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At least 163 records · Page 9

Identifiability and predictability of integer- and fractional-order epidemiological models using physics-informed neural networks

Here we analyze a plurality of epidemiological models through the lens of physics-informed neural networks (PINNs) that enable us to identify time-dependent parameters and data-driven fractional differential operators. In particular, we consider several variations of the classical susceptible-infectious-removed (SIR) model by introducing more compartments and fractional-order and time-delay models. We report the results for the spread of COVID-19 in New York City, Rhode Island and Michigan states and Italy, by simultaneously inferring the unknown parameters and the unobserved dynamics. For integer-order and time-delay models, we fit the available data by identifying time-dependent parameters, which are represented by neural networks. In contrast, for fractional differential models, we fit the data by determining different time-dependent derivative orders for each compartment, which we represent by neural networks. We investigate the structural and practical identifiability of these unknown functions for different datasets, and quantify the uncertainty associated with neural networks and with control measures in forecasting the pandemic.

60 APPLIED LIFE SCIENCES↗

A design of resonant inelastic X-ray scattering (RIXS) spectrometer for spatial- and time-resolved spectroscopy

The optical design of a Hettrick–Underwood-style soft X-ray spectrometer with Wolter type 1 mirrors is presented. The spectrometer with a nominal length of 3.1 m can achieve a high resolving power (resolving power higher than 10000) in the soft X-ray regime when a small source beam (<3 µm in the grating dispersion direction) and small pixel detector (5 µm effective pixel size) are used. Adding Wolter mirrors to the spectrometer before its dispersive elements can realize the spatial imaging capability, which finds applications in the spectroscopic studies of spatially dependent electronic structures in tandem catalysts, heterostructures, etc . In the pump–probe experiments where the pump beam perturbs the materials followed by the time-delayed probe beam to reveal the transient evolution of electronic structures, the imaging capability of the Wolter mirrors can offer the pixel-equivalent femtosecond time delay between the pump and probe beams when their wavefronts are not collinear. In combination with some special sample handing systems, such as liquid jets and droplets, the imaging capability can also be used to study the time-dependent electronic structure of chemical transformation spanning multiple time domains from microseconds to nanoseconds. The proposed Wolter mirrors can also be adopted to the existing soft X-ray spectrometers that use the Hettrick–Underwood optical scheme, expanding their capabilities in materials research.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Controlling laser-dressed resonance line shape using attosecond extreme-ultraviolet pulse with a spectral minimum

High-harmonic generation from a gas target exhibits sharp spectral features and rapid phase variation near the Cooper minimum. By applying spectral filtering, shaped isolated attosecond pulses can be generated where the pulse is split into two in the time domain. Using such shaped extreme-ultraviolet (XUV) pulses, we theoretically study attosecond transient absorption (ATA) spectra of helium 2s2p autoionizing state which is resonantly coupled to the 2s 2 dark state by a time-delayed infrared laser. Our simulations show that the asymmetric 2s2p Fano line shape can be readily tuned into symmetric Lorentzian within the time delay of a few tens of attoseconds. Such efficient control is due to the destructive interference in the generation of the 2s2p state when it is excited by a strongly shaped XUV pulse. This is to be compared to prior experiments where tuning the line shape of a Fano resonance would take tens of femtoseconds. We also show that the predicted ATA spectral line shape can be observed experimentally after propagation in a gas medium. Our results suggest that strongly shaped attosecond XUV pulses offer the opportunity for controlling and probing fine features of narrow resonances on the few-ten attoseconds timescale.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Design of an amplitude-splitting hard x-ray delay line with subnanoradian stability

We propose the design and analysis of a hard x-ray split-delay optical arrangement that combines diffractive and crystal optics. Transmission gratings are employed to achieve the much-desired amplitude splitting and recombination of the beam. Asymmetric channel-cut crystals are utilized to tune the relative delay time. The use of a dispersion-compensation arrangement of the crystals allows the system to achieve subnanoradian pointing stability during a delay scan. It further minimizes wavefront distortion and preserves the pulse front and pulse duration. We analyze the performance of a prototype design that can cover a delay time range of 15 ps with a sub-20 fs time resolution at 10 keV. We anticipate that this system can fully satisfy the very demanding stability requirements for performing split-pulse x-ray photon correlation spectroscopy measurements for the investigation of fast atomic scale dynamics in complex disordered matter.

47 OTHER INSTRUMENTATION↗

An experimental and chemical kinetic modeling study of 4-butoxyheptane combustion

Here, the combustion kinetics of a novel oxygenated bioblendstock for diesel, 4-butoxyheptane (4-BH), was investigated experimentally using a flow reactor and a heated, high-pressure shock tube. The flow reactor experiments employed oxygen as the oxidizer and helium as the diluent with oxidation conducted at atmospheric pressure and 10 bar for temperatures from 400 to 1000 K at 20-K intervals. The fuel, oxidizer, and diluent flow rates were varied at different temperatures to maintain a constant initial fuel mole fraction of 1000 ppm, with stoichiometric equivalence ratio, and a residence time of 2.0 s. The reacted gas was fed to two separate GC systems that could qualitatively and quantitatively detect product species. Additionally, real fuel-air ignition delay time (IDT) data were collected using a heated, high-pressure shock-tube facility. Fuel lean (φ = 0.5) and stoichiometric (φ = 1.0) mixtures were investigated at 10 atm as well as at 30 atm for the fuel lean case for temperatures between 847 and 1259 K. A detailed chemical kinetics mechanism was developed to model the product distribution from the flow reactor and IDTs from the shock tube. The proposed model was able to predict the double NTC behavior in flow reactor experiments reasonably well. Model predictions at low temperatures were observed to be highly sensitive to the rate constants of ketohydroperoxide (KHP) decomposition in the case of the OOH group in α position which were modeled based on existing literature studies on ethers. It was noted that in the absence of theoretical or experimental studies, the rate constants for KHP decomposition used in the literature were empirically set. Additional studies are required to address the gap in model prediction obtained in this study and to reduce the uncertainty in kinetics models for ether oxidation. Predicted product concentrations and IDTs showed some quantitative agreement with experimental data, but the overall reactivity of the IDTs is underpredicted. Additionally, significant deviation is observed for the IDT results at 10 atm for the stoichiometric case with minor deviations for the other cases. The reaction pathways to the missing products were then further analyzed theoretically through quantum-mechanical calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Autoignition study of iso -cetane/tetralin blends at low temperature

iso-Cetane and tetralin are the two fuel components commonly considered in literature diesel surrogates, and are hydrocarbon classes representative of iso-alkanes and naphthoaromatics, respectively. Since both surrogate components are involved in the key reactions controlling the autoignition reactivity of diesel surrogates, autoignition studies of iso-cetane, tetralin, and their blending behavior at low temperatures can be helpful in developing/refining chemical kinetic models of diesel surrogates, in order to better predict diesel ignition response under low temperature combustion conditions. In this investigation, autoignition experiments of iso-cetane, tetralin, and their binary mixtures at varying blending ratios have been conducted in a rapid compression machine (RCM) in the temperature/pressure range of 630–930 K and 10–20 bar. For the neat fuel components, the newly-acquired RCM data have been compared with the literature experimental results at some overlapping conditions. In addition, a chemical kinetic model describing the oxidation of iso-cetane and tetralin compiled/updated from the diesel surrogate model developed by Lawrence Livermore National Laboratory is used to simulate the experimental datasets. It is shown that this model exhibits good agreement with the experimental results of tetralin and also predicts the total ignition delay times of iso-cetane at lower temperatures reasonably well. However, the current model fails to fully capture the increase of total ignition delay time with increasing amount of tetralin in the binary blends observed in the present RCM experiments. Therefore, chemical kinetic analyses of the current model are conducted to help identify possible reasons leading to the discrepancies between simulations and experiments. Furthermore, the chemical kinetic interactions between iso-cetane and tetralin are explored by including additional cross-reactions among iso-cetane, tetralin, and their fuel fragments in the current model to assess their effects on model predictions. As a result, based on the chemical kinetic analysis results, future direction for model refinements is discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Candidate strongly lensed type Ia supernovae in the Zwicky Transient Facility archive

Gravitationally lensed type Ia supernovae (glSNe Ia) are unique astronomical tools that can be used to study cosmological parameters, distributions of dark matter, the astrophysics of the supernovae, and the intervening lensing galaxies themselves. A small number of highly magnified glSNe Ia have been discovered by ground-based telescopes such as the Zwicky Transient Facility (ZTF), but simulations predict that a fainter, undetected population may also exist. We present a systematic search for glSNe Ia in the ZTF archive of alerts distributed from June 1 2019 to September 1 2022. Using the AMPEL platform, we developed a pipeline that distinguishes candidate glSNe Ia from other variable sources. Initial cuts were applied to the ZTF alert photometry (with constraints on the peak absolute magnitude and the distance to a catalogue-matched galaxy, as examples) before forced photometry was obtained for the remaining candidates. Additional cuts were applied to refine the candidates based on their light curve colours, lens galaxy colours, and the resulting parameters from fits to the SALT2 SN Ia template. The candidates were also cross-matched with the DESI spectroscopic catalogue. Seven transients were identified that passed all the cuts and had an associated galaxy DESI redshift, which we present as glSN Ia candidates. Although superluminous supernovae (SLSNe) cannot be fully rejected as contaminants, two events, ZTF19abpjicm and ZTF22aahmovu, are significantly different from typical SLSNe and their light curves can be modelled as two-image glSN Ia systems. From this two-image modelling, we estimate time delays of 22 ± 3 and 34 ± 1 days for the two events, respectively, which suggests that we have uncovered a population of glSNe Ia with longer time delays. The pipeline is efficient and sensitive enough to parse full alert streams. It is currently being applied to the live ZTF alert stream to identify and follow-up future candidates while active. This pipeline could be the foundation for glSNe Ia searches in future surveys, such as the Rubin Observatory Legacy Survey of Space and Time.

79 ASTRONOMY AND ASTROPHYSICS↗

Experimental and modelling study of the effect of pre-shock duration on the double shock initiation response of PBX 9501

Here, a series of double shock initiation gas-gun experiments have been performed on PBX 9501 (95% weight HMX, 5% binder) in which the input conditions were nominally the same, but the time delay between the two shocks was explicitly varied. The impact conditions generated pre- and main shock pressures of 2.9 and 6.2 GPa respectively, with time delays between them ranging from 0.56 to 1.10 µs. This resulted in different levels of reaction behind the pre-shock prior to the main shock traversing the explosive samples, with the growth of reaction monitored using embedded particle velocity and shock tracker gauges. Simulated results from three reactive burn models (CREST, AWSD and SURF) are compared with the measured data to assess their ability to predict the response of PBX 9501 under such double shock conditions. The described experiments add to the body of evidence to help improve our understanding of the double shock initiation response of explosives, and the data obtained provide an excellent test for reactive burn models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

CO Laser Absorption Measurements During Syngas Combustion at High Pressure

Abstract Syngas is a desirable fuel for combustion in the Allam-Fetvedt cycle, which involves combustion under supercritical-CO2 conditions. While some work has been conducted in collecting ignition delay times (IDT) at the extreme pressures required by these systems, significant model deficiencies remain. Additionally, considerable barriers in terms of nonideal gas dynamic effects have been shown for these experiments in shock tubes. Further investigation into the fundamental combustion kinetics of H2/CO/CO2 mixtures is required. Time-resolved speciation measurements for target species have been shown to better aid in improving the understanding of underlying chemical kinetics than global ignition delay time measurements. Therefore, laser absorption measurements of CO were measured behind reflected shock waves during combustion of syngas at 5 and 10 bar and temperatures between 1080 and 2100 K. The mixtures investigated utilized H2-to-CO ratios of 1:1 and 1:4, respectively, each at stoichiometric conditions, allowing for discussions of the effect of initial fuel composition. A ratio of fuel to CO2 of 1:2 was also utilized to represent commercially available syngas. The mixtures were diluted in helium and argon (20% He, 76.5% Ar) to minimize thermal effects and to expedite CO thermal relaxation during the experiment. The resulting CO time histories were then compared to modern chemical kinetics mechanisms, and disagreement is seen for this system, which is assumed to be fairly well known. This study elucidates particular chemistry that needs improvement in moving toward a better understanding of syngas combustion at elevated pressures.

Engineering↗

A Natural ≳100× Telescope: Discovery of the Strongly Lensed Type II SN 2025mkn at z = 1.37

We present the discovery of SN 2025mkn, a gravitationally lensed Type II supernova. First detected as a blue transient in Zwicky Transient Facility (ZTF), 0. "83 from a z = 0.42 elliptical galaxy, the follow-up SNIFS/UH2.2 m and LRIS/Keck spectra revealed absorption lines at z = 1.371. Later JWST NIRCam imaging shows that the bright transient is a close pair of point sources separated by 0. "07, and a 30 times fainter counterimage opposite the lens, for which NIRSpec reveals strong Hα emission also at z = 1.371. The lightcurves and spectra are consistent with the Type II supernova source being magnified ≳100 times, with ∼250 required to reconcile its luminosity with that of nearby events such as SN 2023ixf. Lens models are consistent with such high magnifications, and always show that the faint image arrived first (undetected in earlier ZTF imaging), consistent with the later spectral phase of this fainter image. A fourth image is also predicted and possibly detected in the NIRSpec data. Lightcurve-based time-delay measurements are not possible due to the first image being the faintest; however, the resolved NIRSpec spectra offer a future opportunity for time-delay cosmography through supernova phase measurements.

Strong gravitational lensing↗

Fuel molecular structure effect on autoignition of highly branched iso-alkanes at low-to-intermediate temperatures: Iso-octane versus iso-dodecane

Highly branched iso-alkanes are an important class of hydrocarbons found in conventional petroleum-derived and alternative renewable fuels used for combustion applications. Recognizing that chemical kinetics for most of these iso-alkanes, especially at low-to-intermediate temperatures, has not been well studied, an experimental and modeling investigation of two selected iso-alkanes, iso-octane (2,2,4-trimethylpentane, iC8) and iso-dodecane (2,2,4,6,6-pentamethylheptane, iC12), is conducted to understand the fuel molecular structure effect on their autoignition characteristics. Using a rapid compression machine (RCM), the ignition responses of iC8 and iC12 at varying pressures, temperatures, and equivalence ratios are characterized and compared. The newly-acquired experimental ignition delay times have been compared with the literature RCM and shock tube data, demonstrating the complementary nature of the current dataset. Further comparison of the experimental pressure traces and ignition delay times illustrates the reactivity crossover between iC8 and iC12. Namely, there exists a temperature window in the negative temperature coefficient regime within which iC12 is less reactive than iC8, but iC12 becomes more reactive outside this temperature window. Furthermore, a chemical kinetic model of iso-alkanes including both iC8 and iC12 is developed. Simulated results using this model are then compared to the experimental data obtained in this study and available in the literature, showing its ability to predict the experimental trends. Chemical kinetic analyses have also been conducted to identify the important reaction pathways controlling autoignition at varying conditions, and to elucidate the underlying mechanism leading to different reactivity trends between iC8 and iC12.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Time-domain self-broadened and air-broadened nitrogen S-branch Raman linewidths at 80–200 K recorded in an underexpanded jet

We report pure-rotational N 2 –N 2 , N 2 –air, and O 2 –air S-branch linewidths for temperatures of 80–200 K by measuring the time-dependent decay of rotational Raman coherences in an isentropic free-jet expansion from a sonic nozzle. We recorded pure-rotational hybrid femtosecond/picosecond coherent anti-Stokes Raman scattering (fs/ps CARS) spectra along the axial centerline of the underexpanded jet, within the barrel shock region upstream of the Mach disk. The dephasing of the pure-rotational Raman coherence was monitored using probe-time-delay scans at different axial positions in the jet, corresponding to varying local temperatures and pressures. The local temperature was obtained by fitting CARS spectra acquired at zero probe time delay, where the impact of collisions was minimal. The measured decay of each available Raman transition was fit to a dephasing constant and corrected for the local pressure, which was obtained from the CARS-measured static temperature and thermodynamic relationships for isentropic expansion from the known stagnation state. Nitrogen self-broadened transitions decayed more rapidly than those broadened in air for all temperatures, corresponding to higher Raman linewidths. In general, the measured S-branch linewidths deviated significantly in absolute and relative magnitudes from those predicted by extrapolating the modified exponential gap model to low temperatures. The temperature dependence of the Raman linewidth for each measured rotational state of nitrogen (J ≤ 10) and oxygen (N ≤ 11) was fit to a temperature-dependent power law over the measurable temperature domain (80–200 K) and extrapolated to both higher rotational states and room temperature. Furthermore, the measured and modeled low-temperature linewidth data provided here will aid low temperature gas-phase pressure measurements with fs/ps CARS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An excited state dynamics driven reaction: wavelength-dependent photoisomerization quantum yields in [Ru(bpy) 2 (dmso) 2 ] 2+

We report the excited-state behavior of a structurally simple bis -sulfoxide complex, cis -S,S-[Ru(bpy) 2 (dmso) 2 ] 2+ , as investigated by femtosecond pump–probe spectroscopy. The results reveal that a single photon prompts phototriggered isomerization of one or both dmso ligands to yield a mixture of cis -S,O-[Ru(bpy) 2 (dmso) 2 ] 2+ and cis -O,O-[Ru(bpy) 2 (dmso) 2 ] 2+ . The quantum yields of isomerization of each product and relative product distribution are dependent upon the excitation wavelength, with longer wavelengths favoring the double isomerization product, cis -O,O-[Ru(bpy) 2 (dmso) 2 ] 2+ . Transient absorption measurements on cis -O,O-[Ru(bpy) 2 (dmso) 2 ] 2+ do not reveal an excited-state isomerization pathway to produce either the S,O or S,S isomers. Femtosecond pulse shaping experiments reveal no change in the product distribution. Pump–repump–probe transient absorption spectroscopy of cis -S,S-[Ru(bpy) 2 (dmso) 2 ] 2+ shows that a pump–repump time delay of 3 ps dramatically alters the S,O:O,O product ratio; pump–repump–probe transient absorption spectroscopy of cis -O,O-[Ru(bpy) 2 (dmso) 2 ] 2+ with a time delay of 3 ps uncovers an excited-state isomerization pathway to produce the S,O isomer. In conjunction with low-temperature steady-state emission spectroscopy, these results are interpreted in the context of an excited-state bifurcating pathway, in which the isomerization product distribution is determined not by thermodynamics, but rather as a dynamics driven reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Finding Multiply Lensed and Binary Quasars in the DESI Legacy Imaging Surveys

The time delay between multiple images of strongly lensed quasars is a powerful tool for measuring the Hubble constant ( H 0 ). To achieve H 0 measurements with higher precision and accuracy using the time delay, it is crucial to expand the sample of lensed quasars. We conduct a search for strongly lensed quasars in the Dark Energy Spectroscopic Instrument (DESI) Legacy Imaging Surveys. The DESI Legacy Surveys comprise 19,000 deg 2 of the extragalactic sky observed in three optical bands ( g , r , and z ), making it well suited for the discovery of new strongly lensed quasars. We apply an autocorrelation algorithm to ~5 million objects classified as quasars in the DESI Quasar Sample. These systems are visually inspected and ranked. Here, we present 436 new multiply lensed and binary quasar candidates, 65 of which have redshifts from Sloan Digital Sky Survey Data Release 16. We provide redshifts for an additional 18 candidates from the SuperNova Integral Field Spectrograph.

79 ASTRONOMY AND ASTROPHYSICS↗

Non-thermal structural transformation of diamond driven by x-rays

Intense x-ray pulses can cause the non-thermal structural transformation of diamond. At the SACLA XFEL facility, pump x-ray pulses triggered this phase transition, and probe x-ray pulses produced diffraction patterns. Time delays were observed from 0 to 250 fs, and the x-ray dose varied from 0.9 to 8.0 eV/atom. The intensity of the (111), (220), and (311) diffraction peaks decreased with time, indicating a disordering of the crystal lattice. From a Debye–Waller analysis, the rms atomic displacements perpendicular to the (111) planes were observed to be significantly larger than those perpendicular to the (220) or (311) planes. At a long time delay of 33 ms, graphite (002) diffraction indicates that graphitization did occur above a threshold dose of 1.2 eV/atom. These experimental results are in qualitative agreement with XTANT+ simulations using a hybrid model based on density-functional tight-binding molecular dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding Reaction Networks through Controlled Approach to Equilibrium Experiments Using Transient Methods

We report a combined experimental/theoretical approach to studying heterogeneous gas/solid catalytic processes using low-pressure pulse response experiments achieving a controlled approach to equilibrium that combined with quantum mechanics (QM)-based computational analysis provides information needed to reconstruct the role of the different surface reaction steps. We demonstrate this approach using model catalysts for ammonia synthesis/decomposition. Polycrystalline iron and cobalt are studied via low-pressure TAP (temporal analysis of products) pulse response, with the results interpreted through reaction free energies calculated using QM on Fe-BCC(110), Fe-BCC(111), and Co-FCC(111) facets. In TAP experiments, simultaneous pulsing of ammonia and deuterium creates a condition where the participation of reactants and products can be distinguished in both forward and reverse reaction steps. This establishes a balance between competitive reactions for D* surface species that is used to observe the influence of steps leading to nitrogen formation as the nitrogen product remains far from equilibrium. Here, the approach to equilibrium is further controlled by introducing delay timing between NH 3 and D 2 which allows time for surface reactions to evolve before being driven in the reverse direction from the gas phase. The resulting isotopic product distributions for NH 2 D, NHD 2 , and HD at different temperatures and delay times and NH 3 /D 2 pulsing order reveal the role of the N 2 formation barrier in controlling the surface concentration of NH x * species, as well as providing information on the surface lifetimes of key reaction intermediates. Conclusions derived for monometallic materials are used to interpret experimental results on a more complex and active CoFe bimetallic catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of Velocity on Radar Waveforms

A common assumption in pulse-Doppler radar is that when interrogating a point, or point-like target, the received echo waveform is an attenuated and time-delayed, but otherwise faithful facsimile of the transmitted waveform. The effects of a relative line-of-sight velocity between radar and target is often presumed to manifest only as a pulse-to-pulse time delay, usually simplified as a phase shift. However, a significant line-of-sight velocity will also in fact substantially perturb the received waveform even for a single pulse, and may need to be accounted for, and compensated during radar signal processing.

42 ENGINEERING↗

Continuum-electron interferometry for enhancement of photoelectron circular dichroism and measurement of bound, free, and mixed contributions to chiral response

We develop photoelectron interferometry based on laser-assisted extreme ultraviolet ionization for flexible and robust control of photoelectron circular dichroism in randomly oriented chiral molecules. A comb of XUV photons ionizes a sample of chiral molecules in the presence of a time-delayed infrared or visible laser pulse promoting interferences between components of the XUV-ionized photoelectron wave packet. In striking contrast to multicolor phase control schemes relying on pulse shaping techniques, the magnitude of the resulting chiral signal is here controlled by the time delay between the XUV and laser pulses. Furthermore, we show that the relative polarization configurations of the XUV and IR fields allow for disentangling the contributions of bound and continuum states to the chiral response. Our proposal provides a simple, robust, and versatile tool for the control of photoelectron circular dichroism and experimentally feasible protocol for probing the individual contributions of bound and continuum states to the photoelectron circular dichroism in a time-resolved manner.

atomic and molecular processes in external fields↗