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At least 1,459 records · Page 81

Operation of the helicopter antenna radiation prediction code

HARP is a front end as well as a back end for the AMC and NEWAIR computer codes. These codes use the Method of Moments (MM) and the Uniform Geometrical Theory of Diffraction (UTD), respectively, to calculate the electromagnetic radiation patterns for antennas on aircraft. The major difficulty in using these codes is in the creation of proper input files for particular aircraft and in verifying that these files are, in fact, what is intended. HARP creates these input files in a consistent manner and allows the user to verify them for correctness using sophisticated 2 and 3D graphics. After antenna field patterns are calculated using either MM or UTD, HARP can display the results on the user's screen or provide hardcopy output. Because the process of collecting data, building the 3D models, and obtaining the calculated field patterns was completely automated by HARP, the researcher's productivity can be many times what it could be if these operations had to be done by hand. A complete, step by step, guide is provided so that the researcher can quickly learn to make use of all the capabilities of HARP.

Braeden, E. W.↗

Inelastic Neutron Scattering Study of Magnetic Exchange Pathways in MnS

We report an investigation of the magnetic structure and magnetic exchange pathways in MnS via neutron scattering methods, aided by density functional theory (DFT) modeling. The material has been confirmed to undergo antiferromagnetic (AFM) ordering at 152 K, with the magnetic structure representing AFM stacking of ferromagnetic (FM) (111) planes of Mn magnetic moments. Correspondingly, the magnetic structure is described by a propagation vector k = (1/2, 1/2, 1/2), with the volume of the magnetic unit cell being 8 times larger than the volume of the nuclear unit cell. Analysis of inelastic neutron scattering (INS) data collected on a powder sample of MnS revealed that the next-nearest-neighbor magnetic exchange constant (J 2 ) exceeds the nearest-neighbor exchange constant (J 1 ) by more than 3 times, while in the case of MnO, which exhibits the same nuclear and magnetic structures as MnS, the J 2 /J 1 ratio was reported to be below 1.5. Although for MnO the signs of both J 1 and J 2 indicated AFM exchange interactions, machine-learning INS data analysis in combination with DFT calculations suggests that the INS data collected on MnS are best described with J 1 < 0 and J 2 > 0, corresponding to FM and AFM exchange couplings, respectively. To achieve a satisfactory fit to the experimentally observed data, the Hamiltonian used to model the INS spectra also included the next-next-nearest-neighbor magnetic exchange constant (J 3 ). The best-fit model has been obtained with the values of the exchange constants J 1 = -0.27 meV, J 2 = 1.05 meV, and J 3 = -0.19 meV.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Compass Concurrent Engineering Lessons Learned in Remote and Hybrid Environments

The Compass Team at NASA’s Glenn Research Center (GRC) is a concurrent engineering team which specializes in conceptual spacecraft mission designs. Detailed descriptions of the team, its history, and its operating model can be found in [1] and [2]. During the COVID-19 pandemic, the team was required to move to remote (virtual) operation from their in-person model for approximately 22 months. As the restrictions began to lift and team members were able to return in-person to the Compass Lab, the team moved into a hybrid mode of operation, with some participants still tying in remotely some or all of the time. This paper discusses many of the lessons learned from these experiences, highlighting improvements, outstanding challenges and the tools and methodologies used to address both. Throughout this discussion the terms “in-person”, “hybrid”, “virtual” and “remote” will be used. For the purposes of this paper, “in-person” will be understood to mean when team members are interacting simultaneously, physically within the Compass Lab. “Remote” or “virtual” will refer to when interactions are happening between people who are not co-located using only technology to interface. “Hybrid” will refer to when two or more participants are physically located in the Compass Lab and one or more participant(s) is participating remotely. Media richness is described as “a medium’s ability to communicate effectively based of four factors. They are the capacity for immediate feedback, the number of cues and channels it utilizes, the degree of personalization it affords, and its ability to communicate using natural language” [3]. This theory will be referenced and discussed in multiple of the following sections due to its relevance when choosing how to operate in remote and hybrid modes, as well as in making tool selections. The key to selecting the best mode of communication lays in how complicated the discussion is and the level of ambiguity involved. Not all conversations or interactions require media rich mediums. For example, providing information about which there is little to no ambiguity can easily be done in less rich methods - such as email. A conversation including high levels of ambiguity and/or complex information is better suited to a richer medium, such as in-person or a video call with shared screens.

Concurrent Engineering↗

Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry

Graph deep learning models, which incorporate a natural inductive bias for atomic structures, are of immense interest in materials science and chemistry. Here, we introduce the Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry. Built on top of the popular Deep Graph Library (DGL) and Python Materials Genomics (Pymatgen) packages, MatGL is designed to be an extensible “batteries-included” library for developing advanced model architectures for materials property predictions and interatomic potentials. At present, MatGL has efficient implementations for both invariant and equivariant graph deep learning models, including the Materials 3-body Graph Network (M3GNet), MatErials Graph Network (MEGNet), Crystal Hamiltonian Graph Network (CHGNet), TensorNet and SO3Net architectures. MatGL also provides several pre-trained foundation potentials (FPs) with coverage of the entire periodic table, and property prediction models for out-of-box usage, benchmarking and fine-tuning. Finally, MatGL integrates with PyTorch Lightning to enable efficient model training.

chemistry↗

Calibration and Data Analysis of a Frequency Selectable Laser Source for CMB Detector Characterization

Cosmic Microwave Background (CMB) experiments study faint radiation left over from the early universe. The CMB was created when the universe became cool enough for light to travel freely through space, and today it gives scientists one of the earliest images of the universe. One important goal of modern CMB experiments is to measure this radiation with higher precision in order to search for evidence that supports the theory of cosmic inflation. To do this, scientists use extremely sensitive detectors that must be calibrated accurately. The Frequency Selectable Laser Source, or FLS, is a new calibration tool that can send selected frequencies to detectors and help measure their response. During my internship, I worked on the FLS after it returned to Fermilab from Chile, where it had been used to characterize detectors at the Simons Observatory. The system came back in parts, so the first part of my project was helping rebuild the optical and mechanical setup. After the system was rebuilt, we performed alignments to maximize the receiver photocurrent. We then collected calibration measurements over different frequency ranges, including 543 GHz to 568 GHz, 740 GHz to 766 GHz, and 60 GHz to 500 GHz. These measurements were used to check waterline calibration and reflectivity features and compare new data with previous data. Another major part of my project was learning Python so I could understand previous analysis code, modify it for new files, and write my own code to compare the mean response between datasets. The results showed that the new data was close to previous measurements and that waterline features near 556 GHz and 752 GHz were found within less than 1.5 GHz of the expected values. I also completed the reflectivity analysis for five prisms in two polarization orientations. In the original orientation, the results were consistent between the five prisms and close to values measured on a different system at the University of Chicago. I then collected a second set of measurements on my own with the polarization of the laser rotated by 90 degrees and compared them with the original data using the same Python workflow. The measured reflectivity increased for all five prisms in the new orientation, showing that the prism reflectivity depends on polarization. Future work will focus on using the FLS to characterize real CMB detectors.

Pumarino, Rafael [Unlisted]↗

Calibration and Data Analysis of a Frequency Selectable Laser Source for CMB Detector Characterization

Cosmic Microwave Background (CMB) experiments study faint radiation left over from the early universe. The CMB was created when the universe became cool enough for light to travel freely through space, and today it gives scientists one of the earliest images of the universe. One important goal of modern CMB experiments is to measure this radiation with higher precision in order to search for evidence that supports the theory of cosmic inflation. To do this, scientists use extremely sensitive detectors that must be calibrated accurately. The Frequency Selectable Laser Source, or FLS, is a new calibration tool that can send selected frequencies to detectors and help measure their response. During my internship, I worked on the FLS after it returned to Fermilab from Chile, where it had been used to characterize detectors at the Simons Observatory. The system came back in parts, so the first part of my project was helping rebuild the optical and mechanical setup. After the system was rebuilt, we performed alignments to maximize the receiver photocurrent. We then collected calibration measurements over different frequency ranges, including 543 GHz to 568 GHz, 740 GHz to 766 GHz, and 60 GHz to 500 GHz. These measurements were used to check waterline calibration and reflectivity features and compare new data with previous data. Another major part of my project was learning Python so I could understand previous analysis code, modify it for new files, and write my own code to compare the mean response between datasets. The results showed that the new data was close to previous measurements and that waterline features near 556 GHz and 752 GHz were found within less than 1.5 GHz of the expected values. I also completed the reflectivity analysis for five prisms in two polarization orientations. In the original orientation, the results were consistent between the five prisms and close to values measured on a different system at the University of Chicago. I then collected a second set of measurements on my own with the polarization of the laser rotated by 90 degrees and compared them with the original data using the same Python workflow. The measured reflectivity increased for all five prisms in the new orientation, showing that the prism reflectivity depends on polarization. Future work will focus on using the FLS to characterize real CMB detectors.

Pumarino Meza, Rafael [Unlisted, US; Fermilab]↗

Calibration and Data Analysis of a Frequency Selectable Laser Source for CMB Detector Characterization

Cosmic Microwave Background (CMB) experiments study faint radiation left over from the early universe. The CMB was created when the universe became cool enough for light to travel freely through space, and today it gives scientists one of the earliest images of the universe. One important goal of modern CMB experiments is to measure this radiation with higher precision in order to search for evidence that supports the theory of cosmic inflation. To do this, scientists use extremely sensitive detectors that must be calibrated accurately. The Frequency Selectable Laser Source, or FLS, is a new calibration tool that can send selected frequencies to detectors and help measure their response. During my internship, I worked on the FLS after it returned to Fermilab from Chile, where it had been used to characterize detectors at the Simons Observatory. The system came back in parts, so the first part of my project was helping rebuild the optical and mechanical setup. After the system was rebuilt, we performed alignments to maximize the receiver photocurrent. We then collected calibration measurements over different frequency ranges, including 543 GHz to 568 GHz, 740 GHz to 766 GHz, and 60 GHz to 500 GHz. These measurements were used to check waterline calibration and reflectivity features and compare new data with previous data. Another major part of my project was learning Python so I could understand previous analysis code, modify it for new files, and write my own code to compare the mean response between datasets. The results showed that the new data was close to previous measurements and that waterline features near 556 GHz and 752 GHz were found within less than 1.5 GHz of the expected values. I also completed the reflectivity analysis for five prisms in two polarization orientations. In the original orientation, the results were consistent between the five prisms and close to values measured on a different system at the University of Chicago. I then collected a second set of measurements on my own with the polarization of the laser rotated by 90 degrees and compared them with the original data using the same Python workflow. The measured reflectivity increased for all five prisms in the new orientation, showing that the prism reflectivity depends on polarization. Future work will focus on using the FLS to characterize real CMB detectors.

Pumarino Meza, Rafael [Unlisted, US; Fermilab]↗

Search for active and inactive ion insertion sites in organic crystalline materials

The position of mobile active and inactive ions, specifically ion insertion sites, within organic crystals, significantly affects the properties of organic materials used for energy storage and ionic transport. Identifying the positions of these atomic (and ionic) sites in an organic crystal is challenging, especially when the element has low X-ray scattering power, such as lithium (Li) and hydrogen, which are difficult to detect by powder X-ray diffraction. First-principles calculations, exemplified by density functional theory (DFT), are very practical for confirming the relative stability of ion positions in materials. However, the lack of effective strategies to identify ion sites in these organic crystalline frameworks renders this task extremely challenging. This work presents two algorithms: the (i) efficient location of ion insertion sites from extrema in electrostatic local potential and charge density (ELIISE), and the (ii) ElectRostatic InsertioN (ERIN), which leverage charge density and electrostatic potential fields accessed from first-principles calculations, combined with the Simultaneous Ion Insertion and Evaluation (SIIE) workflow. SIIE inserts all ions simultaneously—to determine ion positions in organic crystals. We demonstrate that these methods accurately reproduce known ion positions in 16 organic materials and identify previously overlooked low-energy sites in tetralithium 2,6-naphthalenedicarboxylate (Li4NDC), an organic electrode material, highlighting the importance of inserting all ions simultaneously, as in the SIIE workflow. These algorithms are also integrated with off-the-shelf machine learning potentials, yielding promising results comparable to first-principles findings.

Gopidi, Harshan Reddy [Argonne National Laboratory↗

Scalar bounded-from-below conditions from Bayesian active learning

We present a procedure leveraging Bayesian deep active learning to rapidly produce highly accurate approximate bounded-from-below conditions for arbitrary renormalizable scalar potentials, in the form of a neural network which may be saved and exported for use in arbitrary parameter space scans. We explore the performance of our procedure on three different scalar potentials with either highly nontrivial or unknown symbolic bounded-from-below conditions (the most general two-Higgs doublet model, the three-Higgs doublet model, and a version of the Georgi-Machacek model without custodial symmetry). We find that we can produce fast and highly accurate binary classifiers for all three potentials. Furthermore, for the potentials for which no known symbolic necessary and sufficient conditions on boundedness-from-below exist, our classifiers substantially outperform some common approximate analytical methods, such as producing tractable sufficient but not necessary conditions or evaluating boundedness-from-below conditions for scenarios in which only a subset of the theory’s fields achieve vacuum expectation values. Our methodology can be readily adapted to any renormalizable scalar field theory. For the community’s use, we have developed a package, BFBrain, which allows for the rapid implementation of our analysis procedure on user-specified scalar potentials with a high degree of customizability. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Integrating Theory and Practice: Applying the Quality Improvement Paradigm to Product Line Engineering

My assertion is that not only are product lines a relevant research topic, but that the tools used by empirical software engineering researchers can address observed practical problems. Our experience at NASA has been there are often externally proposed solutions available, but that we have had difficulties applying them in our particular context. We have also focused on return on investment issues when evaluating product lines, and while these are important, one can not attain objective data on success or failure until several applications from a product family have been deployed. The use of the Quality Improvement Paradigm (QIP) can address these issues: (1) Planning an adoption path from an organization's current state to a product line approach; (2) Constructing a development process to fit the organization's adoption path; (3) Evaluation of product line development processes as the project is being developed. The QIP consists of the following six steps: (1) Characterize the project and its environment; (2) Set quantifiable goals for successful project performance; (3) Choose the appropriate process models, supporting methods, and tools for the project; (4) Execute the process, analyze interim results, and provide real-time feedback for corrective action; (5) Analyze the results of completed projects and recommend improvements; and (6) Package the lessons learned as updated and refined process models. A figure shows the QIP in detail. The iterative nature of the QIP supports an incremental development approach to product lines, and the project learning and feedback provide the necessary early evaluations.

Stark, Michael↗

Progress in Constraining Nuclear Symmetry Energy Using Neutron Star Observables Since GW170817

The density dependence of nuclear symmetry energy is among the most uncertain parts of the Equation of State (EOS) of dense neutron-rich nuclear matter. It is currently poorly known especially at suprasaturation densities partially because of our poor knowledge about isovector nuclear interactions at short distances. Because of its broad impacts on many interesting issues, pinning down the density dependence of nuclear symmetry energy has been a longstanding and shared goal of both astrophysics and nuclear physics. New observational data of neutron stars including their masses, radii, and tidal deformations since GW170817 have helped improve our knowledge about nuclear symmetry energy, especially at high densities. Based on various model analyses of these new data by many people in the nuclear astrophysics community, while our brief review might be incomplete and biased unintentionally, we learned in particular the following: (1) The slope parameter L of nuclear symmetry energy at saturation density ρ0 of nuclear matter from 24 new analyses of neutron star observables was about L≈57.7±19 MeV at a 68% confidence level, consistent with its fiducial value from surveys of over 50 earlier analyses of both terrestrial and astrophysical data within error bars. (2) The curvature Ksym of nuclear symmetry energy at ρ0 from 16 new analyses of neutron star observables was about Ksym≈−107±88 MeV at a 68% confidence level, in very good agreement with the systematics of earlier analyses. (3) The magnitude of nuclear symmetry energy at 2ρ0, i.e., Esym(2ρ0)≈51±13 MeV at a 68% confidence level, was extracted from nine new analyses of neutron star observables, consistent with the results from earlier analyses of heavy-ion reactions and the latest predictions of the state-of-the-art nuclear many-body theories. (4) While the available data from canonical neutron stars did not provide tight constraints on nuclear symmetry energy at densities above about 2ρ0, the lower radius boundary R2.01=12.2 km from NICER’s very recent observation of PSR J0740+6620 of mass 2.08±0.07M⊙ and radius R=12.2–16.3 km at a 68% confidence level set a tight lower limit for nuclear symmetry energy at densities above 2ρ0. (5) Bayesian inferences of nuclear symmetry energy using models encapsulating a first-order hadron–quark phase transition from observables of canonical neutron stars indicated that the phase transition shifted appreciably both L and Ksym to higher values, but with larger uncertainties compared to analyses assuming no such phase transition. (6) The high-density behavior of nuclear symmetry energy significantly affected the minimum frequency necessary to rotationally support GW190814’s secondary component of mass (2.50–2.67) M⊙ as the fastest and most massive pulsar discovered so far. Overall, thanks to the hard work of many people in the astrophysics and nuclear physics community, new data of neutron star observations since the discovery of GW170817 have significantly enriched our knowledge about the symmetry energy of dense neutron-rich nuclear matter.

79 ASTRONOMY AND ASTROPHYSICS↗

A multilayer multi-configurational approach to efficiently simulate large-scale circuit-based quantum computers on classical machines

Here, a multilayer multi-configurational theory framework is adapted to simulate circuit-based quantum computers. Quantum addition of superpositions of an exponential number of summands is performed in polynomial time with high accuracy. We demonstrate numerically accurate calculations including up to one million qubits for entangling benchmarks. Simulation cost can be assessed by entropy-based entanglement measures. For the considered systems, we show that the entanglement only grows weakly with the system size. The present simulations demonstrate how quantum algorithms in low-entropy regimes can be used efficiently on classically simulated quantum computers.

97 MATHEMATICS AND COMPUTING↗

Spectral Mass-Gauging of Propellant Tanks

An overview of our recent results on the development of Spectral Mass-Gauging (SMG) technology for model-free gauging of propellants in microgravity applications will be presented. The technology is based on application a rigorous result from spectral theory – the Weyl’s Law – which relates the counting function of natural modes in a resonator with its volume. Development of the SMG includes theory of acoustic response of propellant tank, hardware and procedure characterization and optimization, development of data pre-processing approaches and software for automatic mode identification and counting. Main accomplishments in each field of the technology development will be presented. SMG has been tested recently in 1-g on a flight tank filled with water or LN2. We will present results of the tests and discuss their implications for the technology development. The presentation will conclude with a summary of the next steps in the technology maturation.

Mass-gauging↗

Measurement of the properties of Higgs boson production at $\sqrt{s}$ = 13 TeV in the H → γγ channel using 139 fb -1 of pp collision data with the ATLAS experiment

Measurements of Higgs boson production cross-sections are carried out in the diphoton decay channel using 139 fb -1 of pp collision data at $\sqrt{s}$ = 13 TeV collected by the ATLAS experiment at the LHC. The analysis is based on the definition of 101 distinct signal regions using machine-learning techniques. The inclusive Higgs boson signal strength in the diphoton channel is measured to be $1.04^{+0.10}_{-0.09}$. Cross-sections for gluon-gluon fusion, vector-boson fusion, associated production with a W or Z boson, and top associated production processes are reported. An upper limit of 10 times the Standard Model prediction is set for the associated production process of a Higgs boson with a single top quark, which has a unique sensitivity to the sign of the top quark Yukawa coupling. Higgs boson production is further characterized through measurements of Simplified Template Cross-Sections (STXS). In total, cross-sections of 28 STXS regions are measured. The measured STXS cross-sections are compatible with their Standard Model predictions, with a p-value of 93%. The measurements are also used to set constraints on Higgs boson coupling strengths, as well as on new interactions beyond the Standard Model in an effective field theory approach. No significant deviations from the Standard Model predictions are observed in these measurements, which provide significant sensitivity improvements compared to the previous ATLAS results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

JOINT APPOINTEE: Evolution of ferroelectric properties in SmxBi1-xFeO3 via automated Piezoresponse Force Microscopy across combinatorial spread libraries

Combinatorial spread libraries offer a innovative approach to explore the evolution of material properties over broad concentration, temperature, and growth parameter spaces. However, traditional limitation of this approach is the requirement for the read-out of functional properties across the library. Here we develop automated Piezoresponse Force Microscopy (PFM) for the exploration of combinatorial spread libraries and demonstrate its application in the SmxBi1-xFeO3 system with the ferroelectric-antiferroelectric morphotropic phase boundary. This approach relies on the synergy of the quantitative nature of PFM and the implementation of automated experiments that allow PFM-based sampling over macroscopic samples. The concentration dependence of pertinent ferroelectric parameters has been determined and used to develop the mathematical framework based on Ginzburg-Landau theory describing the evolution of these properties across the concentration space. We pose that a combination of automated scanning probe microscope and combinatorial spread library approach will emerge as an efficient research paradigm to close the characterization gap in the high-throughput materials discovery. We make the data sets open to the community and hope that this will stimulate other efforts to interpret and understand the physics of these systems.

Automated Microscopy, Combinatorial Library, Ferro↗

Learning to Predict Arbitrary Quantum Processes

We present an efficient machine-learning (ML) algorithm for predicting any unknown quantum process ℰ over 𝑛 qubits. For a wide range of distributions 𝒟 on arbitrary 𝑛-qubit states, we show that this ML algorithm can learn to predict any local property of the output from the unknown process ℰ, with a small average error over input states drawn from 𝒟. The ML algorithm is computationally efficient even when the unknown process is a quantum circuit with exponentially many gates. Our algorithm combines efficient procedures for learning properties of an unknown state and for learning a low-degree approximation to an unknown observable. The analysis hinges on proving new norm inequalities, including a quantum analogue of the classical Bohnenblust-Hille inequality, which we derive by giving an improved algorithm for optimizing local Hamiltonians. Numerical experiments on predicting quantum dynamics with evolution time up to 10 6 and system size up to 50 qubits corroborate our proof. Overall, our results highlight the potential for ML models to predict the output of complex quantum dynamics much faster than the time needed to run the process itself.

quantum computation↗

Time-Extended Payoffs for Collectives of Autonomous Agents

A collective is a set of self-interested agents which try to maximize their own utilities, along with a a well-defined, time-extended world utility function which rates the performance of the entire system. In this paper, we use theory of collectives to design time-extended payoff utilities for agents that are both aligned with the world utility, and are "learnable", i.e., the agents can readily see how their behavior affects their utility. We show that in systems where each agent aims to optimize such payoff functions, coordination arises as a byproduct of the agents selfishly pursuing their own goals. A game theoretic analysis shows that such payoff functions have the net effect of aligning the Nash equilibrium, Pareto optimal solution and world utility optimum, thus eliminating undesirable behavior such as agents working at cross-purposes. We then apply collective-based payoff functions to the token collection in a gridworld problem where agents need to optimize the aggregate value of tokens collected across an episode of finite duration (i.e., an abstracted version of rovers on Mars collecting scientifically interesting rock samples, subject to power limitations). We show that, regardless of the initial token distribution, reinforcement learning agents using collective-based payoff functions significantly outperform both natural extensions of single agent algorithms and global reinforcement learning solutions based on "team games".

Tumer, Kagan↗

Continuing the biological exploration of Mars

Mars has been an object of interest for the better part of this century. To a biologist, Mars assumes special importance because many aspects of the theory of chemical evolution for the origin of life can be tested there. The central idea of this theory is that life on a suitable planet arises through a process in which the so-called biogenic elements combine to form increasingly more complex molecules under the influence of naturally-occurring energy sources ultimately resulting in the formation of replicating organic molecules. The biogenic elements are present on Mars today. Furthermore, the available evidence also strongly suggests that Mars may have had an early history similar to that of the Earth, including a period in which large amounts of liquid water once flowed on its surface and a denser atmosphere and higher global temperatures prevailed. This is important since many lines of evidence indicate that living organisms were already present on the Earth within the first billion years after its formation at a time when the environment on Mars may have closely resembled that of Earth. Our current knowledge of the state of chemical evolution on Mars can best be described as paradoxical. Most of what we have learned has come from experiments performed on the Viking landers. The combination of planned investigations covered a broad range of techniques to detect signs of chemical evolution. The most surprising data from all of these was the absence of any detectable quantities of organic compounds at the two landing sites. On the other hand, the Viking experiments did indicate that the Martian surface samples contained unidentified strong oxidant(s) that could account for their absence.

Klein, Harold P.↗