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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 721 records · Page 40

Lagrangian large eddy simulations via physics-informed machine learning

High-Reynolds number homogeneous isotropic turbulence (HIT) is fully described within the Navier–Stokes (NS) equations, which are notoriously difficult to solve numerically. Engineers, interested primarily in describing turbulence at a reduced range of resolved scales, have designed heuristics, known as large eddy simulation (LES). LES is described in terms of the temporally evolving Eulerian velocity field defined over a spatial grid with the mean-spacing correspondent to the resolved scale. This classic Eulerian LES depends on assumptions about effects of subgrid scales on the resolved scales. Here, we take an alternative approach and design LES heuristics stated in terms of Lagrangian particles moving with the flow. Our Lagrangian LES, thus L-LES, is described by equations generalizing the weakly compressible smoothed particle hydrodynamics formulation with extended parametric and functional freedom, which is then resolved via Machine Learning training on Lagrangian data from direct numerical simulations of the NS equations. The L-LES model includes physics-informed parameterization and functional form, by combining physics-based parameters and physics-inspired Neural Networks to describe the evolution of turbulence within the resolved range of scales. The subgrid-scale contributions are modeled separately with physical constraints to account for the effects from unresolved scales. We build the resulting model under the differentiable programming framework to facilitate efficient training. We experiment with loss functions of different types, including physics-informed ones accounting for statistics of Lagrangian particles. We show that our L-LES model is capable of reproducing Eulerian and unique Lagrangian turbulence structures and statistics over a range of turbulent Mach numbers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Defining the Direction of Nuclear-Plasma Interaction Research at the National Ignition Facility

Electron-mediated nuclear-plasma interactions (NPIs) have the potential to change nuclear reaction rates in high energy density plasma (HEDP) environments, such as those found in experiments at the National Ignition Facility (NIF), in astrophysical phenomenon, or in nuclear detonations, relative to conventional laboratory measurements on room-temperature targets. Two Discovery Science shots to detect these interactions at the NIF were conducted in January and September 2017 at the conclusion of a campaign to develop the indirect-drive exploding pusher experimental platform and diagnostics. These shots were designed to measure the differential population of a high-spin isomer of 133 Xe of an inplasma versus a control sample, where a non-zero differential would indicate a measurable influence of the plasma on 134 Xe(n,2n) reactions. Preliminary observations from these shots were consistent with a small NPI effect, but improved theoretical understanding coupled with refined data analysis were needed to definitively establish the discovery or lack thereof. Achieving both of these, a statistically-credible NPI was indeed observed at a level predicted by an adapted Monte Carlo gamma-cascade model, a significant lowering by of the isomerto- ground state activity ratio in 133 Xe.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Soft Decision Analyzer

The Soft Decision Analyzer (SDA) is an instrument that combines hardware, firmware, and software to perform realtime closed-loop end-to-end statistical analysis of single- or dual- channel serial digital RF communications systems operating in very low signal-to-noise conditions. As an innovation, the unique SDA capabilities allow it to perform analysis of situations where the receiving communication system slips bits due to low signal-to-noise conditions or experiences constellation rotations resulting in channel polarity in versions or channel assignment swaps. SDA s closed-loop detection allows it to instrument a live system and correlate observations with frame, codeword, and packet losses, as well as Quality of Service (QoS) and Quality of Experience (QoE) events. The SDA s abilities are not confined to performing analysis in low signal-to-noise conditions. Its analysis provides in-depth insight of a communication system s receiver performance in a variety of operating conditions. The SDA incorporates two techniques for identifying slips. The first is an examination of content of the received data stream s relation to the transmitted data content and the second is a direct examination of the receiver s recovered clock signals relative to a reference. Both techniques provide benefits in different ways and allow the communication engineer evaluating test results increased confidence and understanding of receiver performance. Direct examination of data contents is performed by two different data techniques, power correlation or a modified Massey correlation, and can be applied to soft decision data widths 1 to 12 bits wide over a correlation depth ranging from 16 to 512 samples. The SDA detects receiver bit slips within a 4 bits window and can handle systems with up to four quadrants (QPSK, SQPSK, and BPSK systems). The SDA continuously monitors correlation results to characterize slips and quadrant change and is capable of performing analysis even when the receiver under test is subjected to conditions where its performance degrades to high error rates (30 percent or beyond). The design incorporates a number of features, such as watchdog triggers that permit the SDA system to recover from large receiver upsets automatically and continue accumulating performance analysis unaided by operator intervention. This accommodates tests that can last in the order of days in order to gain statistical confidence in results and is also useful for capturing snapshots of rare events.

Steele, Glen↗

Modeling of polychromatic attenuation using computed tomography reconstructed images

This paper presents a procedure for estimating an accurate model of the CT imaging process including spectral effects. As raw projection data are typically unavailable to the end-user, we adopt a post-processing approach that utilizes the reconstructed images themselves. This approach includes errors from x-ray scatter and the nonidealities of the built-in soft tissue correction into the beam characteristics, which is crucial to beam hardening correction algorithms that are designed to be applied directly to CT reconstructed images. We formulate this approach as a quadratic programming problem and propose two different methods, dimension reduction and regularization, to overcome ill conditioning in the model. For the regularization method we use a statistical procedure, Cross Validation, to select the regularization parameter. We have constructed step-wedge phantoms to estimate the effective beam spectrum of a GE CT-I scanner. Using the derived spectrum, we computed the attenuation ratios for the wedge phantoms and found that the worst case modeling error is less than 3% of the corresponding attenuation ratio. We have also built two test (hybrid) phantoms to evaluate the effective spectrum. Based on these test phantoms, we have shown that the effective beam spectrum provides an accurate model for the CT imaging process. Last, we used a simple beam hardening correction experiment to demonstrate the effectiveness of the estimated beam profile for removing beam hardening artifacts. We hope that this estimation procedure will encourage more independent research on beam hardening corrections and will lead to the development of application-specific beam hardening correction algorithms.

NASA Discipline Musculoskeletal↗

Enterprise: a reduced-scale, flexible fuel, single-cylinder crosshead marine diesel research engine

A custom-built 1/10 scale, flexible-fuel, single-cylinder crosshead marine diesel research engine, dubbed the Enterprise, was designed and built as a platform for conducting marine lubricant research. The engine design was focused on maintaining lubricant boundary conditions similar those of full-scale engines. The Enterprise has a rated speed of 625 rpm to match the linear mean piston speed of full-scale marine engines with the reduced stroke and is capable of 18 bar brake mean effective pressure (BMEP). A high-swirl, uniflow-scavenged, two-stroke combustion system was designed to operate on either distillate diesel or heavy fuel oil (HFO). A hydraulic electronic unit injector (HEUI) fuel injection system with two injectors having customized three-hole nozzles provides fueling and is driven by the MAHLE Flexible ECU (MFE). Intake air boost is provided using a variable speed industrial air compressor along with closed-loop electronically controlled pressure regulation. Exhaust backpressure is also controlled electronically using an electro-pneumatic butterfly valve. A customized, miniaturized Hans Jensen Lubetronic cylinder lubrication system, which is capable of delivering 0.88 mg of cylinder oil per lubricator per injection to the ring pack at up to the maximum engine overspeed rating of 656 rpm, was commissioned for the Enterprise. Four independently temperature-controlled cooling zones are used to provide control of the liner temperature profile. The four coolant zones as well as the system oil and cylinder oil supplies are all controlled within 1°C for consistent thermal boundary conditions. The engine is instrumented with an in-cylinder pressure transducer as well as an inline torque transducer and numerous process temperature and pressure measurements to allow for detailed thermodynamic efficiency analysis, and experimental facilities allow for precise measurement of liner wear and characterization of deposits on the piston and rings. A radio telemetry system from IR Telemetrics is used to measure piston crown temperatures during engine operation. Engine design considerations and experimental facilities are described in detail, along with the results of a study investigating the impact of both system oil and cylinder oil viscosity on friction and efficiency. A test matrix was designed to compare base stock chemistries and viscosities for both system and cylinder oils. Experiments were completed using a fuel economy test protocol that was defined, consisting of repeating six speed/load operating conditions. An automated dynamometer control system was implemented to ensure repeatability of the test procedure. Preliminary testing indicated that the coolant, oil, and exhaust temperatures reach a steady state within 5 minutes of changing operating conditions. The system oil viscosity was found to have a significant impact on friction, with a reduction in viscosity from SAE 30 to SAE 20 resulting in over 6% reduction in friction mean effective pressure (FMEP) and over a 2% reduction in brake-specific fuel consumption (BSFC). Chemistry effects were also evident in the system and cylinder oils. Repeatability comparisons between the individual repetitions of each operating condition were used to ensure that results are statistically valid. For the initial cylinder oil viscosity experiments, observed changes were within the established/normal repeatability; ongoing experiments will determine whether improvements in boundary condition control will enable cylinder friction changes of this magnitude to be measured on this engine platform.

Kaul, Brian↗

I/O load balancing for big data HPC applications

High Performance Computing (HPC) big data problems require efficient distributed storage systems. However, at scale, such storage systems often experience load imbalance and resource contention due to two factors: the bursty nature of scientific application I/O; and the complex I/O path that is without centralized arbitration and control. For example, the extant Lustre parallel file system-that supports many HPC centers-comprises numerous components connected via custom network topologies, and serves varying demands of a large number of users and applications. Consequently, some storage servers can be more loaded than others, which creates bottlenecks and reduces overall application I/O performance. Existing solutions typically focus on per application load balancing, and thus are not as effective given their lack of a global view of the system. In this paper, we propose a data-driven approach to load balance the I/O servers at scale, targeted at Lustre deployments. To this end, we design a global mapper on Lustre Metadata Server, which gathers runtime statistics from key storage components on the I/O path, and applies Markov chain modeling and a minimum-cost maximum-flow algorithm to decide where data should be placed. Evaluation using a realistic system simulator and a real setup shows that our approach yields better load balancing, which in turn can improve end-to-end performance.

Paul, Arnab K.↗

Aerosol-Cloud-Meteorology Interaction Airborne Field Investigations: Using Lessons Learned from the US West Coast in the Design of ACTIVATE off the US East Coast

We report on a multi-year set of airborne field campaigns (2005 – 2016) off the California coast to examine aerosols, clouds, and meteorology, and how lessons learned tie into the upcoming NASA Earth Venture Suborbital (EVS-3) campaign: Aerosol Cloud meTeorology Interactions oVer the western ATlantic Experiment (ACTIVATE) (2019–2023). The largest uncertainty in estimating global anthropogenic radiative forcing is associated with the interactions of aerosol particles with clouds, which stems from the variability of cloud systems and the multiple feedbacks that affect and hamper efforts to ascribe changes in cloud properties to aerosol perturbations. While past campaigns have been limited in flight hours and the ability to fly in and around clouds, efforts sponsored by the Office of Naval Research have resulted in 113 single aircraft flights (> 500 flight hours) in a fixed region with warm marine boundary layer clouds. All flights used nearly the same payload of instruments on a Twin Otter to fly below, in, and above clouds, producing an unprecedented dataset. We provide here (i) an overview of statistics of aerosol, cloud, and meteorological conditions encountered in those campaigns and (ii) quantification of model-relevant metrics associated with aerosol-cloud interactions leveraging the high data volume and statistics. Based on lessons learned from those flights, we describe the pragmatic innovation in sampling strategy (dual aircraft approach with combined in situ and remote sensing) that will be used in ACTIVATE to generate a dataset that can advance scientific understanding and improve physical parameterizations for Earth system and weather forecasting models, and for assessing next-generation remote sensing retrieval algorithms.

54 ENVIRONMENTAL SCIENCES↗

Metamorphic narrow-gap InSb/InAsSb superlattices with ultra-thin layers

Metamorphic strain compensated InSb/InAsSb 0.52 superlattices (SLs) with ultrathin layers and different periods grown on GaSb substrate were designed, fabricated, and characterized. It was shown that a period increase from 3 to 6.2 nm reduced the effective bandgap energy from 70 to 0 meV. A further increase in the period leads to inversion of the valence and conduction bands. Magneto-optical experiments demonstrated that Dirac-like carrier dispersion is characteristic of almost gapless InSb/InAsSb 0.52 SLs. Indication of hole transport enhancement over that found in InAsSb/InAsSb SL structures is presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors

Optimization of binding affinities for ligands to their target protein is a primary objective in rational drug discovery. Herein, we report on a collaborative study that evaluates various compounds designed to bind to the SET and MYND domain-containing protein 3 (SMYD3). SMYD3 is a histone methyltransferase and plays an important role in transcriptional regulation in cell proliferation, cell cycle, and human carcinogenesis. Experimental measurements using the scintillation proximity assay show that the distributions of binding free energies from a large number of independent measurements exhibit non-normal properties. We use ESMACS (enhanced sampling of molecular dynamics with approximation of continuum solvent) and TIES (thermodynamic integration with enhanced sampling) protocols to predict the binding free energies and to provide a detailed chemical insight into the nature of ligand-protein binding. Our results show that the 1-trajectory ESMACS protocol works well for the set of ligands studied here. Although one unexplained outlier exists, we obtain excellent statistical ranking across the set of compounds from the ESMACS protocol and good agreement between calculations and experiments for the relative binding free energies from the TIES protocol. ESMACS and TIES are again found to be powerful protocols for the accurate comparison of the binding free energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Code for the manuscript "Lagrangian Large Eddy Simulations vis Physics-informed Machine Learning"

We would like to disclose a code based on Python/Pytorch, in which we implement the data-driven physics-informed machine learning of Lagrangian large eddy simulation that is described in the manuscript "Lagrangian Large Eddy Simulations via Physics-Informed Machine Learning ". High-Reynolds number Homogeneous Isotropic Turbulence is fully described within the Navier-Stokes (NS) equations, which are notoriously difficult to solve numerically. Engineers, interested primarily in describing turbulence at a reduced range of resolved scales, have designed heuristics, known as Large Eddy Simulation (LES). LES is described in terms of the temporally evolving Eulerian velocity field defined over a spatial grid with the mean-spacing correspondent to the resolved scale. This classic Eulerian LES depends on assumptions about the effects of sub-grid scales on the resolved scales. Here, we take an alternative approach and design novel LES heuristics stated in terms of Lagrangian particles moving with the flow. Our \emph{Lagrangian LES}, thus L-LES, is described by equations generalizing the weakly compressible Smoothed Particle Hydrodynamics formulation with extended parametric and functional freedom, which is then resolved via Machine Learning training on Lagrangian data from Direct Numerical Simulations of the NS equations. The L-LES model includes physics-informed parameterization and functional form, by combining physics-based parameters and physics-inspired Neural Networks to describe the evolution of turbulence within the resolved range of scales. The sub-grid scale contributions are modeled separately with physical constraints to account for the effects from un-resolved scales. We build the resulting model under the Differentiable Programming framework to facilitate efficient training. We experiment with loss functions of different types, including physics-informed ones accounting for statistics of Lagrangian particles. We show that our Lagrangian LES model is capable of reproducing Eulerian and unique Lagrangian turbulence structures and statistics over a range of turbulent Mach numbers.

Tian, Yifeng↗

The GEOS Ozone Data Assimilation System: Design and Validation

An ozone data assimilation system has been developed at the Data Assimilation Office of the NASA/Goddard Space Flight Center to provide global three-dimensional analyzed ozone mixing ratio and total column ozone. The Total Ozone Mapping Spectrometer (TOMS) total column ozone and the Solar Backscatter Ultraviolet (SBUV) or SBUV/2 partial ozone profile data are assimilated. The analyzed winds from the Goddard Earth Observing System Data Assimilation System (GEOS-DAS) drive the ozone transport. Following every transport model timestep, the model prediction is combined with the observations using a global, physical-space based, statistical analysis scheme. Due to the smaller size of the ozone system than that of a global meteorological data assimilation system, new statistical analysis methodology, including anisotropic and flow-dependent forecast error correlation models, can be implemented and tested in the ozone system more easily. Sample results from the winter 1992 validation period are presented. There is a close agreement between the analyzed fields and the independent observations from ozone sondes and the Halogen Occultation Experiment (HALOE).

Stajner, I.↗

Dynamic performance of an aero-assist spacecraft - AFE

Dynamic performance of the Aero-assist Flight Experiment (AFE) spacecraft was investigated using a high-fidelity 6-DOF simulation model. Baseline guidance logic, control logic, and a strapdown navigation system to be used on the AFE spacecraft are also modeled in the 6-DOF simulation. During the AFE mission, uncertainties in the environment and the spacecraft are described by an error space which includes both correlated and uncorrelated error sources. The principal error sources modeled in this study include navigation errors, initial state vector errors, atmospheric variations, aerodynamic uncertainties, center-of-gravity off-sets, and weight uncertainties. The impact of the perturbations on the spacecraft performance is investigated using Monte Carlo repetitive statistical techniques. During the Solid Rocket Motor (SRM) deorbit phase, a target flight path angle of -4.76 deg at entry interface (EI) offers very high probability of avoiding SRM casing skip-out from the atmosphere. Generally speaking, the baseline designs of the guidance, navigation, and control systems satisfy most of the science and mission requirements.

Chang, Ho-Pen↗

Inland and Near Shore Water Profiles Derived from the High Altitude Multiple Altimeter Beam Experimental Lidar (MABEL)

The Advanced Topographic Laser Altimeter System (ATLAS) on the Ice, Cloud, and Land Elevation Satellite (ICESat-2) mission is a six beam, low energy, high repetition rate, 532 nm laser transmitter with photon counting detectors. Although designed primarily for detecting height changes in icecaps, sea ice and vegetation, the polar-orbital satellite will observe global surface water during its designed three year life span, including inland water bodies, coasts, and open oceans. In preparation for the mission, an ICESat-2 prototype or the Multiple Altimeter Beam Experimental Lidar (MABEL), was built and flown on high altitude aircraft experiments over a range of inland and near-shore targets. The purpose was to test the ATLAS concept and to provide a database for developing an algorithm that detects along track surface water height and light penetration under a range of atmospheric and water conditions. The current analysis examines the datasets of three MABEL transects observed from 20 km above ground of coastal and inland waters conducted in 2012 and 2013. Transects ranged from about 2 to 12 km in length and included the middle Chesapeake Bay, the near shore Atlantic coast at Virginia Beach, and Lake Mead. Results indicate MABEL's high capability for retrieving surface water height statistics with a mean height precision of approximately 5-7 cm per 100m segment length. Profiles of attenuated subsurface backscatter, characterized using a Signal to Background Ratio written in Log10 base, or LSBR0, were observed over a range of 1.3 to 9.3 meters depending on water clarity and atmospheric background. Results indicate that observable penetration depth, although primarily dependent on water properties, was greatest when solar background rate was low. Near shore bottom reflectance was detected only at the Lake Mead site down to maximum of 10 m under a clear night sky and low turbidity of approximately 1.6 Nephelometric Turbidity Units (NTU). The overall results suggest that the feasibility of retrieving operational surface water height statistics from space-based photon counting systems such as ATLAS is very high for resolutions down to about 100m, even in partly cloudy conditions. The capability to observe subsurface backscatter profiles is achievable but requires much longer transects of several hundreds of meters.

Topographic↗

Time-domain theory of transient heat conduction in the local limit

Ultrafast and nanoscale heat conduction demands a unified theoretical framework that rigorously bridges macroscopic transport equations with microscopic material properties derived from statistical physics. Existing empirical generalizations of Fourier's law often lack a solid microscopic foundation, failing to connect observed non-Fourier behavior with underlying atomic-scale mechanisms. In this work, we present a time-domain theory of transient heat conduction rooted in Zwanzig's statistical theory of irreversible processes. Central to this framework is the time-domain transport function $\overleftrightarrow{𝑍}$⁡(𝑡) defined through equilibrium time-correlation functions of heat fluxes. This function generalizes the conventional concept of steady-state thermal conductivity, governing the transition of conduction dynamics from onset second sound type wave propagation at finite speeds to diffusion-dominated behavior across broad temporal and spatial scales. Unlike phonon hydrodynamic models that rely on mesoscopic constructs such as phonon drift velocity, our approach provides a quantitative and microscopic description of intrinsic memory effects in transient heat fluxes and applies universally to bulk materials at any temperature or length scale. By integrating atomistic-scale first-principles calculations with continuum-level macroscopic equations, this framework offers a robust foundation for numerical simulations of transient temperature fields. Furthermore, it facilitates the interpretation and design of transient thermal grating experiments using nanometer-scale heat sources and ultrafast laser systems in the extreme ultraviolet and x-ray wavelength ranges, advancing our understanding of heat dissipation dynamics.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Radio occultation studies of the Venus atmosphere with the Magellan spacecraft. 1: Experimental description and performance

While primarily designed for radar studies of the Venus surface, the high effective isotropic radiated power (EIRP) from the Magellan spacecraft makes it an ideal transmitter for use in radio occultation measurements of the refractivity and absorptivity of the Venus atmosphere. Such experiments have been conducted involving transmissions at 2.3 GHz and 8.4 GHz (13 cm and 3.6 cm, respectively), during spacecraft ingress. Since the stability of the spacecraft transmitter is critical for accurately determining the Doppler shift and amplitude attenuation created as the ray penetrates the atmosphere, the spacecraft transmitter was locked to a 2.1 GHz uplink from a 70-meter DSN station which also received the signals. Because of the high directivity of the spacecraft antenna, and the significant ray bending in the deep Venus atmosphere, a spacecraft tracking maneuver was designed to keep the spacecraft antenna pointed in the direction of the refracted ray path back to Earth. This tracking maneuver, plus the high EIRP of the Magellan transmitter has yielded 3.6 cm refractivity and absorptivity profiles down to the 35 km altitude and 13 cm profiles down to the altitude of critical refraction (approximately 33 km). The statistical uncertainties in the derived profiles are significantly lower than those previously obtained, resulting in extremely accurate profiles of H2SO4 (g) abundance as discussed in an accompanying paper.

Steffes, Paul G.↗

Uncertainty Models for the Hybrid Parametric Variation Method of Uncertainty Quantification; Analysis

There is some level of uncertainty in every finite element model (FEM), which flows to a level of uncertainty in predicted results. The purpose of uncertainty quantification (UQ) is to provide statistical bounds on prediction accuracy based on model uncertainty. This is distinct from model updating, which attempts to modify models to improve their accuracy. UQ does not improve the accuracy of models, but accepts that the models are inherently inaccurate and attempts to quantify the impact of that inaccuracy on predicted results. Previously, an alternate method for UQ, called the Hybrid Parametric Variation (HPV) method, was applied to Space Launch System (SLS) Hurty/Craig-Bampton (HCB) components to predict system-level statistics for launch vehicle attitude control transfer functions and core stage section loads due to buffet. The HPV method combines a parametric variation of the HCB fixed-interface (FI) modal frequencies with a nonparametric variation (NPV) method that randomly varies the HCB mass and stiffness matrices as Wishart random matrix distributions using random matrix theory (RMT). Alternatively, the most common method for modeling uncertainty in the structural dynamics community is a parametric approach, which varies physical parameters in the model. However, there are several disadvantages associated with the parametric method. Determining a reduced set of parameters that have a significant impact on the system response can be time consuming, and the selected parameter probability distributions are rarely reliably known. Therefore, in practice, the parameters are surrogates for the actual errors, and the link to parameter uncertainty is unknown. Another major drawback is that the uncertainty that can be represented is limited to the form of the nominal FEM. It is the experience of the authors that based on numerous aerospace programs, almost all FEM errors are in form rather than parameter values. This hypothesis is supported by the observation of the authors that it is almost never possible to ‘tune’ a FEM to match modal test results by only modifying model parameters. Model-form uncertainty cannot be directly represented by FEM input parameters nor included in a parametric approach. However, model-form uncertainty can be modeled using RMT, where a probability distribution is developed for the matrix ensemble of interest. The major advantage of the NPV method is that it covers errors in model form. The HPV method anchors uncertainty at the HCB component level to component modal test results by matching the HCB and test modes based on mode descriptions or other methods, and then applying differing levels of frequency variation. The specific variations depend on the confidence to which a component FEM has been validated through modal testing. The NPV method is layered on the frequency variation to match modal test self-orthogonality and cross-orthogonality (XO) results. Once the component uncertainty models are identified, they are assembled, and the uncertainty is propagated to the system level using a Monte Carlo (MC) analysis approach that generates statistics for system-level predictions This provides a UQ method that can be traced to test data, which can be updated as additional data and improved correlated models become available. The purpose of this paper is to collect and present all of the theory for HPV that has been previously published in reports and papers and to present examples of its application. Specifically, component uncertainty models based on the dispersion of corresponding mass and stiffness matrices using proposed test/analysis correlation metrics are investigated. The first example is purely academic so that the true answers are known, and the validity of the HPV method and the corresponding uncertainty models can be determined. The purpose of this paper is to collect and present all of the theory for HPV that has been previously published in reports and papers and to present examples of its application. Specifically, component uncertainty models based on the dispersion of corresponding mass and stiffness matrices using proposed test/analysis correlation metrics are investigated. The first example is purely academic so that the true answers are known, and the validity of the HPV method and the corresponding uncertainty models can be determined. The second example is an application to a component that is design specific to the SLS. Based on this work and other assessments, the HPV method provides another tool to the toolset used for complex system UQ analysis. From experience gathered to date using the HPV method, additional design specific applications must be investigated to provide further confidence in the validity of the HPV method of UQ analysis.

Uncertainty quantification↗

Approximating the linear response of physical chaos

Abstract Parametric derivatives of statistics are highly desired quantities in prediction, design optimization and uncertainty quantification. In the presence of chaos, the rigorous computation of these quantities is certainly possible, but mathematically complicated and computationally expensive. Based on Ruelle’s formalism, this paper shows that the sophisticated linear response algorithm can be dramatically simplified in higher-dimensional systems featuring statistical homogeneity in the physical space. We argue that the contribution of the SRB (Sinai–Ruelle–Bowen) measure gradient, which is an integral yet the most cumbersome part of the full algorithm, is negligible if the objective function is appropriately aligned with unstable manifolds. This abstract condition could potentially be satisfied by a vast family of real-world chaotic systems, regardless of the physical meaning and mathematical form of the objective function and perturbed parameter. We demonstrate several numerical examples that support these conclusions and that present the use and performance of a simplified linear response algorithm. In the numerical experiments, we consider physical models described by differential equations, including Lorenz 96 and Kuramoto–Sivashinsky.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Intrinsic Kinetics of Polyethylene Terephthalate Pyrolysis via Micropyrolysis and Multivariate Chromatographic Analysis

This study provides an in-depth investigation of the primary decomposition of polyethylene terephthalate (PET) via pyrolysis, employing an experimental-analytic workflow that integrates design of experiments (DoE), micropyrolysis coupled with comprehensive two-dimensional gas chromatography (GC×GC), and multivariate data analysis to verify intrinsic kinetic conditions and elucidate evolving product distributions for mapping key reaction pathways. Peaks that could not be identified using commercial spectral libraries were assigned using Mass Frontier simulations, enabling the identification of divinyl terephthalate, ethyl vinyl terephthalate, and 2-(benzoyloxy)ethyl vinyl terephthalate. A polar×polar (non-orthogonal) column set tailored for the detection of carboxylic acids enhanced the quantification of benzoic acid, 4-vinylbenzoic acid, 4-ethylbenzoic acid, and methylbenzoic acid by up to 6-fold relative to an orthogonal column combination (non-polar×mid-polar). Moreover, pyrolysis variables were systematically evaluated using a Box- Behnken design (BBD), encompassing pyrolysis temperature (500−600 °C), sample weight (50−150 μg), and carrier gas flow rate (100−300 mL min −1 ). Among these, pyrolysis temperature was the only statistically significant factor influencing product yields, ranging from 58.78 to 84.26 wt %. In contrast, neither the sample weight nor the carrier gas flow rate had a significant effect on product yields within the evaluated experimental space. At 600 °C, the major pyrolysis products were benzoic acid (up to 20.20 ± 1.46 wt %) and CO 2 (up to 21.28 ± 1.46 wt %), which can be produced through decarboxylation reactions. These findings underscore the critical importance of selecting appropriate analytical columns for the accurate quantification of heteroatomcontaining products such as carboxylic acids, which may otherwise be underestimated or undetected due to their reactivity with the stationary phase of non-polar and mid-polar columns, as well as other GC components. They also highlight the importance of selecting pyrolysis conditions for investigating the primary decomposition of PET under an isothermal kinetically limited regime.

aromatic compounds↗