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At least 973 records · Page 54

CONTROLLED END GAS AUTO IGNITION WITH EXHAUST GAS RECIRCULATION ON A STOICHIOMETRIC, SPARK IGNITED, NATURAL GAS ENGINE

The goal of this study is to address fundamental limitations to achieving diesel-like efficiencies in heavy duty on-highway natural gas (NG) engines. Engine knock and misfire are barriers to pathways leading to higher efficiency engines. This study explores enabling technologies for development of high efficiency stoichiometric, spark ignited, natural gas engines. These include design strategies for fast and stable combustion and higher dilution tolerance. Additionally, advanced control methodologies are implemented to maintain stable operation between knock and misfire limits. To implement controlled end- gas autoignition (C-EGAI) strategies a Combustion Intensity Metric (CIM) is used for ignition control with the use of a Woodward large engine control module (LECM). Tests were conducted using a single cylinder, variable compression ratio, cooperative fuel research (CFR) engine with baseline conditions of 900 RPM, engine load of 800 kPa indicated mean effective pressure (IMEP), and stoichiometric air/fuel ratio. Exhaust gas recirculation (EGR) tests were performed using a custom EGR system that simulates a high pressure EGR loop and can provide a range of EGR rates from 0 to 40%. The experimental measurements included the variance of EGR rate, compression ratio, engine speed, IMEP, and CIM. These five variables were optimized through a Modified Box- Benken design Surface Response Method (RSM), with brake efficiency as the merit function. A positive linear correlation between CIM and f-EGAI was identified. Consequently, CIM was used as the feedback control parameter for C-EGAI. As such, implementation of C-EGAI effectively allowed for the utilization of high EGR rates and CRs, controlling combustion between a narrower gap between knock and lean limits. The change from fixed to parametric ignition timing with CIM targeted select values of f-EGAI with an average coefficient of variance (COV) of peak pressure of 5.4. The RSM efficiency optimization concluded with operational conditions of 1080 RPM, 1150 kPa IMEP, 10.55:1 compression ratio, and 17.8% EGR rate with a brake efficiency of 21.3%. At this optimized point of peak performance, a f-EGAI for C-EGAI was observed at 34.1% heat release due to auto ignition, a knock onset crank angle value of 10.3° aTDC and ignition timing of - 24.7° aTDC. This work has demonstrated that combustion at a fixed f-EGAI can be maintained through advanced ignition control of CIM without experiencing heavy knocking events.

Cooperative Fuel Research Engine, Auto Ignition, E↗

Climate Drives Modeled Forest Carbon Cycling Resistance and Resilience in the Upper Great Lakes Region, USA

Forests dominate the global terrestrial carbon budget, but their ability to continue doing so in the face of a changing climate is uncertain. A key uncertainty is how forests will respond (resistance) and recover from (resilience) to rising levels of disturbance of varying intensities. This knowledge gap can optimally be addressed by integrating manipulative field experiments with ecophysiological modeling. We used the ED-2.2 model to project carbon fluxes for a northern temperate deciduous forest subjected to a real-world disturbance severity manipulation experiment. ED-2.2 was run for 150 years, starting from near bare ground in 1900, and subjected to three disturbance treatments under an ensemble of climate conditions. Both disturbance severity and climate strongly affected carbon fluxes, and interacted with one another. We then calculated metrics of functional ecosystem stability. Modeled gross primary production exhibited a mean resistance of -0.13, -0.23, and -0.42 (unitless) in response to increasing disturbance severity of 45%, 65%, and 85% mortality, respectively; and resilience of 0.002, 0.004, 0.008 (yr-1) respectively. This pattern held true for other carbon fluxes, meaning that in general simulated GPP declined more initially but recovered more quickly from higher mortality. Notably, however, heterotrophic respiration responded more slowly to disturbance, and its highly variable response was affected by different drivers. This work provides insight into how future conditions might affect the functional stability of mature forests in this region under ongoing climate change and changing disturbance regimes.

54 ENVIRONMENTAL SCIENCES↗

Evaluating Gaussian process metamodels and sequential designs for noisy level set estimation

Abstract We consider the problem of learning the level set for which a noisy black-box function exceeds a given threshold. To efficiently reconstruct the level set, we investigate Gaussian process (GP) metamodels. Our focus is on strongly stochastic simulators, in particular with heavy-tailed simulation noise and low signal-to-noise ratio. To guard against noise misspecification, we assess the performance of three variants: (i) GPs with Student- t observations; (ii) Student- t processes (TPs); and (iii) classification GPs modeling the sign of the response. In conjunction with these metamodels, we analyze several acquisition functions for guiding the sequential experimental designs, extending existing stepwise uncertainty reduction criteria to the stochastic contour-finding context. This also motivates our development of (approximate) updating formulas to efficiently compute such acquisition functions. Our schemes are benchmarked by using a variety of synthetic experiments in 1–6 dimensions. We also consider an application of level set estimation for determining the optimal exercise policy of Bermudan options in finance.

97 MATHEMATICS AND COMPUTING↗

Bio-inspired gas sensing: boosting performance with sensor optimization guided by “machine learning”

The performance of existing gas sensors often degrades in field conditions because of the loss of measurement accuracy in the presence of interferences. Thus, new sensing approaches are required with improved sensor selectivity. We are developing a new generation of gas sensors, known as multivariable sensors, that have several independent responses for multi-gas detection with a single sensor. In this study, we analyze the capabilities of natural and fabricated photonic three-dimensional (3-D) nanostructures as sensors for the detection of different gaseous species, such as vapors and non-condensable gases. We employed bare Morpho butterfly wing scales to control their gas selectivity with different illumination angles. Next, we chemically functionalized Morpho butterfly wing scales with a fluorinated silane to boost the response of these nanostructures to the vapors of interest and to suppress the response to ambient humidity. Further, we followed our previously developed design rules for sensing nanostructures and fabricated bioinspired inorganic 3-D nanostructures to achieve functionality beyond natural Morpho scales. These fabricated nanostructures have embedded catalytically active gold nanoparticles to operate at high temperatures of ≈300 °C for the detection of gases for solid oxide fuel cell (SOFC) applications. Our performance advances in the detection of multiple gaseous species with specific nanostructure designs were achieved by coupling the spectral responses of these nanostructures with machine learning (a.k.a. multivariate analysis, chemometrics) tools. Our newly acquired knowledge from studies of these natural and fabricated inorganic nanostructures coupled with machine learning data analytics allowed us to advance our design rules for sensing nanostructures toward the required gas selectivity for numerous gas monitoring scenarios at room and high temperatures for industrial, environmental, and other applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamics of vacancy-induced modes in the non-Abelian Kitaev spin liquid

Here, we study the dynamical response of vacancy-induced quasiparticle excitations in the site-diluted Kitaev spin liquid with a magnetic field. Due to the flux-binding effect and the emergence of dangling Majorana fermions around each spin vacancy, the low-energy physics is governed by a set of vacancy-induced quasi-zero-energy modes. These localized modes result in unique characteristics of the dynamical spin correlation functions, which intriguingly mimic the single-quasiparticle density of states and further exhibit a quasi-zero-frequency peak. By recognizing the potential observability of these local correlation functions via scanning tunneling microscopy (STM), we show how the STM response is sensitive to the local flux configuration, the magnetic field strength, and the vacancy concentration. Constructing a simple model of the localized modes, we also elucidate how the local correlation functions can be interpreted in terms of the hybridization between these modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Informing Robust Functional Relationship Benchmarks: An Evaluation of the Temperature Sensitivity of Ecosystem Respiration Across the Arctic-Boreal Region

During land model development, simulated carbon dynamics are often benchmarked against observational data sets to evaluate model performance. Functional relationship benchmarks are the relationship between a driving variable (e.g., temperature) and a response variable (e.g., ecosystem respiration) and are a promising tool for assessing model performance by evaluating modeled sensitivities to changing environmental conditions. However, observed functional relationships can be influenced by choices made during data collection and throughout the benchmarking process, impacting the inferred skill of land models. To avoid misrepresenting a model's true performance, it is necessary to systematically evaluate best practices when constructing functional relationship benchmarks. We developed a set of guidelines for constructing functional relationship benchmarks, considering the choice of data set, number of daily observations, temporal extent, and temporal resolution across Alaska and Canada over a 20-year period from 2001 to 2020. The temperature sensitivity of ecosystem respiration from observations, evaluated through an apparent Q 10 , is highly variable both spatially and as a result of the data processing approach applied in the benchmark formation. When benchmarking 13 models from the Warming Permafrost Model Intercomparison Project (WrPMIP), the range in inferred model skill is substantially impacted by the choices applied in constructing functional relationship benchmarks. The inferred performance of a given model is most sensitive to the number of daily observations and temporal extent, followed by choice of benchmark data set and temporal averaging. Results from this analysis can guide the development of consistent and robust functional relationships for future model evaluation studies.

Poe, Jeralyn [Northern Arizona University, Flagsta↗

Ionic Polymers Under Dynamic Conditions

Combining neutron scattering tools and exascale molecular dynamics simulations, research was carried out to resolve the structure and motion of ionic polymers under dynamic conditions. Ionizable polymers constitute a key component in current and potential transformative lightweight energy generation and storage devices. However, the inherent segregation of these polymers to ionic clusters and non-ionic domains, or clusters, that on one hand enables their function, confines the dynamics of the polymer chains, leading to the formation of far-from equilibrium states. These non-equilibrium states morph under in situ conditions, affecting the performance-longevity-safety-cost foundation that underlines the use of these polymers. On route to controlling the assemblies of ionizable polymers into stable functional materials, the research focused on a) understanding the inherent confinement of the polymer chains by the ionic clusters and b) resolving of the response of these polymers to flow fields that are integral to the processing and function of these macromolecules.

36 MATERIALS SCIENCE↗

Chasing the multi-modal plasma response in MAST-U

Abstract Achieving edge localized modes (ELMs) suppression in spherical tokamaks by applying resonant magnetic perturbations (RMPs) has proven challenging. The poloidal spectrum of the applied RMP is a key parameter that has an impact on the capability to mitigate and eventually suppress ELMs. In this work the resistive magnetohydrodynamic code MARS-F (Liu et al 2000 Phys. Plasmas 7 3681) is used to evaluate the possibility of directly measuring the plasma response in MAST-U, and particularly its variation as function of the applied poloidal spectrum, in order to guide the experimental validation of the predicted best RMP configuration for ELM suppression. Toroidal mode number n = 2 RMP is considered to minimize the presence of sidebands, and to avoid the deleterious core coupling of n = 1. Singular Value Decomposition is used to highlight linearly independent structures in the simulated magnetic 3D fields and how those structures can be measured at the wall where the magnetic sensors are located. Alternative ways to measure the multimodal plasma response and how they can be used to infer the best RMP configuration to achieve ELM suppression are also presented, including the plasma displacement and the 3D footprints at the divertor plates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Photometry, Centroid and Point-spread Function Measurements in the LSST Camera Focal Plane Using Artificial Stars

Abstract The Vera C. Rubin Observatory’s LSST Camera (LSSTCam) pixel response has been characterized using laboratory measurements with a grid of artificial stars. We quantify the contributions to photometry, centroid, point-spread function size, and shape measurement errors due to small anomalies in the LSSTCam CCDs. The main sources of those anomalies are quantum efficiency variations and pixel area variations induced by the amplifier segmentation boundaries and “tree-rings”—circular variations in silicon doping concentration. This laboratory study using artificial stars projected on the sensors shows overall small effects. The residual effects on point-spread function (PSF) size and shape are below 0.1%, meeting the ten-year LSST survey science requirements. However, the CCD mid-line presents distortions that can have a moderate impact on PSF measurements. This feature can be avoided by masking the affected regions. Effects of tree-rings are observed on centroids and PSFs of the artificial stars and the nature of the effect is confirmed by a study of the flat-field response. Nevertheless, further studies of the full-focal plane with stellar data should more completely probe variations and might reveal new features, e.g., wavelength-dependent effects. The results of this study can be used as a guide for the on-sky operation of LSSTCam.

79 ASTRONOMY AND ASTROPHYSICS↗

On the Sampling-Based Computation of Nash Equilibria Under Uncertainty via the Nikaido–Isoda Function

We consider the computation of an equilibrium of a stochastic Nash equilibrium problem, where the player objectives are assumed to be L 0 -Lipschitz continuous and convex, given rival decisions with convex and closed player-specific feasibility sets. To address this problem, we consider minimizing a suitably defined value function defined using the Nikaido–Isoda function. Such an avenue does not necessitate either monotonicity properties of the concatenated gradient map or potentiality requirements on the game but does require a suitable regularity requirement under which a stationary point is a Nash equilibrium. We design and analyze a sampling-enabled projected-gradient-response method, reliant on inexact resolution of a player-level best-response subproblem. Here, by deriving suitable Lipschitzian guarantees on the value function, we derive both asymptotic guarantees for the sequence of generated iterates as well as rate and complexity guarantees for computing a stationary point by appropriate choices of the sampling rate and inexactness sequence.

Nikaido-Isoda function↗

Mechanistic Modeling of Creep and Aging for Time Extrapolation in LPBF 316 SS - LANL

A polycrystal constitutive model was extended to quantify the effects heterogeneity in the microstructure, porosity, and internal stresses on the mechanical response (creep, tensile) of 316H steel processed by additive manufacturing. The starting point is a recently developed and fully calibrated advanced microstructuresensitive mechanistic constitutive model fit to literature data pertaining to conventionally processed steels. The model is embedded within the full field fast Fourier transform framework (LApx) and several hundred simulations were performed. Synthetic microstructures with different grain aspect ratios were generated using the Neper package to study the role of grain morphology on the mechanical responses. The effect of initial cell interior dislocation density, cell-wall density, precipitate content, porosity, and internal stresses on creep rates are quantified for different polycrystalline microstructures. The study allowed to prospectively quantify the role of distinct features of the microstructure on the mechanical response under tension and creep loading scenarios. Critically it is found that minor anisotropies in the tensile response of samples, emanating from the aspect ratio of grains correlated into significant differences in creep rate as a function of loading directions. The study also allows to identify initial microstructure porosities below which the materials response only moderately degraded by the initial microstructure.

36 MATERIALS SCIENCE↗

Surface-Functionalized, Two-Dimensional Polymer Electrochromic Layers as Ultrafast, Multi-State Infrared Optical Gates

Electrochromic devices have widespread application potential, but the currently available switching speeds limit broad real-world implementation of this technology. Here, we report surface-engineered two-dimensional polymers with ionophilic pores that offer unprecedented switching speeds in solid-state, two-terminal, electrochromic devices. In particular, we demonstrate that a crystalline donor–acceptor 2DP functionalized with ethylene glycol oligomers exhibits multistate infrared absorption that is 4× faster (t c = 320 ms) with 3× coloration efficiency (491 cm 2 C –1 ) compared to an alkyl functionalized 2DP constructed from the same chromophores. The functionalized nanoporous surfaces enable rapid switching in these materials under either oxidative or reductive conditions, allowing us to access a range of robust, stable optical responses in a single electrochromic layer. These attributes led us to leverage surface-functionalized 2DPs as multistate infrared logic gates. Collectively, this work demonstrates that surface engineering of nanoporous crystalline lattices is a promising approach to co-optimize the electronic and ionic conductivities required to achieve rapidly switchable electrochromic layers. Beyond speed and efficiency, the demonstration of multistate infrared characteristics shows that electrochromic frameworks are useful in integrated optoelectronic circuits. This positions surface-engineered 2DPs as improved electrochromic coatings and a new material platform for photonic information processing and adaptive devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Xenon doping of Liquid Argon in ProtoDUNE Single Phase: first results

Doping Liquid Argon (LAr) with xenon is a known technique to shift the light emitted by argon (128 nm) to a longer wavelength to ease its detection. The largest Xenon doping test ever performed in a LArTPC was carried out in ProtoDUNE Single Phase (ProtoDUNE-SP) at the CERN Neutrino Platform. The response of such a large TPC (7701 of Liquid Argon and 4401 of fiducial mass) has been studied using the ProtoDUNE Photon Detection System (PDS) and a dedicated setup installed before the run. With the first, it was possible to study the light detected in the system as a function of the xenon concentration and to characterise the light collection efficiency with respect to the track position. With the second system it was possible to disentangle the LAr (128 nm) light from the xenon (178 nm) light using two dedicated X-ARAPUCA modules. The run was fully satisfactory, it was possible to measure directly the increase of the xenon light component during doping; furthermore most of the LAr light quenched by impurities was fully recovered even at small Xenon concentration (< 20 ppm in mass). A study of the collected scintillation light as a function of the track position showed an improvement of the detector response uniformity.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Kirigami Engineering—Nanoscale Structures Exhibiting a Range of Controllable 3D Configurations

Abstract Kirigami structures provide a promising approach to transform flat films into 3D complex structures that are difficult to achieve by conventional fabrication approaches. By designing the cutting geometry, it is shown that distinct buckling‐induced out‐of‐plane configurations can be obtained, separated by a sharp transition characterized by a critical geometric dimension of the structures. In situ electron microscopy experiments reveal the effect of the ratio between the in‐plane cut size and film thickness on out‐of‐plane configurations. Moreover, geometrically nonlinear finite element analyses (FEA) accurately predict the out‐of‐plane modes measured experimentally, their transition as a function of cut geometry, and provide the stress–strain response of the kirigami structures. The combined computational–experimental approach and results reported here represent a step forward in the characterization of thin films experiencing buckling‐induced out‐of‐plane shape transformations and provide a path to control 3D configurations of micro‐ and nanoscale buckling‐induced kirigami structures. The out‐of‐plane configurations promise great utility in the creation of micro‐ and nanoscale systems that can harness such structural behavior, such as optical scanning micromirrors, novel actuators, and nanorobotics. This work is of particular significance as the kirigami dimensions approach the sub‐micrometer scale which is challenging to achieve with conventional micro‐electromechanical system technologies.

Zhang, Xu↗

Robust Chemiresistive Behavior in Conductive Polymer/MOF Composites

Metal-organic frameworks (MOFs) are promising materials for gas sensing but are often limited to single-use detection. A hybridization strategy is demonstrated synergistically deploying conductive MOFs (cMOFs) and conductive polymers (cPs) as two complementary mixed ionic-electronic conductors in high-performing stand-alone chemiresistors. This work presents significant improvement in i) sensor recovery kinetics, ii) cycling stability, and iii) dynamic range at room temperature. The effect of hybridization across well-studied cMOFs is demonstrated based on 2,3,6,7,10,11-hexahydroxytriphenylene (HHTP) and 2,3,6,7,10,11-hexaiminotriphenylene (HITP) ligands with varied metal nodes (Co, Cu, Ni). A comprehensive mechanistic study is conducted to relate energy band alignments at the heterojunctions between the MOFs and the polymer with sensing thermodynamics and binding kinetics. The findings reveal that hole enrichment of the cMOF component upon hybridization leads to selective enhancement in desorption kinetics, enabling significantly improved sensor recovery at room temperature, and thus long-term response retention. This mechanism is further supported by density functional theory calculations on sorbate–analyte interactions. It is also found that alloying cPs and cMOFs enables facile thin film co-processing and device integration, potentially unlocking the use of these hybrid conductors in diverse electronic applications.

36 MATERIALS SCIENCE↗

Responding to the US national pollinator plan: a case study in Michigan

The long‐term health of pollinators is a critical issue for the functioning of natural habitats and for agricultural production. In response to widespread public concern about the future of these ecologically and economically important animals, in 2015 the US Government released a national strategy to support pollinators, including research priorities, directives for funding, and timelines for achieving three overarching goals. Five years after this strategic plan was released, we evaluate progress toward the national targets for improved honey bee ( Apis mellifera ) overwintering survival, expanded pollinator habitat, and larger monarch butterfly ( Danaus plexippus ) populations, and find that the three goals of the plan have not yet been reached. Our research and extension programs to improve the health of honey bees, wild bees, and monarch butterflies in the US state of Michigan are described, providing opportunities to contribute to the national pollinator goals.

Bloom, Elias H.↗

Optimal white-noise stochastic forcing for linear models of turbulent channel flow

In the present study an optimisation problem is formulated to determine the forcing of an eddy-viscosity-based linearised Navier–Stokes model in channel flow at $Re_\tau \approx 5200$ ( $Re_\tau$ is the friction Reynolds number), where the forcing is white-in-time and spatially decorrelated. The objective functional is prescribed such that the forcing drives a response to best match a set of velocity spectra from direct numerical simulation (DNS), as well as remaining sufficiently smooth. Strong quantitative agreement is obtained between the velocity spectra from the linear model with optimal forcing and from DNS, but only qualitative agreement between the Reynolds shear stress co-spectra from the model and DNS. The forcing spectra exhibit a level of self-similarity, associated with the primary peak in the velocity spectra, but they also reveal a non-negligible amount of energy spent in phenomenologically mimicking the non-self-similar part of the velocity spectra associated with energy cascade. By exploiting linearity, the effect of the individual forcing components is assessed and the contributions from the Orr mechanism and the lift-up effect are also identified. Finally, the effect of the strength of the eddy viscosity on the optimisation performance is investigated. The inclusion of the eddy viscosity diffusion operator is shown to be essential in modelling of the near-wall features, while still allowing the forcing of the self-similar primary peak. In particular, reducing the strength of the eddy viscosity results in a considerable increase in the near-wall forcing of wall-parallel components.

Mechanics↗

CdSe Magic-Size Clusters Deviate from Nanocrystal-Size Scalings for Ultrafast Intraband Relaxation and Auger Recombination

The cluster regime of colloidal semiconductor quantum dots (QDs) occupies an interesting space on the continuum from molecule to bulk material and allow the study of QD properties at extreme quantum confinement limits. For typical QDs, several size-dependent property trends are well established including intraband relaxation rates and universal scaling of Auger recombination with particle volume. Advances in synthesis now allow isolation of atomically precise semiconductor magic-size clusters (MCs), which offer experimental insight regarding how electronic structure changes with particle size in the ultrasmall limit. Here, we report intraband cooling and Auger recombination for several stable CdSe MCs as a function of particle size and observe deviation from QD response in the cluster regime. We additionally show optical signatures ascribed to transient disordering 2 that appear in the single exciton regime for MCs, which point to complexities regarding their implementation.

Auger recombination↗