Search NASA⌕ Search

SEARCH · Search NASA

Results for “range decomposition”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Multidisciplinary Design Optimization of Low-Boom Supersonic Aircraft with Mission Constraints

Design of low-boom supersonic aircraft is heavily dictated by aircraft volume and lift distributions. These unique design characteristics make it a challenge to enforce mission requirements (such as static margins and trim requirements) during design optimization. This low-boom design challenge is resolved by using reversed equivalent area targets for low-fidelity low-boom design and a decomposition method for multidisciplinary design optimization(MDO).The corresponding low-boom MDO problem includes aircraft mission constraints for cruise ranges, cruise speeds, trim margin for low-boom cruise, static margins for takeoff/cruise/landing, tail rotation angles for trim at takeoff/landing, takeoff/landing field lengths, and approach velocity, as well as volume constraints for cabin and main landing gear packaging. The decomposition method is developed to optimally resolve the conflicts between the low-boom design objective and other design constraints. The decomposition method is successfully applied to design a low-boom supersonic configuration that carries 40 passengers, has low-boom cruise of Mach 1.6 with range ≥ 2,500 nm, and can also cruise at Mach 1.8 with range ≥ 3,600 nm. The generated configuration satisfies all specified mission constraints and has the potential to achieve a low-boom ground noise level below 75 PLdB.

Wu Li↗
NASA NTRS1999

Advanced Design and Implementation of a Control Architecture for Long Range Autonomous Planetary Rovers

An advanced design and implementation of a Control Architecture for Long Range Autonomous Planetary Rovers is presented using a hierarchical top-down task decomposition, and the common structure of each design is presented based on feedback control theory. Graphical programming is presented as a common intuitive language for the design when a large design team is composed of managers, architecture designers, engineers, programmers, and maintenance personnel. The whole design of the control architecture consists in the classic control concepts of cyclic data processing and event-driven reaction to achieve all the reasoning and behaviors needed. For this purpose, a commercial graphical tool is presented that includes the mentioned control capabilities. Messages queues are used for inter-communication among control functions, allowing Artificial Intelligence (AI) reasoning techniques based on queue manipulation. Experimental results show a highly autonomous control system running in real time on top the JPL micro-rover Rocky 7 controlling simultaneously several robotic devices. This paper validates the sinergy between Artificial Intelligence and classic control concepts in having in advanced Control Architecture for Long Range Autonomous Planetary Rovers.

Martin-Alvarez, A.↗
DOE OSTI2016

The thermal decomposition of the benzyl radical in a heated micro-reactor. II. Pyrolysis of the tropyl radical

Cycloheptatrienyl (tropyl) radical, C{sub 7}H{sub 7}, was cleanly produced in the gas-phase, entrained in He or Ne carrier gas, and subjected to a set of flash-pyrolysis micro-reactors. The pyrolysis products resulting from C{sub 7}H{sub 7} were detected and identified by vacuum ultraviolet photoionization mass spectrometry. Complementary product identification was provided by infrared absorption spectroscopy. Pyrolysis pressures in the micro-reactor were roughly 200 Torr and residence times were approximately 100 μs. Thermal cracking of tropyl radical begins at 1100 K and the products from pyrolysis of C{sub 7}H{sub 7} are only acetylene and cyclopentadienyl radicals. Tropyl radicals do not isomerize to benzyl radicals at reactor temperatures up to 1600 K. Heating samples of either cycloheptatriene or norbornadiene never produced tropyl (C{sub 7}H{sub 7}) radicals but rather only benzyl (C{sub 6}H{sub 5}CH{sub 2}). The thermal decomposition of benzyl radicals has been reconsidered without participation of tropyl radicals. There are at least three distinct pathways for pyrolysis of benzyl radical: the Benson fragmentation, the methyl-phenyl radical, and the bridgehead norbornadienyl radical. These three pathways account for the majority of the products detected following pyrolysis of all of the isotopomers: C{sub 6}H{sub 5}CH{sub 2}, C{sub 6}H{sub 5}CD{sub 2}, C{sub 6}D{sub 5}CH{sub 2}, and C{sub 6}H{sub 5}{sup 13}CH{sub 2}. Analysis of the temperature dependence for the pyrolysis of the isotopic species (C{sub 6}H{sub 5}CD{sub 2}, C{sub 6}D{sub 5}CH{sub 2}, and C{sub 6}H{sub 5}{sup 13}CH{sub 2}) suggests the Benson fragmentation and the norbornadienyl pathways open at reactor temperatures of 1300 K while the methyl-phenyl radical channel becomes active at slightly higher temperatures (1500 K).

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

Investigation of the isoscalar response of 24 Mg to 6 Li scattering

24 Mg is a strongly deformed nucleus in the ground state. Deformation effects can be observed in the structure of the isoscalar giant monopole and quadrupole resonances. 24 Mg is also a nucleus that is well known to present different types of cluster-oscillation modes. Both giant resonances and cluster states are strongly populated by isoscalar transitions. To extract the E0, E1, and E2 transition strengths via 6 Li scattering. The 6 Li probe is a powerful tool for investigating the isoscalar nuclear response with a very favorable ratio of resonance-to-continuum background. Double-differential cross sections of 6 Li inelastic scattering, at the beam energy of 100 MeV/u, were measured in the excitation-energy range 10 – 40 MeV and scattering angles 0 - 3°. A multipole-decomposition analysis was performed for extracting the isoscalar E0 , E1, and E2 strength distributions. Results: The extracted multipole strengths were compared with predictions from consistent quasiparticle random phase approximation calculations. The theoretical predictions are in fair agreement with the experimental data. The E0 strength was also compared with results from antisymmetrized molecular dynamics calculations found in the literature. A few peaks in the experimental data might be associated with clustering in 24 Mg. Ground-state deformation effects were observed in the isoscalar giant monopole resonance (ISGMR) and isoscalar giant quadrupole resonance (ISGQR) distributions. The ISGMR strength is split in two peaks around 19 and 28 MeV. The ISGQR exhibits a pronounced peak at 20 MeV with a broadening at the low-energy region, similar to predictions from microscopic calculations. Signatures of excitation of cluster states were observed in the E0 response. Further studies including particle-decay measurements will be required to confirm the nature of the observed peaks.

20 ≤ A ≤ 38↗
DOE OSTI2024

The Role of Deep Convection and Large-scale Circulation in Driving Model Spread in Low Cloud Feedback and Equilibrium Climate Sensitivity

This project aims to advance the understanding of the processes that drive the large uncertainties in climate change projections, use observations to constrain model physics and reduce the inter-model spread in equilibrium climate sensitivity (ECS). There are three major goals: 1) Characterize the representation of the physical pathways that link deep convection, large-scale circulation and low cloud feedback in CMIP6 model simulations and determine the relative contribution of each pathway to the CMIP6 model spread in low cloud feedback and ECS; 2) Use process-oriented diagnostics and multiple observations to evaluate CMIP6 model performance in capturing the observed cloud-circulation relation and deep convection characteristics including convective transition statistics and the bulk properties of mesoscale convective systems (MCSs). Error decomposition in CMIP6 models will be performed. 3) Conduct E3SM short-range hindcasts following the DOE Cloud-Associated Parameterizations Testbed (CAPT) protocol to pinpoint specific model parameters/processes that are crucial to the representation of deep convection, circulation, clouds and the pathways that connect them. We will modify convective parameters in E3SM and analyze the perturbed physics experiments (PPEs) to isolate model parameters that are critical to the uncertainty of ECS.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

PROACTIVE Focus Area 4: Structured Decision Metrics Analysis (Final Report)

A structured decision metrics analysis was developed as one of the tasks under PROACTIVE’s Focus Area 4 (FA4) and used structured decision metrics for processes, items, and facilities (PIF) to determine the efficacy of an M&V system in meeting treaty goals and technical objectives. The method starts with the functional decomposition of a “treaty” with the M&V system overlaid on it. A Functional Decomposition Rubric (FDR) for each PIF is used to determine a score ranging from 0 (weak) to 4 (strong) for assurance, security, and burden. The individual scores are combined to provide an overall Verification System Score (VSS) which assesses the overall verification system’s suitability given goals; scores for each step of the process are also given. The outcome of the evaluation is to identify needs or modifications to the enterprise model, verification system, or proposed testbed capabilities. VeriScore was used to evaluate FA4’s Spiral 0 exercise; those results are included in this report. The VeriScore and FDR framework can also be used in a non-treaty environment, as any goal/objective/method structure will work, thus expanding its applicability beyond traditional arms control structures.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1997

A Multi-Level Parallelization Concept for High-Fidelity Multi-Block Solvers

The integration of high-fidelity Computational Fluid Dynamics (CFD) analysis tools with the industrial design process benefits greatly from the robust implementations that are transportable across a wide range of computer architectures. In the present work, a hybrid domain-decomposition and parallelization concept was developed and implemented into the widely-used NASA multi-block Computational Fluid Dynamics (CFD) packages implemented in ENSAERO and OVERFLOW. The new parallel solver concept, PENS (Parallel Euler Navier-Stokes Solver), employs both fine and coarse granularity in data partitioning as well as data coalescing to obtain the desired load-balance characteristics on the available computer platforms. This multi-level parallelism implementation itself introduces no changes to the numerical results, hence the original fidelity of the packages are identically preserved. The present implementation uses the Message Passing Interface (MPI) library for interprocessor message passing and memory accessing. By choosing an appropriate combination of the available partitioning and coalescing capabilities only during the execution stage, the PENS solver becomes adaptable to different computer architectures from shared-memory to distributed-memory platforms with varying degrees of parallelism. The PENS implementation on the IBM SP2 distributed memory environment at the NASA Ames Research Center obtains 85 percent scalable parallel performance using fine-grain partitioning of single-block CFD domains using up to 128 wide computational nodes. Multi-block CFD simulations of complete aircraft simulations achieve 75 percent perfect load-balanced executions using data coalescing and the two levels of parallelism. SGI PowerChallenge, SGI Origin 2000, and a cluster of workstations are the other platforms where the robustness of the implementation is tested. The performance behavior on the other computer platforms with a variety of realistic problems will be included as this on-going study progresses.

Hatay, Ferhat F.↗
NASA NTRS2015

Noise Characteristics of a Four-Jet Impingement Device Inside a Broadband Engine Noise Simulator

The noise generation mechanisms for four directly impinging supersonic jets are investigated employing implicit large eddy simulations with a higher-order accurate weighted essentially non-oscillatory shock-capturing scheme. Impinging jet devices are often used as an experimental apparatus to emulate a broadband noise source. Although such devices have been used in many experiments, a detailed investigation of the noise generation mechanisms has not been conducted before. Thus, the underlying physical mechanisms that are responsible for the generation of sound waves are not well understood. The flow field is highly complex and contains a wide range of temporal and spatial scales relevant for noise generation. Proper orthogonal decomposition of the flow field is utilized to characterize the unsteady nature of the flow field involving unsteady shock oscillations, large coherent turbulent flow structures, and the sporadic appearance of vortex tubes in the center of the impingement region. The causality method based on Lighthill's acoustic analogy is applied to link fluctuations of flow quantities inside the source region to the acoustic pressure in the far field. It will be demonstrated that the entropy fluctuation term in the Lighthill's stress tensor plays a vital role in the noise generation process. Consequently, the understanding of the noise generation mechanisms is employed to develop a reduced-order linear acoustic model of the four-jet impingement device. Finally, three linear acoustic FJID models are used as broadband noise sources inside an engine nacelle and the acoustic scattering results are validated against far-field acoustic experimental data.

Broadband↗
DOE OSTI2022

Comparing the shock sensitivity of insensitive energetic materials

We present a tabletop method to study the shock sensitivity of plastic-bonded explosives that are considered shock insensitive using high dynamic range optical emission spectroscopy with laser-launched km/s flyer plate impacts (2, 3, and 4 km/s), which measures the spectral radiance (the emission spectrum vs a calibrated intensity standard) every 0.8 ns in the nanosecond and microsecond regimes. The explosives were TATB (1,3,5 trinitro, 2,4,6 triamino benzene), FOX-7 (1,1-diamino-2,2-dinitroethylene), LLM-105 (2,6-diamino-3,5-dinitropyrazine-1-oxide), and NTO (nitrotriazolone), all with 20% Sylgard 182 binder. Time resolving emission from shocked explosives produces a unique fingerprint at each shock pressure, and the emission temporal profile can be used to understand each material's shock response and the underlying mechanisms within the framework of the well-known shock ignition and growth models. Ignition was characterized by the emission intensity during nanosecond hot spot ignition. The growth process, which occurs after the shock has unloaded, was characterized by the time derivative of microsecond emission intensity. Singular-value decomposition was used to determine a characteristic spectral radiance over the entire time range, and this radiance was fit to a graybody model to determine a characteristic temperature Tc. Even though these insensitive explosives have similar shock sensitivities, our method can clearly distinguish their shock response. FOX-7 and NTO were the most sensitive, with FOX-7 having the greatest shock ignition sensitivity, growth rate, and Tc. LLM-105 was much less sensitive than FOX-7 and NTO, and TATB consistently showed the lowest sensitivity by any measure.

Akhtar, Meysam (ORCID:0000000243897837)↗
DOE OSTI2018

Synthesis of Zirconium Diboride Films and ZrB{sub 2}/BC{sub x}N{sub y} Heterostructures

Using mechanochemical synthesis, we have prepared zirconium borohydride, Zr(BH{sub 4}){sub 4}, as a precursor for ZrB{sub 2} film growth by chemical vapor deposition. We have carried out the thermodynamic modeling of phase formation processes in the Zr–B–(N)–H and Zr–B–(N)–H–O systems in a wide temperature range, from 100 to 2500°C, at various p{sub (H2)}/p{sub (Zr(BH4)4)} and p{sub (NH3)}/p{sub (Zr(BH4)4)} partial pressure ratios in the starting gas mixtures. A process has been proposed for the growth of zirconium diboride films by Zr(BH{sub 4}){sub 4} decomposition using two techniques: chemical vapor deposition and plasma-enhanced chemical vapor deposition. We also developed a process for the growth of multilayer ZrB{sub 2}-and BC{sub x}N{sub y}-based structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The “Who” and “How” of Microbial Control over Soil Carbon Dynamics: a Multi-omics, Stable Isotope Probing, and Modeling Approach

Soils are the largest repository of organic carbon (C) in the terrestrial biosphere and represent an important source of CO 2 to the atmosphere, releasing 60-75 Pg C annually through microbial decomposition of organic materials. Microbes are key drivers of C cycling, and exhibit a large range in C use efficiency (CUE). CUE is the substrate C incorporated into biomass per substrate assimilated. While small changes in CUE can have profound effects on soil CO 2 flux, our understanding of the intersection of genomic and abiotic factors driving soil CUE dynamics is still very limited. Our long-term goal is to better predict the fate of soil C by developing mathematical and ecosystem models of SOM decomposition that incorporate a genetic and physiological understanding of CUE. The goal of this work was to define genes, metabolic pathways, and phylogenetic signals associated with microbial CUE for terrestrial microorganisms (bacteria and fungi). Our specific objectives are to: (1) Define genomic markers that indicate how terrestrial bacteria and fungi change CUE in response to environmental drivers of microbial activity; (2) Determine how well genomic markers identified predict CUE in soils; and (3) Improve predictions of soil C by incorporating genomics-informed CUE into ecosystem C models based on genomic features defined in and validated for soil in the course of this work. We address these objectives by coupling multi-omics analyses (genomics, metatranscriptomics) with physiological assays (CUE, enzyme activities) across environmental drivers (substrate quantity/quality, temperature, moisture). We employ a hierarchical approach to incrementally scale from cells to ecosystems, starting with pure cultures of bacteria and fungi, then mock communities in artificial, organic matter-free soil, then finally field soil manipulated to elicit microbial communities differing in community composition and CUE. By focusing on microbial isolates and communities in a temperate forest (Harvard Forest), we leverage a rich context for validating data based on multiple ongoing field, lab and modeling studies of soil C cycling. This research couples two culture collections of fungi and bacteria isolated from the Harvard Forest, along with over a decade of field measurements of CUE and C cycling, and microbial community analyses using metagenomics and metatranscriptomics. Because microbial feedbacks to the environment are regulated at the organismic level, the foundation of this research is the physiology and genomics of CUE among isolates that we have determined to be either dominant in our soil system, sensitive to climate change factors, or both. A series of three experiments using artificial soil, lab incubation of field-collected soil, and a field manipulation is designed to validate potential omics-informed, novel genomic markers to be used as proxies for CUE in models. We test our new understanding of the genetic basis for CUE and its implications for soil C dynamics using the trait-based model DEMENT and the ecosystem models MIIMICS and SCAMPS. All models are modified to simulate SOM decomposition in mineral soils and validated with other temperate forest climate change manipulation studies. By developing mathematical and ecosystem models of SOM decomposition that incorporate a genetic and physiological understanding of CUE, we hope to facilitate more realistic models of SOM decomposition for C cycling in soils.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Raw Data published in PeerJ, 2021 for Crested Butte decomposition field study 2017-2019.

This data package contains text files that describe geochemical measurements collected from 2017-2019 during isolated conifer needle decomposition field studies in Crested Butte, Colorado. The geochemical measurements were collected across three elevations (2,800–3,500 m) ranging from montane to subalpine ecoregions. The data sets within include total carbon and nitrogen content and fourier-transform infrared spectroscopy (FTIR) results for the initial needles collected in 2016 and after decomposition in 2019. Data collection results from August 2020 are also included from when the experimental plots were removed to understand final concentrations of soil extractable carbon and nitrogen content as well as mass balances from litter bag deployments. Soil porewater results are also provided from 2017-2019 for DOC, TN, UV254, and specific UV absorbance (SUVA) analyses at 15 cm soil depth. Gas flux raw data provides CO2, CH4, N2O, and NH3 measurements above needle decomposition over the three study years. Finally, soil samples for microbial DNA extractions were collected from the upper soil depth. This raw data is available in the NCBI SRA database under SRA accession numbers PRJNA605259 and PRJNA715914. These data sets were generated to investigate the isolated decomposition of spruce and lodgepole conifer needles. The goal of this work was to determine the roles of elevation, soil type, seasonal changes in soil moisture, and snowmelt timing on litter decomposition processes. Results from this work are detailed in the reference paper "Effect of elevation, season and accelerated snowmelt on biogeochemical processes during isolated conifer needle litter decomposition. DOI: 10.7717/peerj.11926."

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Current and future ozone risks to global terrestrial biodiversity and ecosystem processes

Abstract Risks associated with exposure of individual plant species to ozone (O 3 ) are well documented, but implications for terrestrial biodiversity and ecosystem processes have received insufficient attention. This is an important gap because feedbacks to the atmosphere may change as future O 3 levels increase or decrease, depending on air quality and climate policies. Global simulation of O 3 using the Community Earth System Model ( CESM ) revealed that in 2000, about 40% of the Global 200 terrestrial ecoregions ( ER ) were exposed to O 3 above thresholds for ecological risks, with highest exposures in North America and Southern Europe, where there is field evidence of adverse effects of O 3 , and in central Asia. Experimental studies show that O 3 can adversely affect the growth and flowering of plants and alter species composition and richness, although some communities can be resilient. Additional effects include changes in water flux regulation, pollination efficiency, and plant pathogen development. Recent research is unraveling a range of effects belowground, including changes in soil invertebrates, plant litter quantity and quality, decomposition, and nutrient cycling and carbon pools. Changes are likely slow and may take decades to become detectable. CESM simulations for 2050 show that O 3 exposure under emission scenario RCP 8.5 increases in all major biomes and that policies represented in scenario RCP 4.5 do not lead to a general reduction in O 3 risks; rather, 50% of ER s still show an increase in exposure. Although a conceptual model is lacking to extrapolate documented effects to ER s with limited or no local information, and there is uncertainty about interactions with nitrogen input and climate change, the analysis suggests that in many ER s, O 3 risks will persist for biodiversity at different trophic levels, and for a range of ecosystem processes and feedbacks, which deserves more attention when assessing ecological implications of future atmospheric pollution and climate change.

Fuhrer, Jürg↗
DOE OSTI2018

Dimethyl methylphosphonate adsorption and decomposition on MoO 2 as studied by ambient pressure x-ray photoelectron spectroscopy and DFT calculations

Organophosphonates range in their toxicity and are used as pesticides, herbicides, and chemical warfare agents (CWAs). Few laboratories are equipped to handle the most toxic molecules, thus simulants such as dimethyl methylphosphonate (DMMP), are used as a first step in studying adsorption and reactivity on materials. Benchmarked by combined experimental and theoretical studies of simulants, calculations offer an opportunity to understand how molecular interactions with a surface changes upon using a CWA. However, most calculations of DMMP and CWAs on surfaces are limited to adsorption studies on clusters of atoms, which may differ markedly from the behavior on bulk solid-state materials with extended surfaces. We have benchmarked our solid-state periodic calculations of DMMP adsorption and reactivity on MoO 2 with ambient pressure x-ray photoelectron spectroscopy studies (APXPS). Furthermore, DMMP is found to interact strongly with a MoO 2 film, a model system for the MoOxcomponent in the ASZM-TEDA.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Kinetics of the Changes of Thermal Decomposition Spectra of Polybutylmethacrylate–Fullerene C{sub 60} Composite Subjected to Ultraviolet Irradiation

Abstract—The kinetics of ultraviolet induced transformation of polybutylmethacrylate has been described by using thermal decomposition mass-spectra. The enhancement of the neat polymer decomposition at low temperatures is observed in the spectra after low irradiation doses. Further growth of irradiation dose results in the decrease of the total amount of the monomer formed upon thermal decomposition. In the case of the polybutylmethacrylate–fullerene C{sub 60} composite the changes of the spectra are observed in the same range of irradiation doses, however, the spectral shapes and intensities have different response to irradiation compared to neat polymer. The spectral changes are interpreted to be a consequence of binding between fullerene molecule and the products of decomposition of the side ester groups.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Rheology and dynamics of a solvent segregation driven gel (SeedGel)

Bicontinuous structures promise applications in a broad range of research fields, such as energy storage, membrane science, and biomaterials. Kinetically arrested spinodal decomposition is found responsible for stabilizing such structures in different types of materials. A recently developed solvent segregation driven gel (SeedGel) is demonstrated to realize bicontinuous channels thermoreversibly with tunable domain sizes by trapping nanoparticles in a particle domain. As the mechanical properties of SeedGel are very important for its future applications, a model system is characterized by temperature-dependent rheology. The storage modulus shows excellent thermo-reproducibility and interesting temperature dependence with the maximum storage modulus observed at an intermediate temperature range (around 28 °C). SANS measurements are conducted at different temperatures to identify the macroscopic solvent phase separation during the gelation transition, and solvent exchange between solvent and particle domains that is responsible for this behavior. Further, the long-time dynamics of the gel is further studied by X-ray Photon Correlation Spectroscopy (XPCS). The results indicate that particles in the particle domain are in a glassy state and their long-time dynamics are strongly correlated with the temperature dependence of the storage modulus.

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

Partial fillings of the bosonic $E$ 8 quantum Hall state

Here, we study bosonic topological phases constructed from electrons. In addition to a bulk excitation energy gap, these bosonic phases also have a fermion energy gap, below which all local excitations in the bulk and on the edge are even combinations of electrons. We focus on chiral phases, in which all low-energy edge excitations move in the same direction, that arise from the short-range entangled $E_8$ quantum Hall state, the bosonic analog of the filled lowest Landau level of electrons. The $E_8$ edge-state theory features an $E_8$ Kac-Moody symmetry that can be decomposed into ${\cal G}_A \times {\cal G}_B$ subalgebras, such as $SU(3) \times E_6$, $SO(M) \times SO(16-M)$, and $G_2 \times F_4$. (Here, $\{SO(M) \}$, $\{SU(N)\}$, and $\{E_8, G_2, F_4 \}$ denote orthogonal, unitary, and exceptional Lie algebras.) Using these symmetry decompositions, we construct exactly solvable coupled-wire model Hamiltonians for families of long-range entangled ${\cal G}_A$ or ${\cal G}_B$ bosonic fractional quantum Hall states that "partially fill" the $E_8$ state and are pairwise related by a generalized particle-hole symmetry. These long-range entangled states feature either Abelian or non-Abelian topological order. Some support the emergence of non-local Dirac and Majorana fermions, Ising anyons, metaplectic anyons, Fibonacci anyons, as well as deconfined $\mathbb{Z}_2$ gauge fluxes and charges.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

On the nature of active sites for formic acid decomposition on gold catalysts

Formic acid decomposition has been studied experimentally on supported gold nanoparticles with strong evidence showing the critical role of gold clusters in the subnanometer range in catalyzing the reaction. However, there is a lack of theoretical studies capable of explaining these experimental observations. In this work, without accounting for support effects, vapor phase formic acid decomposition was studied systematically on sub-nanometric gold clusters from Au 4 to Au 25 , among which several candidate Au clusters were identified as a promising active site model for the Au/SiC catalysts. Combining theoretical and experimental results suggested that the active site on Au/SiC catalysts could be represented by an Au 18 cluster, on which the reaction rates calculated from the microkinetic model closely match the experimentally measured rates. On Au 18 , formic acid decomposition proceeds through the same formate mediated pathway as that on extended Au surfaces (HCOOH → HCOO + H → CO 2 + 2H → CO 2 + H 2 ), with the reaction taking place on a triangular Au 3 site where the reactive Au atoms have a coordination number of 5. Despite the fact that other Au clusters among those studied, including Au17 and Au19 which also expose the same triangular Au 3 site, they were not found to be an accurate representation of the active sites, suggesting an atom-specific activity of gold clusters for formic acid decomposition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗