to cosmological constraints on the neutrino masses or marginalizing over their impact on other cosmological parameters.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Front-Surface Potential of Platinized p -InP Photocathodes Probed by Dual-Working-Electrode Measurements

The front-surface potential (E fr ) of p-InP/Pt photocathodes performing the hydrogen-evolution reaction has been probed under operating conditions using a dual-workingelectrode (DWE) method. The DWE data are consistent with expectations for proposed stability mechanisms for p-InP photocathodes. Specifically, E fr for Pt-modified p-InP adopts a value near the reversible hydrogen electrode (RHE) potential, consistent with kinetic suppression of metallic In 0 formation. The data provide a rapid, operando metric of interfacial catalyst activity, and indicate that E fr for the p-InP/Pt junction is governed by surface catalytic kinetics rather than by the applied back-contact potential (E b ).

Catalysts↗