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At least 1,135 records · Page 63

Expansion of Tabulated Scattering Matrices in Generalized Spherical Functions

An efficient way to solve the vector radiative transfer equation for plane-parallel turbid media is to Fourier-decompose it in azimuth. This methodology is typically based on the analytical computation of the Fourier components of the phase matrix and is predicated on the knowledge of the coefficients appearing in the expansion of the normalized scattering matrix in generalized spherical functions. Quite often the expansion coefficients have to be determined from tabulated values of the scattering matrix obtained from measurements or calculated by solving the Maxwell equations. In such cases one needs an efficient and accurate computer procedure converting a tabulated scattering matrix into the corresponding set of expansion coefficients. This short communication summarizes the theoretical basis of this procedure and serves as the user guide to a simple public-domain FORTRAN program.

scattering matrix↗

Using Best Basis Inventory Data to Direct Strategies for Real Time Monitoring of Hanford High Level Waste – 26226

The potential to accelerate the processing of low- and high-level tank waste by applying real-time monitoring (RTM) of chemical and physical properties has prompted research into the suitability of multiple analytical methods for that purpose. The broad variety of waste stream properties and the large number of analytes of interest (as evidenced by Waste Acceptance Criteria (WAC) and Process Control Limit (PCL) lists) lead to an overwhelming set of possible analytical scenarios. This report describes the use of Best Basis Inventory (BBI) data to find the most relevant analytical targets for the specific case of monitoring the blending of High Level Waste from multiple tanks prior to introduction into a vitrification facility. Campaigns for blending this waste to minimize the risk of exceeding WACs and PCLs have been proposed. However, the predicted compositions of the blended materials do not incorporate any uncertainties that may be associated with the representativeness of the waste layer samples or the laboratory analyses that generated the BBI data. Also, they do not include any uncertainty associated with the precision of collecting highly specific fractions of the layers during a blending campaign or any inhomogeneities that may exist in those layers. Monte Carlo methods are used to apply uncertainties to the compositions of the individual layers specified in the campaign recipes. The resulting variations in the compositions of the blended materials allow estimation of the risks of exceeding WACs and PCLs for each campaign. A critical subset of WACs/PCLs – NOx, NaK, AlFeZr, and S – are especially at risk of being exceeded in multiple campaigns. These analytes should be the focus of instrument development. We also have extracted the expected solid/supernate distribution for these analytes, which establishes important performance criteria for individual analytical methods. The BBI data also permits an understanding of the different chemical forms in which the analytes appear. Thus, the need to establish instrumental sensitivity to these forms can be gainfully addressed. Although concentrating on one specific application – the blending of tank waste - this approach should be generalizable for the analysis of other possible RTM applications for waste processing.

Lascola, Robert [Savannah River National Laborator↗

Recommendations Emerging from an Analysis of NASA's Deep Space Communications Capacity

During 2016-2017, NASA’s Space Communications and Navigation (SCaN) Office chartered a study of Deep Space Network (DSN) communications capacity relative to projected future-mission demand over the next 30 years. In this paper, we briefly describe the methodology used to analyze capacity vs. demand over such a broad timeframe, summarize key findings emerging from the analysis, and discuss the associated recommendations. Performing the analysis entailed: identifying key factors shaping the anticipated future mission set, identifying several alternative future mission set scenarios consistent with these factors, and then analyzing each mission set scenario in terms of required antenna capacity, downlink and uplink capabilities, and spectrum as a function of time. On the basis of these aggregate requirements, DSN loading simulations were then conducted that examined how well each of the postulated mission sets could load up onto the the DSN’s “in-plan” architecture. To the extent that capacity shortfalls emerged during these baseline simulations, architectural solutions to the shortfalls were then postulated and tested via additional simulations. In general, the trend analyses and baseline loading simulations indicated a significant progression in challenges over the next three decades. In the current decade, the DSN appeared to be operating very close to capacity. The first human exploration mission and its secondary payload launch opportunities for cubesats traveling beyond GEO contributed to this loading. As a consequence, the main challenge appeared to be managing peak assetcontention periods. In the next decade, the DSN continued to operate close to capacity but also began transitioning to more frequent human mission support. Upgrading for, and operating, a human-rated system while continuing to meet robotic mission customer requirements emerged as the key challenge. In the 2030’s and beyond, simulations suggested a need for fundamentally new capability and capacity. The high data rates and long link distances characteristic of human Mars exploration drove requirements far beyond what is currently “in plan.” The key challenge then became determining the most cost-effective combination of RF and optical assets for communicating with the postulated human Mars assets while still providing for the needs of all the other missions across the solar system. Various link budget, visibility, and loading analyses ultimately suggested that the human Mars exploration demands of the 2030’s could best be addressed with two cross-linked RF-optical areostationary relays (or an areostationary relay and deep space habitat) providing a dual “trunk link” to an array of 2-to-3 additional 34m beam waveguide antennas and an ~8.5m optical antenna at each DSN Complex. The dual “trunk link” would enable the same amount of total data return to Earth as a single trunk link at twice the data rate, but with only half the required array size on the ground, assuming use of Multiple Spacecraft Per Antenna (MSPA) techniques. MSPA techniques, including a Multiple Uplink Per Antenna (MUPA) technique currently under investigation, also showed promise for reducing asset contention in the decades prior to human Mars exploration.

Lee, Carlyn-Ann↗

Monomer-dimer tensor-network basis for qubit-regularized lattice gauge theories

Traditional SU⁡(𝑁) lattice gauge theories (LGTs) can be formulated using an orthonormal basis constructed from the irreducible representations (irreps) 𝑉 𝜆 of the SU⁡(𝑁) gauge symmetry. On a lattice, the elements of this basis are tensor networks comprising dimer tensors on the links labeled by a set of irreps {𝜆 ℓ } and monomer tensors on sites labeled by {𝜆 𝑠 }. These tensors naturally define a local site Hilbert space, ℋ$^𝑔_𝑠$, on which gauge transformations act. Gauss’s law introduces an additional index 𝛼 𝑠 =1,2,…,𝒟⁡(ℋ$^𝑔_𝑠$) that labels an orthonormal basis of the gauge-invariant subspace of ℋ$^𝑔_𝑠$. This monomer-dimer tensor-network (MDTN) basis, |{𝜆 𝑠 },{𝜆 ℓ },{𝛼 𝑠 }⟩, of the physical Hilbert space enables the construction of new qubit-regularized SU⁡(𝑁) gauge theories that are free of sign problems while preserving key features of traditional LGTs. Here, we investigate finite-temperature confinement-deconfinement transitions in a simple qubit-regularized SU(2) and SU(3) gauge theory in 𝑑 =2 and 𝑑 =3 spatial dimensions, formulated using the MDTN basis, and show that they reproduce the universal results of traditional LGTs at these transitions. Additionally, in 𝑑 =1, we demonstrate using a plaquette chain that the string tension at zero temperature can be continuously tuned to zero by adjusting a model parameter that plays the role of the gauge coupling in traditional LGTs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

TESS Data Release Notes:Reprocessing of Sectors 14–19, DR30 & DR33

TESS data release 30 (DR30) provides reprocessed data products of Sector 14 to 19. The updated data products were generated using version 4.0 of the science processing pipeline and conform to the final set of data anomaly flags defined over the last two years of TESS data analysis and pipeline development. Data release 33 (DR33) corresponds to a multisector search for transiting planets in the same reprocessed data. A detailed description of the changes in the data products in DR30 and DR33 is discussed in§2, and a brief list of changes is summarized here: The timestamps for 2 minute cadence and FFI data are more accurate. The differences between reprocessed data and previous data releases are less than 2.0 seconds in all cases. Photometric apertures were increased in size for targets with T mag<11. Three new Data Anomaly Flags were added to mitigate the effects of scattered light:–Cadences with strong scattered light signals or saturation effects that corrupt the calibration data are flagged and removed from analysis (bit 15, value 16384, “Bad Calibration Exclude”).–Scattered light data anomaly flags are customized for each target, and flagged automatically based on the local background level (bit 13, value 4096, ”Scattered light flag”).–Cadences with insufficient targets to derive cotrending basis vectors are flagged and the PDCSAP FLUX light curves are set to NULL at these times (bit 16, value 32768, “Insufficient Targets for Error Correction Exclude”). The planet search of the reprocessed light curves produced a different set of TCEs from the original processed data. Although there is a high degree of overlap between the original and reprocessed data (∼83% of targets produced TCEs in common), new TCEs were produced in DR30 and not every TCE from previous data releases was recovered. The same is true of the multisector search results from DR33 compared to DR28

TESS'↗

The Open Data Repository's Data Publisher

We have quickly gathered a diverse set of databases that have significant activity. Researchers are using them on a daily basis from collection through all phases of research. Focus on: (1) Linked data and semantic web integration are fundamental to our long term plans. (2) Citation system is critical before our first full release. Snapshot-based citation generation for data sets or objects. As we expand our feature set, expect the system will: (1) Provide a very high level of provenance for any data housed in the software. (2) Make data management beneficial to the researcher throughout the research process. (3) Create living archives that allow citable snapshots of data and summaries of the changes since the snapshot was created.

Stone, N.↗

Nonadiabatic Dynamics in a Continuous Circularly Polarized Laser Field with Floquet Phase-Space Surface Hopping

Non-adiabatic chemical reactions involving continuous circularly polarized light (cw CPL) have not attracted as much attention as dynamics in unpolarized/linearly polarized light. However, including circularly (in contrast to linearly) polarized light allows one to effectively introduce a complex-valued time-dependent Hamiltonian, which offers a new path for control or exploration through the introduction of Berry forces. Here, we investigate several inexpensive semiclassical approaches for modeling such nonadiabatic dynamics in the presence of a time-dependent complex-valued Hamiltonian, beginning with a straightforward instantaneous adiabatic fewest-switches surface hopping (IA-FSSH) approach (where the electronic states depend on position and time), continuing to a standard Floquet fewest switches surface hopping (F-FSSH) approach (where the electronic states depend on position and frequency), and ending with an exotic Floquet phase-space surface hopping (F-PSSH) approach (wherethe electronic states depend on position, frequency, and momentum). Using a set of model systems with time-dependent complex-valued Hamiltonians, we show that the Floquet phase- space adiabats are the optimal choice of basis as far as accounting for Berry phase effects and delivering accuracy. Furthermore, the F-PSSH algorithm sets the stage for modeling nonadiabatic dynamics under strong externally pumped circular polarization in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Development of Project Orion Ground Safety Requirements

In spite of a very compressed schedule, Project Orion's AFT safety team was able to pull together a comprehensive set of ground safety requirements using existing requirements and subject matter experts. These requirements will serve as the basis for the design of GSE and ground operations. Using the above lessons as a roadmap, new Projects can produce the same results. A rigorous set of ground safety requirements is required to assure ground support equipment (GSE) and associated flight hardware ground operations are conducted safety

Kirkpatrick, Paul↗

Chlorophyll fluorescence imaging captures photochemical efficiency of grain sorghum (Sorghum bicolor) in a field setting

Abstract Background Photosynthesis is one of the most important biological reactions and forms the basis of crop productivity and yield on which a growing global population relies. However, to develop improved plant cultivars that are capable of increased productivity, methods that can accurately and quickly quantify photosynthetic efficiency in large numbers of genotypes under field conditions are needed. Chlorophyll fluorescence imaging is a rapid, non-destructive measurement that can provide insight into the efficiency of the light-dependent reactions of photosynthesis. Results To test and validate a field-deployed fluorescence imaging system on the TERRA-REF field scanalyzer, leaves of potted sorghum plants were treated with a photosystem II inhibitor, DCMU, to reduce photochemical efficiency (F V /F M ). The ability of the fluorescence imaging system to detect changes in fluorescence was determined by comparing the image-derived values with a handheld fluorometer. This study demonstrated that the imaging system was able to accurately measure photochemical efficiency (F V /F M ) and was highly correlated ( r = 0.92) with the handheld fluorometer values. Additionally, the fluorescence imaging system was able to track the decrease in photochemical efficiency due to treatment of DCMU over a 7 day period. Conclusions The system’s ability to capture the temporal dynamics of the plants’ response to this induced stress, which has comparable dynamics to abiotic and biotic stressors found in field environments, indicates the system is operating correctly. With the validation of the fluorescence imaging system, physiological and genetic studies can be undertaken that leverage the fluorescence imaging capabilities and throughput of the field scanalyzer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A method of classification for multisource data in remote sensing based on interval-valued probabilities

An axiomatic approach to intervalued (IV) probabilities is presented, where the IV probability is defined by a pair of set-theoretic functions which satisfy some pre-specified axioms. On the basis of this approach representation of statistical evidence and combination of multiple bodies of evidence are emphasized. Although IV probabilities provide an innovative means for the representation and combination of evidential information, they make the decision process rather complicated. It entails more intelligent strategies for making decisions. The development of decision rules over IV probabilities is discussed from the viewpoint of statistical pattern recognition. The proposed method, so called evidential reasoning method, is applied to the ground-cover classification of a multisource data set consisting of Multispectral Scanner (MSS) data, Synthetic Aperture Radar (SAR) data, and digital terrain data such as elevation, slope, and aspect. By treating the data sources separately, the method is able to capture both parametric and nonparametric information and to combine them. Then the method is applied to two separate cases of classifying multiband data obtained by a single sensor. In each case a set of multiple sources is obtained by dividing the dimensionally huge data into smaller and more manageable pieces based on the global statistical correlation information. By a divide-and-combine process, the method is able to utilize more features than the conventional maximum likelihood method.

Kim, Hakil↗

Measurement and Theory of Gas-Phase Ion Mobility Shifts Resulting from Isotopomer Mass Distribution Changes

The unanticipated discovery of recent ultra-high-resolution ion mobility spectrometry (IMS) measurements revealing that isotopomers-compounds that differ only in the isotopic substitution sites-can be separated has raised questions as to the physical basis for their separation. A study comparing IMS separations for two isotopomer sets in conjunction with theory and simulations accounting for ion rotational effects provides the first-ever prediction of rotation-mediated shifts. The simulations produce observable mobility shifts due to differences in gas–ion collision frequency and translational-to-rotational energy transfer. These differences can be attributed to distinct changes in the moment of inertia and center of mass between isotopomers. The simulations are in broad agreement with the observed experiments and consistent with relative mobility differences between isotopomers. These results provide a basis for refining IMS theory and a new foundation to obtain additional structural insights through IMS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Machine-learning-based spectral methods for partial differential equations

Spectral methods are an important part of scientific computing’s arsenal for solving partial differential equations (PDEs). However, their applicability and effectiveness depend crucially on the choice of basis functions used to expand the solution of a PDE. The last decade has seen the emergence of deep learning as a strong contender in providing efficient representations of complex functions. In the current work, we present an approach for combining deep neural networks with spectral methods to solve PDEs. In particular, we use a deep learning technique known as the Deep Operator Network (DeepONet) to identify candidate functions on which to expand the solution of PDEs. We have devised an approach that uses the candidate functions provided by the DeepONet as a starting point to construct a set of functions that have the following properties: (1) they constitute a basis, (2) they are orthonormal, and (3) they are hierarchical, i.e., akin to Fourier series or orthogonal polynomials. We have exploited the favorable properties of our custom-made basis functions to both study their approximation capability and use them to expand the solution of linear and nonlinear time-dependent PDEs. The proposed approach advances the state of the art and versatility of spectral methods and, more generally, promotes the synergy between traditional scientific computing and machine learning.

97 MATHEMATICS AND COMPUTING↗

Enriched immersed finite element and isogeometric analysis: algorithms and data structures

Immersed finite element methods provide a convenient analysis framework for problems involving geometrically complex domains, such as those found in topology optimization and microstructures for engineered materials. However, their implementation remains a major challenge due to, among other things, the need to apply nontrivial stabilization schemes and generate custom quadrature rules. This article introduces the robust and computationally efficient algorithms and data structures comprising an immersed finite element preprocessing framework. The input to the preprocessor consists of a background mesh and one or more geometries defined on its domain. The output is structured into groups of elements with custom quadrature rules formatted such that common finite element assembly routines may be used without or with only minimal modifications. The key to the preprocessing framework is the construction of material topology information, concurrently with the generation of a quadrature rule, which is then used to perform enrichment and generate stabilization rules. While the algorithmic framework applies to a wide range of immersed finite element methods using different types of meshes, integration, and stabilization schemes, the preprocessor is presented within the context of the extended isogeometric analysis. This method utilizes a structured B-spline mesh, a generalized Heaviside enrichment strategy considering the material layout within individual basis functions’ supports, and face-oriented ghost stabilization. Using a set of examples, the effectiveness of the enrichment and stabilization strategies is demonstrated alongside the preprocessor’s robustness in geometric edge cases. Additionally, the performance and parallel scalability of the implementation are evaluated.

Computer implementation↗

Experimental investigation of beam-ion losses induced by magnetic perturbations using the light ion beam probe technique in the ASDEX Upgrade tokamak

The impact of externally applied magnetic perturbations (MPs) on fast-ion losses has been investigated by means of the light ion beam probe (LIBP) technique in the ASDEX Upgrade tokamak. The LIBP technique allows to experimentally infer the fast-ion orbit displacement induced by MPs via first-orbit losses using scintillator based fast-ion loss detector (FILD) measurements. The fast-ion orbit displacement against different applied MP spectra has been studied. These shots were conducted in ELM mitigated H-mode plasmas. A rigid rotation of the MP coils was applied with a frequency of 1 Hz, with an n = 2 configuration and changing the differential phase between the upper and lower set of coils (ΔΦ ul ) on a shot-to-shot basis. Beam sources Q7 (tangential) and Q8 (radial) were used to probe different fast-ion orbits with FILD1. The measured fast-ion orbit displacement ranges from 3 to 20 mm approximately, and no qualitative difference is observed between ions from beam sources Q7 and Q8. The minimum is found for a ΔΦ ul ~ 50°, which is shifted with respect to the minimum of the plasma boundary displacement, found at ΔΦ ul ~ 0°. A first attempt to validate the orbit following code ASCOT—including the plasma response calculated with the MARS-F code—against these experimental measurements is performed. Finally, while the dependence of the first-orbit fast-ion displacement with ΔΦ ul does not match the experimental measurements, these simulations do capture other features such as the order of magnitude of the orbit displacement and the importance of the toroidal spectrum of the applied perturbation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dynamic Graph Sequence Data from Simulated Neutron Reflectometry Measurements

This dataset comprises dynamic graph sequences derived from simulated in-situ neutron reflectometry measurements, capturing the gradual evolution of a layer structure over time. Each graph sequence represents a synthetic sample, with node features detailing the scattering vector and corresponding reflectivity measurements, while adjacency matrices have corresponding reference material parameters attached as metadata. The dataset spans multiple sets, each with a different number of sequences, offering a comprehensive basis for training models that handle dynamic input sequences with embedded physics. This dataset is particularly suited for tackling inverse problems with hidden physical states that evolve over time, challenges that are typically difficult to address using conventional iterative fitting methods.

36 MATERIALS SCIENCE↗

Analytical Assessment of Impurities Found in Process Gases using the InfiTOF, a High Resolution, Low Mass, Variable Time-of-Flight Mass Spectrometer

The JEOL InfiToF is a high-resolution, low mass (HRLM) mass spectrometer (MS) with the application potential to meet analytical needs for tritium handling systems, such as those at the Savannah River Tritium Facilities (SRTE) and those used in fusion research. The Service Level Agreement (SLA) #144 line 27 “InfiTOF R&D” has concluded its first year of efforts under Tritium Recycle and Renewal. The project goals for FY22 were: (1) Production of a finalized modification list for tritium hardened components in the InfiTOF, (2) perform an assessment on impurity gases commonly found in process gases from Tritium Facilities and (3) begin developing a set of standardized work instructions that will be used as a basis for operations on the InfiTOF.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Experimental Clean Combustor Program (ECCP), phase 3

A double annular advanced technology combustor with low pollutant emission levels was evaluated in a series of CF6-50 engine tests. Engine lightoff was readily obtained and no difficulties were encountered with combustor staging. Engine acceleration and deceleration were smooth, responsive and essentially the same as those obtainable with the CF6-50 combustor. The emission reductions obtained in carbon monoxide, hydrocarbons, and nitrogen oxide levels were 55, 95, and 30 percent, respectively, at an idle power setting of 3.3 percent of takeoff power on an EPA parameter basis. Acceptable smoke levels were also obtained. The exit temperature distribution of the combustor was found to be its major performance deficiency. In all other important combustion system performance aspects, the combustor was found to be generally satisfactory.

Gleason, C. C.↗