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At least 1,189 records · Page 66

Probabilistic Prediction of Geomagnetic Storms and the K p index

Geomagnetic activity is often described using summary indices to summarize the likelihood of space weather impacts, as well as when parameterizing space weather models. The geomagnetic index K p in particular, is widely used for these purposes. Current state-of-the-art forecast models provide deterministic K p predictions using a variety of methods – including empirically-derived functions, physics-based models, and neural networks – but do not provide uncertainty estimates associated with the forecast. This paper provides a sample methodology to generate a 3-hour-ahead K p prediction with uncertainty bounds and from this provide a probabilistic geomagnetic storm forecast. Specifically, we have used a two-layered architecture to separately predict storm (K p ≥ 5 – ) and non-storm cases. As solar wind-driven models are limited in their ability to predict the onset of transient-driven activity we also introduce a model variant using solar X-ray flux to assess whether simple models including proxies for solar activity can improve the predictions of geomagnetic storm activity with lead times longer than the L1-to-Earth propagation time. By comparing the performance of these models we show that including operationally-available information about solar irradiance enhances the ability of predictive models to capture the onset of geomagnetic storms and that this can be achieved while also enabling probabilistic forecasts.

79 ASTRONOMY AND ASTROPHYSICS↗

Improved HIRS2/MSU soundings using tropopause information

In the GLAS physical retrieval scheme, all temperature profiles are expressed as an expansion about a global mean using empirical orthogonal functions derived from a sample of radiosondes. Total ozone burden, a parameter highly correlated with tropopause height, should be useful in improving sounding accuracy. The ability to estimate tropopause information from layer mean temperatures suggests incorporating the layer mean temperatures estimated from the sounding itself to give estimates of tropopause pressure and temperature. While information completely independent of sounding and first guess data is preferable, additional information is in fact added to the system by the statistical relationships between tropopause temperature and pressure and layer mean temperature profiles. This should not be confused with use of statistical relationships between temperature profiles and satellite observations, which form the basis of a statistical retrieval system but is in no way used in the physical retrieval scheme.

Susskind, J.↗

Resonant anomaly detection with multiple reference datasets

An important class of techniques for resonant anomaly detection in high energy physics builds models that can distinguish between reference and target datasets, where only the latter has appreciable signal. Such techniques, including Classification Without Labels (CWoLa) and Simulation Assisted Likelihood-free Anomaly Detection (SALAD) rely on a single reference dataset. They cannot take advantage of commonly available multiple datasets and thus cannot fully exploit available information. In this work, we propose generalizations of CWoLa and SALAD for settings where multiple reference datasets are available, building on weak supervision techniques. We demonstrate improved performance in a number of settings with realistic and synthetic data. As an added benefit, our generalizations enable us to provide finite-sample guarantees, improving on existing asymptotic analyses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Precipitation and Latent Heating Distributions from Satellite Passive Microwave Radiometry. Part II: Evaluation of Estimates Using Independent Data

Rainfall rate estimates from spaceborne microwave radiometers are generally accepted as reliable by a majority of the atmospheric science community. One of the Tropical Rainfall Measuring Mission (TRMM) facility rain-rate algorithms is based upon passive microwave observations from the TRMM Microwave Imager (TMI). In Part I of this series, improvements of the TMI algorithm that are required to introduce latent heating as an additional algorithm product are described. Here, estimates of surface rain rate, convective proportion, and latent heating are evaluated using independent ground-based estimates and satellite products. Instantaneous, 0.5 deg. -resolution estimates of surface rain rate over ocean from the improved TMI algorithm are well correlated with independent radar estimates (r approx. 0.88 over the Tropics), but bias reduction is the most significant improvement over earlier algorithms. The bias reduction is attributed to the greater breadth of cloud-resolving model simulations that support the improved algorithm and the more consistent and specific convective/stratiform rain separation method utilized. The bias of monthly 2.5 -resolution estimates is similarly reduced, with comparable correlations to radar estimates. Although the amount of independent latent heating data is limited, TMI-estimated latent heating profiles compare favorably with instantaneous estimates based upon dual-Doppler radar observations, and time series of surface rain-rate and heating profiles are generally consistent with those derived from rawinsonde analyses. Still, some biases in profile shape are evident, and these may be resolved with (a) additional contextual information brought to the estimation problem and/or (b) physically consistent and representative databases supporting the algorithm. A model of the random error in instantaneous 0.5 deg. -resolution rain-rate estimates appears to be consistent with the levels of error determined from TMI comparisons with collocated radar. Error model modifications for nonraining situations will be required, however. Sampling error represents only a portion of the total error in monthly 2.5 -resolution TMI estimates; the remaining error is attributed to random and systematic algorithm errors arising from the physical inconsistency and/or nonrepresentativeness of cloud-resolving-model-simulated profiles that support the algorithm.

Yang, Song↗

Learning the ground state of a non-stoquastic quantum Hamiltonian in a rugged neural network landscape

Strongly interacting quantum systems described by non-stoquastic Hamiltonians exhibit rich low-temperature physics. Yet, their study poses a formidable challenge, even for state-of-the-art numerical techniques. Here, we investigate systematically the performance of a class of universal variational wave-functions based on artificial neural networks, by considering the frustrated spin- 1/2 1 / 2 J_1-J_2 J 1 − J 2 Heisenberg model on the square lattice. Focusing on neural network architectures without physics-informed input, we argue in favor of using an ansatz consisting of two decoupled real-valued networks, one for the amplitude and the other for the phase of the variational wavefunction. By introducing concrete mitigation strategies against inherent numerical instabilities in the stochastic reconfiguration algorithm we obtain a variational energy comparable to that reported recently with neural networks that incorporate knowledge about the physical system. Through a detailed analysis of the individual components of the algorithm, we conclude that the rugged nature of the energy landscape constitutes the major obstacle in finding a satisfactory approximation to the ground state wavefunction, and prevents learning the correct sign structure. In particular, we show that in the present setup the neural network expressivity and Monte Carlo sampling are not primary limiting factors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Beyond single tetrahedron physics of the breathing pyrochlore compound Ba 3 ⁢Yb 2 ⁢Zn 5 ⁢O 11

Recently, a new class of quantum magnets, the so-called breathing pyrochlore spin systems, have attracted much attention due to their potential to host exotic emergent phenomena. Here, we present magnetometry, heat capacity, thermal conductivity, muon-spin relaxation, and polarized inelastic neutron scattering measurements performed on high-quality single crystal samples of the breathing pyrochlore compound Ba 3 ⁢Yb 2 ⁢Zn 5 ⁢O 11 . We interpret these results using a simplified toy model and provide insight into the low-energy physics of this system beyond the single tetrahedron physics proposed previously.

36 MATERIALS SCIENCE↗

Physics-informed graph neural networks for predicting cetane number with systematic data quality analysis

Designing alternative fuels for advanced compression ignition engines necessitates a predictive model for cetane number (CN). In this study, the physics-informed graph neural networks are introduced for a reliable CN prediction by considering molecular features pertinent to the physical properties of molecules that affect CN. The reliability of measured data is another key factor to consider for improving the predictive model. Various experimental instruments for measuring CN exist, including standard and non-standard methods. In this regard, a systematic data quality analysis was carried out for the total 630 CNs collected from literature and new measurements in this study using Advanced Fuel Ignition Delay Analyzer (AFIDA). The results from this data curation process were reflected in the model by imposing lower sample weights on the data coming from less reliable measurement techniques. This approach effectively maximized the prediction accuracy while incorporating data from all available sources. Using the sample weights decreased the mean absolute error (MAE) up to 0.8 CN units. The accuracy was also improved by introducing the CN-related physical properties (the number of hydrogen bond donors and acceptors); the test set MAE is 5.74 and 7.01 for the model with and without such properties, respectively. Investigating molecular structural effects on CN was also carried out to gain chemical insights into factors used to design new fuel candidates. The dimensionality reduction analysis of feature vectors showed a clear clustering in terms of functional groups and CN and the structural effect derived from the model was consistent with the physicochemical insights. Finally, this physics-informed model and data curation would be helpful for accurate CN prediction and inform rational fuel design.

97 MATHEMATICS AND COMPUTING↗

Effects of physical, chemical, and biological ageing on the mineralization of pine wood biochar by a Streptomyces isolate

If biochar is to be used for carbon (C) management, we must understand how weathering or ageing affects biochar C mineralization. Here, we incubated aged and unaged eastern white pine wood biochar produced at 350 and 550°C with a Streptomyces isolate, a putative biochar-decomposing microbe. Ageing was accelerated via three different processes, namely, (a) physical ageing–subjecting biochar to alternating freeze-thaw and wet-dry cycles, (b) chemical ageing–treating biochar with concentrated hydrogen peroxide and (c) biological ageing–incubating biochar in the presence of nutrients and microorganisms. Elemental composition and surface chemistry (Fourier Transform Infrared spectroscopy) of biochar samples were compared before and after ageing. Biochar C mineralization between ageing treatments was significantly different in the case of 350°C biochar ( p value = 0.03). Among the 350°C biochars, physical ageing resulted in the greatest increase (by 103%) in biochar C mineralization ( p value = 0.05). However, in the case of 550°C biochar, ageing did not result in a significant change in biochar C mineralization ( p value = 0.40). Biochar C mineralization was positively correlated with an increase in O/C ratio post-ageing ( r s = 0.86, p value = 0.01). In the case of 350°C biochar, surface oxidation during ageing enhanced biochar degradation by the isolate. For 550°C biochar, however, ageing did not significantly increase biochar C mineralization, likely due to high condensed aromatic C content and lower surface oxidation during ageing. The results from our study suggest that low temperature aged biochar is more susceptible to biological degradation by soil microbes. These findings have implications for the use of biochar for long term C storage in soils.

54 ENVIRONMENTAL SCIENCES↗

Data-directed search for new physics based on symmetries of the SM

We propose exploiting symmetries (exact or approximate) of the Standard Model (SM) to search for physics Beyond the Standard Model (BSM) using the data-directed paradigm (DDP). Symmetries are very powerful because they provide two samples that can be compared without requiring simulation. Focusing on the data, exclusive selections which exhibit significant asymmetry can be identified efficiently and marked for further study. Using a simple and generic test statistic which compares two matrices already provides good sensitivity, only slightly worse than that of the profile likelihood ratio test statistic which relies on the exact knowledge of the signal shape. This can be exploited for rapidly scanning large portions of the measured data, in an attempt to identify regions of interest. We also demonstrate that weakly supervised Neural Networks could be used for this purpose as well.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Adiabatic quantum decoherence in many non-interacting subsystems induced by the coupling with a common boson bath

Highlights: • System–environment quantum correlation: a main solid state NMR decoherence channel. • Non-separable system–environment model yields realistic spin decoherence rates. • New open quantum system approach explains irreversible decay of refocused NMR echoes. • Adiabatic quantum decoherence is inherently irreversible and eigen-selective. This work addresses adiabatic quantum decoherence of many-body spin systems coupled with a boson field in the framework of open quantum systems theory. We generalize the traditional spin-boson model by considering a system–environment interaction Hamiltonian that represents a partition of non-interacting subsystems and highlights the collective correlation that appears exclusively due to the coupling with a common environment. Remarkably, this simple, exactly solvable model encompasses relevant aspects of a many-body open quantum system and features the subtle quantum effects that arise when the size scales up to a macroscopic level. We derive an analytical expression for the time dependence of the density matrix elements (in the preferred basis) without assuming coarse-graining. The resulting decoherence function is eigen-selective and is a complex exponential whose exponent has a real part that introduces a decay similar to that in the spin-boson model. On the contrary, the imaginary part depends on the quantum numbers and geometry of the whole partition and does not reflect the system temperature. Motivated by decoherence in solid-state NMR, and in search of realistic numerical estimations, we apply the theoretical results to a partition of dipole-coupled spin pairs in contact with a common phonon bath, using typical parameters of hydrated salts. The proposal allows estimating the decoherence time scale in terms of the system physical constants: sound velocity and eigenvalue distribution width. As a significant novelty, the decoherence function phase depends on the eigenvalue distribution throughout the sample. It plays the leading role, overshadowing the mechanism associated with the bath thermal state. Finally, we apply the formalism to describe decoherence in the “magic echo” NMR reversal experiment. We find that the system–environment correlation explains the origin of irreversibility, and both the decoherence rate value and its dependence on the dipolar frequency, are remarkably similar to the experiment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Space Environment Effects on Stability of Medications Flown on Space Shuttles and the International Space Station (ISS)

The purpose is to assess physical and chemical degradation of select pharmaceutical formulations from the Shuttle and ISS medical kits. Eleven pharmaceuticals dispensed as different dosage forms were selected based on their physical / chemical characteristics and susceptibility to environmental factors such as, temperature, humidity and light sensitivity. When available, ground-controls of the study medications with matching brand and lot numbers were used for comparison. Samples retrieved from flight were stored along with their matching controls in a temperature and humidity controlled environmental chamber. Temperature, humidity, and radiation data from the Shuttle and ISS were retrieved from onboard HOBO U12 Temp/RH Data Loggers, and from passive dosimeters. Physical and chemical analyses of the pharmaceuticals were conducted using validated United States Pharmacopeia (USP) methods. Results indicated degradation of 6 of the 11 formulations returned from space flights. Four formulations, Amoxicillin / Clavulanate, promethazine, sulfamethoxazole / trimethoprim, and ciprofloxacin tablets depicted discoloration after flight. Chemical content analyses using High or Ultra Performance Liquid Chromatography (HPLC / UPLC) methods revealed that dosage forms of Amoxicillin / Clavulanate, promethazine, sulfamethoxazole / trimethoprim, lidocaine, ciprofloxacin and mupirocin contained less than 95% of manufacturer s labeled claim of active drug compound. Shuttle and ISS environments affect stability and shelf life of certain mediations flown on these missions. Data analysis is in progress to examine the effect of specific space flight environmental factors on pharmaceutical stability. The degradation profiles generated from ground studies in analog environments will be useful in establishing predictive shelf-life profiles for medications intended for use during long-term space exploration missions.

Daniels, Vernie↗

Micromechanical Surrogate Machine Learning Model for Creep Deformation Modeling

Process variability during the manufacture of gas turbine engine hot section components can significantly affect the material’s resulting microstructure. In casting, for instance, geometric variation within a component (thin sections versus thick sections, radial location) influences cooling rates and the resulting grain size. The high temperature creep response is known to be sensitive to grain size owing to a diffusional creep mechanism which occurs more readily along grain boundaries. Microstructural variation correspondingly drives mechanical behavior which propagates into component scale performance uncertainty. These factors are essential when planning inspection, maintenance, and repair strategies within a reliability framework. These benefits provide opportunities to increase overall energy efficiency through refined margins. Critically, there is an opportunity to bolster existing data-driven reliability models using physics-driven process-structure-property relations. Here we present recent work establishing a framework for evaluating the probabilistic creep performance of high-temperature materials. A novel microstructure-sensitive crystal plasticity finite element model is established that captures both grain boundary and crystallographic deformation effects. The computationally expensive physics model is calibrated using a statistical approach and this high-fidelity model is subsequently used to train a computationally efficient machine learning surrogate model. The surrogate model is essential for sampling a large ensemble of simulated structure-property pair results. The ensemble data are then mined to extract salient trends to be incorporated into a microstructure-sensitive reliability model. The proposed approach represents a novel way to capture microstructure-sensitive trends from physics-based models within a modern reliability framework.

Fernandez-Zelaia, Patxi [ORNL]↗

A new cw-NMR Q-meter for dynamically polarized targets for particle physics

Polarized solid targets produced via Dynamic Nuclear Polarization rely on Continuous-Wave Nuclear Magnetism Resonance measurements to accurately determine the degree of polarization of bulk samples polarized to nearly 100%. Since the late 1970's phase sensitive detection methods have been utilized to observe the magnetization of a sample as a small change in inductance under RF excitation near the Larmor frequency of the nuclear species of interest, using a device known as a Q-meter. Liverpool Q-meters, produced in the UK in the 80's and 90's, have been the workhorse devices for these targets for decades, however their age and scarcity has meant new systems are needed. In conclusion, we describe a Q-meter system designed and built at Jefferson Lab in the Liverpool style to have comparable electronic performance with several improvements to update and adapt the devices for modern use.

Dynamic nuclear polarization↗

Physical processes and timescales in planet and small-body accretion

A series of processes in the solar nebula transforms infallen interstellar grains into planets. Somewhat surprisingly, samples of planetary material from the very first stages of this processing and aggregration were preserved, and are accessible for study in the terrestrial laboratory. These are the chondritic meteoroids, which passed the last 4.5 Gyr safely stored in asteroids. Thermal processing of interstellar grains, sticky agglomeration of chondrules, Goldreich-Ward instability, and gravitational accretion of planetesimals into planets are discussed.

Wood, John A.↗

A Novel Method for Characterization of Superconductors: Physical Measurements and Modeling of Thin Films

A method for characterization of granular superconducting thin films has been developed which encompasses both the morphological state of the sample and its fabrication process parameters. The broad scope of this technique is due to the synergism between experimental measurements and their interpretation using numerical simulation. Two novel technologies form the substance of this system: the magnetically modulated resistance method for characterizing superconductors; and a powerful new computer peripheral, the Parallel Information Processor card, which provides enhanced computing capability for PC computers. This enhancement allows PC computers to operate at speeds approaching that of supercomputers. This makes atomic scale simulations possible on low cost machines. The present development of this system involves the integration of these two technologies using mesoscale simulations of thin film growth. A future stage of development will incorporate atomic scale modeling.

Kim, B. F.↗

Vapor Deposits in the Lunar Regolith

Since the Apollo missions, we have emphasized the following points, which are based on theoretical calculations and on laboratory studies of the properties of evaporated silicate deposits and of lunar samples. The mass of vapor generated by impacts on the lunar surface is comparable in magnitude to the mass of impact melt glasses; the physics of impact into a porous regolith requires that much of this vapor be retained in the soil rather than lost to space (as is widely believed); experimental coatings made from vaporized or sputtered lunar basalt contain abundant inclusions of submicroscopic, super paramagnetic metallic Fe; and this Fe may explain the magnetic signature, low albedo, reddened spectrum, and subdued absorption bands of lunar regolith. Our conclusions have been generally rejected by the lunar geochemical community for two reasons: there seemed to be no direct evidence for vapor deposits in Apollo samples, and it seemed that the lunar optical properties could be explained by the presence of impact melt glasses alone. However, advances in our understanding of the optical properties of glasses and of light scattering by planetary regoliths, and now the direct detection of vapor deposits, show that these objections are not valid. Vapor phase transport is a major process on the lunar surface, and unless its effects are taken into account, the chemical, magnetic, and optical properties of the regolith cannot be understood.

Hapke, Bruce↗

Semi-supervised permutation invariant particle-level anomaly detection

The development of analysis methods to distinguish potential beyond the Standard Model phenomena in a model-agnostic way can significantly enhance the discovery reach in collider experiments. However, the typical machine learning (ML) algorithms employed for this task require fixed length and ordered inputs that break the natural permutation invariance in collision events. To address this, a semi-supervised anomaly detection tool is presented that takes a variable number of particle-level inputs and leverages a signal model to encode this information into a permutation invariant, event-level representation via supervised training with a Particle Flow Network (PFN). Data events are then encoded into this representation and given as input to an autoencoder for unsupervised ANomaly deTEction on particLe flOw latent sPacE (ANTELOPE), classifying anomalous events based on a low-level and permutation invariant input modeling. Performance of the ANTELOPE architecture is evaluated on simulated samples of hadronic processes in a high energy collider experiment, showing good capability to distinguish disparate models of new physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Finding wombling boundaries in LHC data with Voronoi and Delaunay tessellations

We address the problem of finding a wombling boundary in point data generated by a general Poisson point process, a specific example of which is an LHC event sample distributed in the phase space of a final state signature, with the wombling boundary created by some new physics. We discuss the use of Voronoi and Delaunay tessellations of the point data for estimating the local gradients and investigate methods for sharpening the boundaries by reducing the statistical noise. The outcome from traditional wombling algorithms is a set of boundary cell candidates with relatively large gradients, whose spatial properties must then be scrutinized in order to construct the boundary and evaluate its significance. Here we propose an alternative approach where we simultaneously form and evaluate the significance of all possible boundaries in terms of the total gradient flux. We illustrate our method with several toy examples of both straight and curved boundaries with varying amounts of signal present in the data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗