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At least 703 records · Page 39

Examining robustness of model selection with half-normal and LASSO plots for unreplicated factorial designs

When there are constraints on resources, an unreplicated factorial or fractional factorial design can allow efficient exploration of numerous factor and interaction effects. A half-normal plot is a common graphical tool used to compare the relative magnitude of effects and to identify important effects from these experiments when no estimate of error from the experiment is available. An alternative is to use a least absolute shrinkage and selection operation plot to examine the pattern of model selection terms from an experiment. We examine how both the half-normal and least absolute shrinkage and selection operation plots are impacted by the absence of individual observations or an outlier, and the robustness of conclusions obtained from these 2 techniques for identifying important effects from factorial experiments. As a result, the methods are illustrated with 2 examples from the literature.

97 MATHEMATICS AND COMPUTING↗

New physics in single resonant top quarks

Abstract Searches for new physics in the top quark sector are of great theoretical interest, yet some powerful avenues for discovery remain unexplored. We characterize the expected statistical power of the LHC dataset to constrain the single production of heavy top partnersTdecaying to a top quark and a photon or a top quark and a gluon. We describe an effective interaction which could generate such production, though the limits apply to a range of theoretical models. We find sensitivity to cross sections in the 10 2 − 10 5 fb range, forTmasses between 300 and 1000 GeV, depending on decay mode.

Physics↗

Right-handed charged currents in the era of the Large Hadron Collider

We discuss the phenomenology of right-handed charged currents in the frame-work of the Standard Model Effective Field Theory, in which they arise due to a single gauge-invariant dimension-six operator. We study the manifestations of the nine complex couplings of the W to right-handed quarks in collider physics, flavor physics, and low-energy precision measurements. We first obtain constraints on the couplings under the assumption that the right-handed operator is the dominant correction to the Standard Model at observable energies. Here, we subsequently study the impact of degeneracies with other Beyond-the-Standard-Model effective interactions and identify observables, both at colliders and low-energy experiments, that would uniquely point to right-handed charged currents.

43 PARTICLE ACCELERATORS↗

Non-isometric codes for the black hole interior from fundamental and effective dynamics

We introduce a new holographic map for encoding black hole interiors by including both fundamental and effective dynamics. This holographic map is constructed by evolving a state in the effective, semiclassical gravity description of the interior backwards in time to pull the degrees of freedom outside the black hole, before evolving forwards in time in the fundamental description. We show this “backwards-forwards” map is equivalent to a post-selection map of the type introduced by Akers, Engelhardt, Harlow, Penington, and Vardhan, and in the case of trivial effective interactions reduces to their model, while providing a suitable generalization when those interactions are nontrivial. We show the map is equivariant with respect to time evolution, and independent of any interactions outside the black hole. This construction includes interactions with an infaller in a way that preserves the unitarity of black hole evolution exactly and does not allow for superpolynomial computational complexity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Statistical framework to assess long-term spatio-temporal climate changes: East River mountainous watershed case study

Abstract Evaluation of long-term temporal and spatial climatic change in mountainous regions is a critical challenge because of the interactive effects of multiple land and climatic factors and processes. Here we present the application of the statistical framework to the assessment of changes of climatic conditions, using data from 17 meteorological stations across the East River watershed near Crested Butte, Colorado, USA, and spanning the period from 1966 to 2021. The framework is developed based on (1) a time-series analysis of daily, monthly, and yearly averaged meteorological parameters (temperature, relative humidity, precipitation, wind speed, etc.), (2) evaluation and time series analysis of potential evapotranspiration (ET o ), actual evapotranspiration (ET), aridity index (AI), standard precipitation index (SPI) and standard precipitation-evapotranspiration index (SPEI), and (3) a temporal-spatial climatic zonation of the studied area based on the hierarchical clustering and PCA analysis of the SPEI, because the SPEI can be considered an integrative characteristic of the changes of climatic conditions. The Budyko model, with the application of the Penman–Monteith equation for the estimation of ET o , was used to determine the ET. The time series analysis of the AI is used to identify the periods with energy limited and water limited conditions. Hierarchical clustering of site locations for the three temporal segments of the SPEI showed a significant temporal-spatial shifts, indicating that dynamic climatic processes drive zonation patterns. Therefore, the watershed climatic zonation requires periodic re-evaluation based on the structural time series analysis of meteorological and water balance data.

54 ENVIRONMENTAL SCIENCES↗

Statistical Optimization of Polyhydroxybutyrate Production by Bacillus Pumilus H9 Using Cow Dung as a Cheap Carbon Source by Response Surface Methodology

A gram positive bacterium (designated strain H9) found to be a potential polyhydroxybutyrate (biodegradable polymer) producer was isolated from the soil samples of a stress prone environment (municipal waste areas). This bacterium was identified as Bacillus pumilus H9 from its morphological, physiological and 16S rRNA gene sequence analysis. A four-factor central composite rotary design was employed to optimize the medium and to find out the interactive effects of four variables, viz. concentrations of cow dung, sucrose, peptone and pH on PHB production. Using response surface methodology, a second-order polynomial equation was obtained by multiple regression analysis and a yield of 2.47 g/L of PHB dry weight was achieved from the optimized medium at pH 7. Here, we report cow dung as a cheap carbon source for the production of PHB. Further, phbA, phbB and phbC genes were amplified by polymerase chain reaction which confirms the bacterium to be able to produce polyhydroxybutyrate.

36 MATERIALS SCIENCE↗

Highly Efficient Removal of Lead Ions from Aqueous Solutions Using Chitosan/Rice Husk Ash/Nano Alumina with a Focus on Optimization by Response Surface Methodology: Isotherm, Kinetic, and Thermodynamic Studies

In the present study, an adsorbent named chitosan/rice husk ash/nano-γ alumina was prepared and used for the removal of lead ions from aqueous solutions. It was characterized by FESEM, FTIR, XRD, and BET. The important and interactive effects of some considered parameters, such as the initial lead ion concentration, pH, adsorbent mass and contact time, were estimated and optimized by using the central composite design (CCD). The Maximum adsorption efficiency of lead ions under optimum conditions, including the pH of 5, adsorbent mass of 0.01 g, the initial lead ion concentration of 30 ppm, and the contact time of 105 min, was achieved to be 90.98%. The adsorption kinetic was consistent with the pseudo-second-order model (R{sup 2} = 0.9967). The lead adsorption isotherms were well fitted to the Langmuir model, indicating the maximum adsorption capacity of 181.82 mg g{sup −1}. Thermodynamic parameters (R{sup 2}: 0.9200, ΔH°: − 22871.81 kJ mol{sup −1}, ΔG{sup °}: − 10.63 kJ mol{sup −1}, and ΔS{sup °}: 118.37 kJ mol{sup −1} K{sup −1}) were calculated and indicating adsorption process was exothermic and spontaneous in the temperature range of 283.15–313.15 k. The maintenance above 70% capacity of the adsorbent was observed by the regeneration study of chitosan/rice husk ash/nano-γ alumina after six cycles. Comparison of adsorption efficiency of the studied adsorbent and other adsorbents in the removal of lead ions was also done in this paper. Consequently, the excellent properties of the presented nanocomposite could make it an ideal adsorbent for the removal of lead ions from aqueous solutions. Graphical Abstract: .

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A behavioral choice model of the use of car-sharing and ride-sourcing services

There are a number of disruptive mobility services that are increasingly finding their way into the marketplace. Two key examples of such services are car-sharing services and ride-sourcing services. In an effort to better understand the influence of various exogenous socio-economic and demographic variables on the frequency of use of ride-sourcing and car-sharing services, this paper presents a bivariate ordered probit model estimated on a survey data set derived from the 2014-2015 Puget Sound Regional Travel Study. Model estimation results show that users of these services tend to be young, well-educated, higher-income, working individuals residing in higher-density areas. There are significant interaction effects reflecting the influence of children and the built environment on disruptive mobility service usage. The model developed in this paper provides key insights into factors affecting market penetration of these services, and can be integrated in larger travel forecasting model systems to better predict the adoption and use of mobility-on-demand services.

30 DIRECT ENERGY CONVERSION↗

Switchgrass and Giant Miscanthus Biomass and Theoretical Ethanol Production from Reclaimed Mine Lands

Switchgrass ( Panicum virgatum L.) and giant miscanthus ( Miscanthus x giganteus Greef & Deuter ex Hodkinson & Renvoize) are productive on marginal lands in the eastern USA, but their productivity and composition have not been compared on mine lands. Our objectives were to compare biomass production, composition, and theoretical ethanol yield (TEY) and production (TEP) of these grasses on a reclaimed mined site. Following 25 years of herbaceous cover, vegetation was killed and plots of switchgrass cultivars Kanlow and BoMaster and miscanthus lines Illinois and MBX-002 were planted in five replications. Annual switchgrass and miscanthus yields averaged 5.8 and 8.9 Mg dry matter ha -1 , respectively, during 2011 to 2015. Cell wall carbohydrate composition was analyzed via near-infrared reflectance spectroscopy with models based on switchgrass or mixed herbaceous samples including switchgrass and miscanthus. Concentrations were higher for glucan and lower for xylan in miscanthus than in switchgrass but TEY did not differ (453 and 450 L Mg -1 , respectively). In response to biomass production, total ethanol production was greater for miscanthus than for switchgrass (5594 vs 3699 L ha -1 ), did not differ between Kanlow and BoMaster switchgrass (3880 and 3517 L ha -1 , respectively), and was higher for MBX-002 than for Illinois miscanthus (6496 vs 4692 L ha -1 ). Relative to the mixed feedstocks model, the switchgrass model slightly underpredicted glucan and slightly overpredicted xylan concentrations. Estimated TEY was slightly lower from the switchgrass model but both models distinguished genotype, year, and interaction effects similarly. In conclusion, biomass productivity and TEP were similar to those from agricultural sites with marginal soils.

09 BIOMASS FUELS↗

Dzyaloshinskii–Moriya solitons in anisotropic ferromagnetic nanowires driven by magnetic field and spin-polarized current

Highlights: •Dzyaloshinskii–Moriya solitons are obtained in anisotropic ferromagnetic nanowires. •The phase diagram is given for types of solitons. •Dzyaloshinskii–Moriya interaction affects the internal structure distortion of solitons. •The roles of Dzyaloshinskii–Moriya interaction are opposite for solitons type I and type II. -- Abstract: We theoretically investigate the Dzyaloshinskii–Moriya solitons driven by the magnetic field and spin-polarized current in anisotropic ferromagnetic nanowires. The external field and Dzyaloshinskii–Moriya interaction determine the formation region of soliton solution and the corresponding phase diagram is given for different types of solitons. The Dzyaloshinskii–Moriya interaction affects the internal structure distortion of solitons which determines the soliton energy. Also, we obtain the critical value of Dzyaloshinskii–Moriya interaction for soliton formation. The roles of Dzyaloshinskii–Moriya interaction effect on the soliton energy are completely opposite for the solitons of type I and type II in ferromagnetic nanowires.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Macroscale Control of Reactivity using 3D Printed Materials with Intrinsic Catalytic Properties

The morphology of heterogeneous catalysts can impact their performance. However, standard manufacturing methods like extrusion or pelleting offer little options for tailoring catalyst shape. Herein, stereolithographic 3D printing is used to produce catalysts with controlled topologies to enhance their performance. A series of magnetic stir-bar compartments (SBC) were 3D printed and tested as catalysts for sucrose hydrolysis. The SBC were printed using acrylic acid (AA) and 1,6-hexanediol diacrylate (HDDA) as acid sites and hydrophobic crosslinking domains, respectively. Variations in the number and tilt direction of the SBC blades produced significant changes in their apparent catalytic activities. These changes resulted from differences in the fraction of active surface effectively interacting with the reactants in solution, as revealed by computational fluid dynamics simulations. Moreover, varying HDDA:AA ratios in SBC regulated reactant-surface interactions to control catalytic activity. Overall, 3D printing catalysts enables quick performance optimization by simultaneously controlling macroscopic structure and molecular composition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Active and stable Pt-Ceria nanowires@silica shell catalyst: Design, formation mechanism and total oxidation of CO and toluene

Cerium oxide is one of the most important rare earth metal oxides in catalysis, however, the sintering problem of noble metals and CeO 2 at higher temperature (e.g., >700 °C) is still unresolved. Herein, Pt nanoparticles self-assembled on ultra-thin CeO 2 nanowires (NWs) and then confined inside a thermally robust porous silica shell (Pt-CeO2NW@SiO 2 ) were introduced. The thickness of CeO 2 NWs was just ~2.0 nm. Moreover, Pt-CeO 2 NW@SiO 2 showed significantly enhanced catalytic performances for total oxidation of CO and toluene. The increased catalytic properties are attributed to the strong metal-support interaction effect between Pt and CeO 2 NWs at sub-nanoscale. Most importantly, the special core-shell structure also affords excellent sintering resistance retention up to 700 °C for 100 h, due to the guarding effect of porous silica shell. Finally, the formation mechanism of Pt-CeO 2 NW@SiO 2 was investigated in detail. Current strategy should inspire many rational designs of rare-earth metal-based nanocatalysts for real-world catalysts.

36 MATERIALS SCIENCE↗

Large-eddy simulation study on cycle-to-cycle variation of knocking combustion in a spark-ignition engine

The cycle-to-cycle variation in the knock intensity is commonly encountered under abnormal combustion conditions. The severity of these abnormal combustion events can vary significantly, and the efficiency of engines at high loads is limited in practice by heavy knocking phenomena. Since, a thorough analysis of such recurrent but non-cyclic phenomena via experiments alone becomes highly cumbersome, in the present work, a multi-cycle large-eddy simulation study was performed to quantitatively predict cyclic variability in the combustion process and cyclic knock intensity variability in a direct injection spark-ignition engine. To account for the turbulence-chemistry interaction effects on flame propagation, the G-equation combustion model was used. Detailed chemistry was solved outside the flame front with a toluene primary reference fuel skeletal kinetic mechanism. For both the mild knock and heavy knock conditions, the numerical results were validated against experimental measurements. Based on the simulation results, a correlation analysis was performed considering combustion phasing, peak cylinder pressure and maximum amplitude of pressure oscillation. Furthermore, a detailed three-dimensional spatial analysis illustrated the evolution of auto-ignition kernel development and propagation of pressure waves during knocking combustion for three typical cycles with different knock intensities. In this process, it was found that an early occurrence of auto-ignition in the end gas was prone to high knock intensity. Although multiple auto-ignition kernels were observed in different cycles, the degree of coupling between chemical heat release and pressure waves varied, thereby leading to different maximum amplitude of pressure oscillation values.

42 ENGINEERING↗

Insights into co-pyrolysis of polyethylene terephthalate and polyamide 6 mixture through experiments, kinetic modeling and machine learning

The non-isothermal pyrolysis of polyethylene terephthalate (PET), polyamide 6 (PA6), and their mixtures was studied in a thermogravimetric analyzer at different heating rates. Temperature of maximum decomposition (T max ) decreased by 25–45 °C and 35–55 °C for the PET:PA6 mixtures (3:1, 1:1, 1:3) compared to PET and PA6, respectively. The kinetic analysis was initially carried out using isoconversional method. However, the dependency of activation energy on conversion was observed for the co-pyrolysis of PET and PA6 that suggested the occurrence of multi-step reactions in the mixtures. Distributed activation energy model (DAEM) was used in this study to describe the multistep reactions occurring during pyrolysis of PET:PA6 mixtures. Here, in this work, a four-parallel reaction DAEM was developed to describe the pyrolysis kinetics of PET:PA6 mixtures. The apparent mean activation energies (E o ) for PET, PA6, and mixtures varied in the range of 244–255, 140–215, and 138–255 kJ mol –1 , respectively. The mass loss profiles of PET and PA6 mixtures were also modeled using artificial neural network (ANN). Out of 155 ANN models, the best prediction was made by ANN511 with R 2 greater than 0.997 for both test and unseen data. The interaction effects observed through TGA experiments and subsequent kinetic analysis were further assessed in terms of product composition using analytical pyrolysis coupled with gas chromatograph/mass spectrometer (Py-GC/MS). Co-pyrolysis of PET and PA6 resulted in the formation of new aromatic compounds with nitrogen-containing functional groups, which were not detected when PET or PA6 were pyrolyzed individually.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NESSi : The N on- E quilibrium S ystems S imulation package

The nonequilibrium dynamics of correlated many-particle systems is of interest in connection with pump–probe experiments on molecular systems and solids, as well as theoretical investigations of transport properties and relaxation processes. Nonequilibrium Green’s functions are a powerful tool to study interaction effects in quantum many-particle systems out of equilibrium, and to extract physically relevant information for the interpretation of experiments. Here, we present the open-source software package NESSi (The Non-Equilibrium Systems Simulation package) which allows to perform many-body dynamics simulations based on Green’s functions on the L-shaped Kadanoff–Baym contour. NESSi contains the library libcntr which implements tools for basic operations on these nonequilibrium Green’s functions, for constructing Feynman diagrams, and for the solution of integral and integro-differential equations involving contour Green’s functions. The library employs a discretization of the Kadanoff–Baym contour into time points and a high-order implementation of integration routines. The total integrated error scales up to $\mathcal{O}(N^{-7})$, which is important since the numerical effort increases at least cubically with the simulation time. A distributed-memory parallelization over reciprocal space allows large-scale simulations of lattice systems. We provide a collection of example programs ranging from dynamics in simple two-level systems to problems relevant in contemporary condensed matter physics, including Hubbard clusters and Hubbard or Holstein lattice models. The libcntr library is the basis of a follow-up software package for nonequilibrium dynamical mean-field theory calculations based on strong-coupling perturbative impurity solvers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

An evaluation of a risk-based environmental regulation in Brazil: Limitations to risk management of hazardous installations

The environmental regulation of hazardous projects with risk-based decision-making processes can lead to a deficient management of human exposure to technological hazards. Such an approach for regulation is criticized for simplifying the complexity of decisions involving the economic, social, and environmental aspects of the installation and operation of hazardous facilities in urban areas. Results of a Brazilian case study indicate that oil and gas transmission pipelines may represent a threat to diverse communities if the relationship between such linear projects and human populations is overlooked by regulatory bodies. Results also corroborate known challenges to the implementation of EIA processes and outline limitations to an effective environmental and risk management. Two preliminary topics are discussed to strengthen similar regulatory practices. Firstly, an effective integration between social impact assessment and risk assessment in EIA processes to have a more comprehensive understanding of the social fabric. Secondly, the advancement of traditional management practices for hazardous installations to pursue a strong transition from assessment and evaluation to management and control and to promote an effective interaction between land-use planning and environmental regulation.

54 ENVIRONMENTAL SCIENCES↗

Quantifying the benefits of a building retrofit using an integrated system approach: A case study

Building retrofits provide a large opportunity to significantly reduce energy consumption in the buildings sector. Traditional building retrofits focus on equipment upgrades, often at the end of equipment life or failure, and result in replacement with marginally improved similar technology and limited energy savings. The Integrated System (IS) retrofit approach enables much greater energy savings by leveraging interactive effects between end use systems, enabling downsized or lower energy technologies. This work presents a case study in Hawaii quantifying the benefits of an IS retrofit approach compared to two traditional retrofit approaches: a Standard Practice of upgrading equipment to meet minimum code requirements, and an Improved Practice of upgrading equipment to a higher efficiency. The IS approach showed an energy savings of 84% over existing building energy use, much higher than the traditional approaches of 13% and 33%. The IS retrofit also demonstrated the greatest energy cost savings potential. While the degree of savings realized from the IS approach will vary by building and climate, these findings indicate that savings on the order of 50% and greater are not possible without an IS approach. It is therefore recommended that the IS approach be universally adopted to achieve deep energy savings.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Road traffic noise, air pollution, and risk of dementia – results from the Betula project

Highlights: • Road traffic noise did not increase risk of dementia in our setting. • Adjusting for noise did not modify the dementia risk associated with NO{sub x}. • We found no interaction effects between noise and NO{sub x} on dementia risk. • Associations in settings where noise exposure exceeds 60 dB can’t be ruled out. There is growing evidence for a negative impact of traffic-related air pollution on risk of dementia. However, the contribution of noise exposure to this association has been rarely examined.

54 ENVIRONMENTAL SCIENCES↗