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Design of object-oriented distributed simulation classes

Distributed simulation of aircraft engines as part of a computer aided design package is being developed by NASA Lewis Research Center for the aircraft industry. The project is called NPSS, an acronym for 'Numerical Propulsion Simulation System'. NPSS is a flexible object-oriented simulation of aircraft engines requiring high computing speed. It is desirable to run the simulation on a distributed computer system with multiple processors executing portions of the simulation in parallel. The purpose of this research was to investigate object-oriented structures such that individual objects could be distributed. The set of classes used in the simulation must be designed to facilitate parallel computation. Since the portions of the simulation carried out in parallel are not independent of one another, there is the need for communication among the parallel executing processors which in turn implies need for their synchronization. Communication and synchronization can lead to decreased throughput as parallel processors wait for data or synchronization signals from other processors. As a result of this research, the following have been accomplished. The design and implementation of a set of simulation classes which result in a distributed simulation control program have been completed. The design is based upon MIT 'Actor' model of a concurrent object and uses 'connectors' to structure dynamic connections between simulation components. Connectors may be dynamically created according to the distribution of objects among machines at execution time without any programming changes. Measurements of the basic performance have been carried out with the result that communication overhead of the distributed design is swamped by the computation time of modules unless modules have very short execution times per iteration or time step. An analytical performance model based upon queuing network theory has been designed and implemented. Its application to realistic configurations has not been carried out.

Schoeffler, James D.↗

Design of Object-Oriented Distributed Simulation Classes

Distributed simulation of aircraft engines as part of a computer aided design package being developed by NASA Lewis Research Center for the aircraft industry. The project is called NPSS, an acronym for "Numerical Propulsion Simulation System". NPSS is a flexible object-oriented simulation of aircraft engines requiring high computing speed. It is desirable to run the simulation on a distributed computer system with multiple processors executing portions of the simulation in parallel. The purpose of this research was to investigate object-oriented structures such that individual objects could be distributed. The set of classes used in the simulation must be designed to facilitate parallel computation. Since the portions of the simulation carried out in parallel are not independent of one another, there is the need for communication among the parallel executing processors which in turn implies need for their synchronization. Communication and synchronization can lead to decreased throughput as parallel processors wait for data or synchronization signals from other processors. As a result of this research, the following have been accomplished. The design and implementation of a set of simulation classes which result in a distributed simulation control program have been completed. The design is based upon MIT "Actor" model of a concurrent object and uses "connectors" to structure dynamic connections between simulation components. Connectors may be dynamically created according to the distribution of objects among machines at execution time without any programming changes. Measurements of the basic performance have been carried out with the result that communication overhead of the distributed design is swamped by the computation time of modules unless modules have very short execution times per iteration or time step. An analytical performance model based upon queuing network theory has been designed and implemented. Its application to realistic configurations has not been carried out.

Schoeffler, James D.↗

LEAVES: Lofted Environmental and Atmospheric Venus Sensors

LEAVES (Lofted Environmental Atmospheric Venus Sensors) is a design exercise with the goal of dramatically decreasing the cost of obtaining prioritized chemical and physical data in planetary atmospheres. Through the application of a swarm approach this concept parallelizes atmospheric exploration, with geographic coverage far exceeding what is possible with conventional monolithic platforms or sondes. Each unit in the swarm is exceptionally compact, with a powered payload mass of only a few tens of grams and a high-drag, semi-rigid structure that acts to slow each probe as it descends through the atmosphere. This structural design can collapse into a planar form to allow for efficient stowage prior to arrival at the target body. With a total per-unit mass of only 120 g, a fleet of 100 (or more) units can be very reasonably accommodated on a carrier spacecraft.Science operations, which begin when the LEAVES probes reach an altitude of 100 km, are targeted for the cloud-bearing region of Venus' atmosphere. During the roughly 9 hour, terminal velocity descent through the atmosphere, LEAVES collects data of the state and composition of the atmosphere in parallel across multiple units. These data would represent an unprecedented constraint on the distribution and concentration of targeted chemical species, and the detection of local and regional variations in both chemistry and physical properties.A novel and compelling result of this exercise was that the same optimization that produced a structure with an exceptionally low areal mass density (0.126 kg/m2) also resulted in a probe that can be deployed directly from an aerobraking orbit (~140 km at 5 km/s) without the need for aeroshell protection. This translates to a tremendous mass savings and gives LEAVES the flexibility to be carried as a secondary payload aboard either a descending surface probe or an orbital radar mapper. Because such missions are under active development or have already been proposed (but not flown), we infer that LEAVES is well positioned as a technology

Swarm↗

Constraining the Structure of the Transition Disk HD 135344B (SAO 206462) by Simultaneous Modeling of Multiwavelength Gas and Dust Observations

Context: Constraining the gas and dust disk structure of transition disks, particularly in the inner dust cavity, is a crucial step toward understanding the link between them and planet formation. HD 135344B is an accreting (pre-)transition disk that displays the CO 4.7 micrometer emission extending tens of AU inside its 30 AU dust cavity. Aims: We constrain HD 135344B's disk structure from multi-instrument gas and dust observations. Methods: We used the dust radiative transfer code MCFOST and the thermochemical code ProDiMo to derive the disk structure from the simultaneous modeling of the spectral energy distribution (SED), VLT/CRIRES CO P(10) 4.75 Micrometers, Herschel/PACS [O(sub I)] 63 Micrometers, Spitzer/IRS, and JCMT CO-12 J = 3−2 spectra, VLTI/PIONIER H-band visibilities, and constraints from (sub-)mm continuum interferometry and near-IR imaging. Results: We found a disk model able to describe the current gas and dust observations simultaneously. This disk has the following structure. (1) To simultaneously reproduce the SED, the near-IR interferometry data, and the CO ro-vibrational emission, refractory grains (we suggest carbon) are present inside the silicate sublimation radius (0.08 is less than R less than 0.2 AU). (2) The dust cavity (R is less than 30 AU) is filled with gas, the surface density of the gas inside the cavity must increase with radius to fit the CO ro-vibrational line profile, a small gap of a few AU in the gas distribution is compatible with current data, and a large gap of tens of AU in the gas does not appear likely. (4) The gas-to-dust ratio inside the cavity is >100 to account for the 870 Micrometers continuum upper limit and the CO P(10) line flux. (5) The gas-to-dust ratio in the outer disk (30 is less than R less than 200 AU) is less than 10 to simultaneously describe the [O(sub I)] 63 Micrometers line flux and the CO P(10) line profile. (6) In the outer disk, most of the gas and dust mass should be located in the midplane, and a significant fraction of the dust should be in large grains. Conclusions: Simultaneous modeling of the gas and dust is required to break the model degeneracies and constrain the disk structure. An increasing gas surface density with radius in the inner cavity echoes the effect of a migrating Jovian planet in the disk structure. The low gas mass (a few Jupiter masses) throughout the HD 135344B disk supports the idea that it is an evolved disk that has already lost a large portion of its mass.

inner dust cavity↗

Characteristic structures of the highland boundary on Mars: Evidence against a single mega-impact event?

It has been suggested that an early mega-impact event might explain the fumdamental crustal dichotomy on Mars. Detailed morphological mapping of the structures which characterize the boundary between the cratered highlands and northern plains does not support this idea: the distribution of these features along and especially away from the boundary is more consistent with a larger number of smaller but overlapping impacts. A data base was assembled for the study of the highland boundary through quantitative mapping (including crater counts) based on the 1:2 M controlled photomosaics. Whole and partial craters larger than 10 km in diameter, knobby terrain, detached plateaus and intervening plains-forming units have been identified wherever they occur on Mars between +65 and -45 deg latitude. There is evidence for occurrences of possible old cratered terrain (or its remanents) at high latitudes well north of the current or likely former location of the proposed Borealis Basin rim which are difficult to reconcile with an impact structure of the proposed size and location.

Semeniuk, Ann Marie↗

In-beam γ-ray spectroscopy of 32 Mg via direct reactions

Background: The nucleus 32 Mg (N=20 and Z=12) plays a central role in the so-called “island of inversion,” where in the ground states sd-shell neutrons are promoted to the fp-shell orbitals across the shell gap, resulting in the disappearance of the canonical neutron magic number N=20. Purpose: The primary goals of this work are to extend the level scheme of 32Mg, provide spin-parity assignments to excited states, and discuss the microscopic structure of each state through comparisons with theoretical calculations. Method: In-beam γ-ray spectroscopy of 32 Mg was performed using two direct-reaction probes: one-neutron (two-proton) knockout reactions on 33 Mg ( 34 Si). Final-state exclusive cross sections and parallel momentum distributions were extracted from the experimental data and compared with eikonal-based reaction model calculations combined with shell-model overlap functions. Results: Owing to the remarkable selectivity of the one-neutron and two-proton knockout reactions, a significantly updated level scheme for 32 Mg, which exhibits negative-parity intruder and positive-parity normal states, was constructed. The experimental results were confronted with four different nuclear structure models. Conclusions: In some of these models, different aspects of 32 Mg and the transition into the island of inversion are well described. However, unexplained discrepancies remain, and, even with the help of these state-of-the-art theoretical approaches, the structure of this key nucleus is not yet fully captured.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A statistical study of Pc 1-2 magnetic pulsations in the equatorial magnetosphere. I - Equatorial occurrence distributions. II - Wave properties

AMPTE CCE magnetic field data from a period spanning a complete local time revolution of the satellite orbit major axis are used to examine the occurrence distribution of transverse narrowband Pc 1-2 emissions in the equatorial magnetosphere from L = 3.5 to L = 9 at all local times. Three examples are presented to illustrate the properties of events occurring at dawn, noon, and dusk. The early afternoon outer magnetosphere is found to be the dominant site for electromagnetic ion cyclotron wave occurrence. Pc 1-2 exhibited a radial structure with a gap between high- and low-L events. The example intervals indicate that a significant local time variation of wave properties may exist. Distributions are presented of narrowband Pc 1-2 frequency, ellipticity, normalized frequency and spectral power vs local time, L, and magnetic latitude, using the data base of more than 9000 events obtained from AMPTE CCE magnetometer data. Events occurring in the region 0300-0900 MLT, L greater than 7 are distinctly different from the remainder of Pc 1-2. The unique features of this population are linear polarization at all latitudes and high normalized frequency, 0.4 to 0.5 on average.

Anderson, B. J.↗

Star Formation Activity in the Molecular Cloud G35.20–0.74: Onset of Cloud–Cloud Collision

To probe star formation (SF) processes, we present results of an analysis of the molecular cloud G35.20−0.74 (hereafter MCG35.2) using multi-frequency observations. The MCG35.2 is depicted in a velocity range of 30–40 km s{sup −1}. An almost horseshoe-like structure embedded within the MCG35.2 is evident in the infrared and millimeter images and harbors the previously known sites, ultra-compact/hyper-compact G35.20−0.74N H ii region, Ap2-1, and Mercer 14 at its base. The site, Ap2-1, is found to be excited by a radio spectral type of B0.5V star where the distribution of 20 cm and Hα emission is surrounded by the extended molecular hydrogen emission. Using the Herschel 160–500 μm and photometric 1–24 μm data analysis, several embedded clumps and clusters of young stellar objects (YSOs) are investigated within the MCG35.2, revealing the SF activities. A majority of the YSOs clusters and massive clumps (500–4250 M{sub ⊙}) are seen toward the horseshoe-like structure. The position–velocity analysis of {sup 13}CO emission shows a blueshifted peak (at 33 km s{sup −1}) and a redshifted peak (at 37 km s{sup −1}) interconnected by lower intensity intermediate velocity emission, tracing a broad bridge feature. The presence of such a broad bridge feature suggests the onset of a collision between molecular components in the MCG35.2. A noticeable change in the H-band starlight mean polarization angles has also been observed in the MCG35.2, probably tracing the interaction between molecular components. Taken together, it seems that the cloud–cloud collision process has influenced the birth of massive stars and YSOs clusters in the MCG35.2.

79 ASTRONOMY AND ASTROPHYSICS↗

Hardware-Software Complex for Measurement of Energy and Angular Distributions of Charged Particles Formed in Nuclear Reactions

A hardware-software complex for measurement of energy and angular distributions of charged particles formed in nuclear reactions is presented. Hardware and software structures of the complex, the basic set of the modular nuclear-physical apparatus of a multichannel detecting system on the basis of ΔE–E telescopes of silicon detectors, and the hardware of experimental data collection, storage, and processing are presented and described.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quantitative Analysis of the Morphology of {101} and {001} Faceted Anatase TiO 2 Nanocrystals and Its Implication on Photocatalytic Activity

The atomistic structure and morphology (shape and size) of nanomaterials have strong influences on their physical and chemical properties. However, many characterization techniques focus exclusively on one length-scale regime or another when developing quantitative morphology/structural models. In this article, we demonstrate that powder X-ray diffraction and neutron pair distribution function (PDF) can be used to obtain accurate average morphology and atomistic structure of {001} and {101} faceted anatase TiO 2 nanocrystals based on differential evolution refinements using Debye scattering equation calculations. It is also demonstrated that the morphology polydispersity of TiO 2 nanocrystals can be effectively obtained from the diffraction data via a numerical refinement routine. The morphology refinement results are in good agreement with those from transmission electron microscopy and the modeling of small angle neutron scattering data. This method is successfully used to quantify the facet-specified photocatalytic hydrogen evolution activity of anatase TiO 2 nanocrystals with different {001} to {101} ratios. It is found that the sample with an intermediate amount of both {001} and {101} facets shows the best photocatalytic hydrogen evolution reaction (HER) activity. It is expected that the simultaneous structure and morphology refinement technique can be generally used to study the relationship between morphology and functionality of nanomaterials.

36 MATERIALS SCIENCE↗

Discovering Physically Meaningful Structures from Climate Extreme Data

The original proposal described an interdisciplinary team spanning UC San Diego (lead), Columbia University, and UC Irvine, with Columbia investigators including Pierre Gentine, Elias Bareinboim, and Marcus van Lier-Walqui. The proposal further specified a leadership structure in which Columbia co-investigators contributed across the three aims, with Co-PI Gentine serving as a point of contact with science teams and with responsibilities distributed across aims.

42 ENGINEERING↗

Progressive Tree-Based Compression of Large-Scale Particle Data

Scientific simulations and observations using particles have been creating large datasets that require effective and efficient data reduction to store, transfer, and analyze. However, current approaches either compress only small data well while being inefficient for large data, or handle large data but with insufficient compression. Toward effective and scalable compression/decompression of particle positions, we introduce new kinds of particle hierarchies and corresponding traversal orders that quickly reduce reconstruction error while being fast and low in memory footprint. Our solution to compression of large-scale particle data is a flexible block-based hierarchy that supports progressive, random-access, and error-driven decoding, where error estimation heuristics can be supplied by the user. For low-level node encoding, we introduce new schemes that effectively compress both uniform and densely structured particle distributions. Our proposed methods thus target all three phases of a tree-based particle compression pipeline, namely tree construction, tree traversal, and node encoding. In conclusion, the improved efficacy and flexibility of these methods over existing compressors are demonstrated through extensive experimentation, using a wide range of scientific particle datasets.

97 MATHEMATICS AND COMPUTING↗

Physics-informed graphical neural network for power system state estimation

State estimation is highly critical for accurately observing the dynamic behavior of the power grids and minimizing risks from cyber threats. However, existing state estimation methods encounter challenges in accurately capturing power system dynamics, primarily because of limitations in encoding the grid topology and sparse measurements. Here, this paper proposes a physics-informed graphical learning state estimation method to address these limitations by leveraging both domain physical knowledge and a graph neural network (GNN). We employ a GNN architecture that can handle the graph-structured data of power systems more effectively than traditional data-driven methods. The physics-based knowledge is constructed from the branch current formulation, making the approach adaptable to both transmission and distribution systems. The validation results of three IEEE test systems show that the proposed method can achieve lower mean square error more than 20% than the conventional methods.

43 PARTICLE ACCELERATORS↗

Selenium tolerance, accumulation, localization and speciation in a Cardamine hyperaccumulator and a non-hyperaccumulator

Cardamine violifolia (family Brassicaceae ) is the first discovered selenium hyperaccumulator from the genus Cardamine with unique properties in terms of selenium accumulation, i.e., high abundance of selenolanthionine. In our study, a fully comprehensive experiment was conducted with the comparison of a non-hyperaccumulator Cardamine species, Cardamine pratensis , covering growth characteristics, chlorophyll fluorescence, spatial selenium/sulfur distribution patterns through elemental analyses (synchrotron-based X-Ray Fluorescence and ICP-OES) and speciation data through selenium K-edge micro X-ray absorption near-edge structure analysis (μXANES) and strong cation exchange (SCX)-ICP-MS. The results revealed remarkable differences in contrast to other selenium hyperaccumulators as neither Cardamine pecies showed evidence of growth stimulation by selenium. Also, selenite uptake was not inhibited by phosphate for either of the Cardamine species. Sulfate inhibited selenate uptake, but the two Cardamine species did not show any difference in this respect. However, μXRF derived speciation maps and selenium/sulfur uptake characteristics provided results that are similar to other formerly reported hyperaccumulator and non-hyperaccumulator Brassicaceae species. μXANES showed organic selenium, “C-Se-C”, in seedlings of both species and also in mature C. violifolia plants. In contrast, selenate-supplied mature C. pratensis contained approximately half “C-Se-C” and half selenate. SCX-ICP-MS data showed evidence of the lack of selenocystine in any of the Cardamine plant extracts. Thus, C. violifolia shows clear selenium-related physiological and biochemical differences compared to C. pratensis and other selenium hyperaccumulators.

Environmental Sciences & Ecology↗

High-energy X-ray applications: current status and new opportunities

Characterization of semi and noncrystalline materials, monitoring structural phase transitions in situ , and obtaining structural information together with spatial distribution of the investigated material are only a few applications that hugely benefitted from the combination of high-energy X-rays and modern algorithms for data processing. This work examines the possibility of advancing these applications by shortening the data acquisition and improving the data quality by using the new high-energy PILATUS3 CdTe detector.

Šišak Jung, Dubravka (ORCID:000000018702183X)↗

Impedance-Based Detection of NO 2 Using Ni-MOF-74: Influence of Competitive Gas Adsorption

Chemically robust, low-power sensors are needed for the direct electrical detection of toxic gases. Metal–organic frameworks (MOFs) offer exceptional chemical and structural tunability to meet this challenge, though further understanding is needed regarding how coadsorbed gases influence or interfere with the electrical response. To probe the influence of competitive gases on trace NO 2 detection in a simulated flue gas stream, a combined structure–property study integrating synchrotron powder diffraction and pair distribution function analyses was undertaken, to elucidate how structural changes associated with gas binding inside Ni-MOF-74 pores correlate with the electrical response from Ni-MOF-74-based sensors. Data were evaluated for 16 gas combinations of N 2 , NO 2 , SO 2 , CO 2 , and H 2 O at 50 °C. Fourier difference maps from a rigid-body Rietveld analysis showed that additional electron density localized around the Ni-MOF-74 lattice correlated with large decreases in Ni-MOF-74 film resistance of up to a factor of 6 × 10 3 , observed only when NO 2 was present. These changes in resistance were significantly amplified by the presence of competing gases, except for CO 2 . Without NO 2 , H 2 O rapidly (<120 s) produced small (1–3×) decreases in resistance, though this effect could be differentiated from the slower adsorption of NO 2 by the evaluation of the MOF’s capacitance. Furthermore, samples exposed to H 2 O displayed a significant shift in lattice parameters toward a larger lattice and more diffuse charge density in the MOF pore. Evaluating the Ni-MOF-74 impedance in real time, NO 2 adsorption was associated with two electrically distinct processes, the faster of which was inhibited by competitive adsorption of CO 2 . Together, this work points to the unique interaction of NO 2 and other specific gases (e.g., H 2 O, SO 2 ) with the MOF’s surface, leading to orders of magnitude decrease in MOF resistance and enhanced NO2 detection. Finally, understanding and leveraging these coadsorbed gases will further improve the gas detection properties of MOF materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

KiDS-1000 cosmology: Combined second- and third-order shear statistics

Aims.In this work, we perform the first cosmological parameter analysis of the fourth release of Kilo Degree Survey (KiDS-1000) data with second- and third-order shear statistics. This paper builds on a series of studies aimed at describing the roadmap to third-order shear statistics. Methods.We derived and tested a combined model of the second-order shear statistic, namely, the COSEBIs and the third-order aperture mass statistics 〈ℳ ap 3 〉 in a tomographic set-up. We validated our pipeline withN-body mock simulations of the KiDS-1000 data release. To model the second- and third-order statistics, we used the latest version of HMCODE2020 for the power spectrum and BIHALOFITfor the bispectrum. Furthermore, we used an analytic description to model intrinsic alignments and hydro-dynamical simulations to model the effect of baryonic feedback processes. Lastly, we decreased the dimension of the data vector significantly by considering only equal smoothing radii for the 〈ℳ ap 3 〉 part of the data vector. This makes it possible to carry out a data analysis of the KiDS-1000 data release using a combined analysis of COSEBIs and third-order shear statistics. Results.We first validated the accuracy of our modelling by analysing a noise-free mock data vector, assuming the KiDS-1000 error budget, finding a shift in the maximum of the posterior distribution of the matter density parameter, ΔΩ m < 0.02 σ Ω m , and of the structure growth parameter, ΔS 8 < 0.05 σ S 8 . Lastly, we performed the first KiDS-1000 cosmological analysis using a combined analysis of second- and third-order shear statistics, where we constrained Ω m = 0.248 −0.055 +0.062 andS 8 = σ 8 √(Ω m /0.3 )= 0.772 ± 0.022. The geometric average on the errors of Ω m andS 8 of the combined statistics decreases, compared to the second-order statistic, by a factor of 2.2.

Astronomy & Astrophysics↗

Self-radiography of imploded shells on OMEGA based on additive-free multi-monochromatic continuum spectral analysis

Radiographs of pure-DT cryogenic imploding shells provide critical validation of progress toward ignition-scalable performance of inertial confinement fusion implosions. Cryogenic implosions on the OMEGA Laser System can be self-radiographed by their own core spectral emission near ≈2 keV. Utilizing the distinct spectral dependences of continuum emissivity and opacity, the projected optical-thickness distribution of imploded shells, i.e., the shell radiograph, can be distinguished from the structure of the core emission distribution in images.Importantly, this can be done without relying on spectral additives (shell dopants), as in previous applications of implosion self-radiography. Furthermore, demonstrations with simulated data show that this technique is remarkably well-suited to cryogenic implosions and can also be applied to self-radiography of imploded room-temperature CH shells at higher spectral energy (hv ≈ 3–5 keV) based on the very similar continuum spectrum of carbon. Experimental demonstration of additive-free self-radiography with warm CH shell implosions on OMEGA will provide an important proof of principle for future applications to cryogenic DT implosions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗