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Lessons from combined experimental and theoretical examination of the FTIR and 2D-IR spectroelectrochemistry of the amide I region of cytochrome c</em

Amide I difference spectroscopy is widely used to investigate protein function and structure changes. In this article, we show that the common approach of assigning features in amide I difference signals to distinct secondary structure elements in many cases may not be justified. Evidence comes from Fourier transform infrared (FTIR) and 2D-IR spectroelectrochemistry of the protein cytochrome c in the amide I range, in combination with computational spectroscopy based on molecular dynamics (MD) simulations. This combination reveals that each secondary structure unit, such as an alpha-helix or a beta-sheet, exhibits broad overlapping contributions, usually spanning a large part of the amide I region, which in the case of difference absorption experiments (such as in FTIR spectroelectrochemistry) may lead to intensity-compensating and even sign-changing contributions. We use cytochrome c as the test case, as this small electron-transferring redox-active protein contains different kinds of secondary structure units. Upon switching its redox-state, the protein exhibits a different charge distribution while largely retaining its structural scaffold. Our theoretical analysis suggests that the change in charge distribution contributes to the spectral changes and that structural changes are small. However, in order to confidently interpret FTIR amide I difference signals in cytochrome c and proteins in general, MD simulations in combination with additional experimental approaches such as isotope labeling, the insertion of infrared labels to selectively probe local structural elements will be required. In case these data are not available, a critical assessment of previous interpretations of protein amide I 1D- and 2D-IR difference spectroscopy data is warranted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Verification of Electromagnetic Physics Models for Parallel Computing Architectures in the GeantV Project

An intensive R&D and programming effort is required to accomplish new challenges posed by future experimental high-energy particle physics (HEP) programs. The GeantV project aims to narrow the gap between the performance of the existing HEP detector simulation software and the ideal performance achievable, exploiting latest advances in computing technology. The project has developed a particle detector simulation prototype capable of transporting in parallel particles in complex geometries exploiting instruction level microparallelism (SIMD and SIMT), task-level parallelism (multithreading) and high-level parallelism (MPI), leveraging both the multi-core and the many-core opportunities. We present preliminary verification results concerning the electromagnetic (EM) physics models developed for parallel computing architectures within the GeantV project. In order to exploit the potential of vectorization and accelerators and to make the physics model effectively parallelizable, advanced sampling techniques have been implemented and tested. In this paper we introduce a set of automated statistical tests in order to verify the vectorized models by checking their consistency with the corresponding Geant4 models and to validate them against experimental data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

On the estimation of statistical uncertainties on powder diffraction and small-angle scattering data from two-dimensional X-ray detectors

Optimal methods are explored for obtaining one-dimensional powder pattern intensities from two-dimensional planar detectors with good estimates of their standard deviations. Methods are described to estimate uncertainties when the same image is measured in multiple frames as well as from a single frame. The importance of considering the correlation of diffraction points during the integration and the resampling process of data analysis is shown. It is found that correlations between adjacent pixels in the image can lead to seriously overestimated uncertainties if such correlations are neglected in the integration process. Off-diagonal entries in the variance–covariance (VC) matrix are problematic as virtually all data processing and modeling programs cannot handle the full VC matrix. It is shown that the off-diagonal terms come mainly from the pixel-splitting algorithm used as the default integration algorithm in many popular two-dimensional integration programs, as well as from rebinning and resampling steps later in the processing. When the full VC matrix can be propagated during the data reduction, it is possible to get accurate refined parameters and their uncertainties at the cost of increasing computational complexity. However, as this is not normally possible, the best approximate methods for data processing in order to estimate uncertainties on refined parameters with the greatest accuracy from just the diagonal variance terms in the VC matrix is explored.

Yang, X.↗

dxtbx : the diffraction experiment toolbox

Data formats for recording X-ray diffraction data continue to evolve rapidly to accommodate new detector technologies developed in response to more intense light sources. Processing the data from single-crystal X-ray diffraction experiments therefore requires the ability to read, and correctly interpret, image data and metadata from a variety of instruments employing different experimental representations. Tools that have previously been developed to address this problem have been limited either by a lack of extensibility or by inconsistent treatment of image metadata. The dxtbx software package provides a consistent interface to both image data and experimental models, while supporting a completely generic user-extensible approach to reading the data files. The library is written in a mixture of C++ and Python and is distributed as part of the cctbx under an open-source licence at http://cctbx.sourceforge.net.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DABAM: An open-source database of X-ray mirrors metrology

An open-source database containing metrology data for X-ray mirrors is presented. It makes available metrology data (mirror heights and slopes profiles) that can be used with simulation tools for calculating the effects of optical surface errors in the performances of an optical instrument, such as a synchrotron beamline. A typical case is the degradation of the intensity profile at the focal position in a beamline due to mirror surface errors. This database for metrology (DABAM) aims to provide to the users of simulation tools the data of real mirrors. The data included in the database are described in this paper, with details of how the mirror parameters are stored. An accompanying software is provided to allow simple access and processing of these data, calculate the most usual statistical parameters, and also include the option of creating input files for most used simulation codes. In conclusion, some optics simulations are presented and discussed to illustrate the real use of the profiles from the database.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Multi-Source Machine Learning and Thermoplastics Enhanced Aerostructure Manufacturing (mTEAM)

RTX Technology Research Center (RTRC), together with Collins Aerospace (Collins) and Oak Ridge National Laboratory (ORNL) has developed an Artificial Intelligence (AI) / Machine Learning (ML) guided solution to advance the manufacturing and assembly of high performance and lightweight thermoplastic composite (TPC) aerospace products. The solution aims to lower risk, cost and lead time for induction heating based welding and consolidation processes for TPC structure. The cost and lead time of part and material specific process development for induction welding (IW) and induction consolidation will be reduced by replacing traditional empirical methods with optimization methods that merge AI/ML and physics-based process simulations and process experiments with sensing and controls. TPC-IW process development is empirical in nature, and uncertainties in material & process behavior exist near & far from the induction coil. Physics-based simulations can be leveraged directly for process optimization but can be too computationally expensive to run in high fidelity and real time to do robust process optimization. The key impact of successful TPC induction consolidation and welding is cost & lead time reduction for part & material specific consolidation and welding recipes. This is an enabler for more rapid deployment of TPC structures via joining assembly, which can reduce energy & cost intensive usage of autoclaves & ovens. The solution aimed to advance the U.S. Department of Energy’s interests in using thermoplastics and automation in composite manufacturing for improvement of products for existing markets via increased production speeds, reduced costs, and lowered use of energy. Welded TPC structures can offer significant weight & energy savings for high-value commercial aerospace & industrial applications compared to metal & thermoset composite structures assembled by mechanical fastening and/or adhesive bonding. The project was organized into two Budget Periods. Budget Period 1 (BP1) was 15 months and its goal was to perform ML process optimization framework development & deployment on lab-coupon aerostructure components. A Go/No-Go Review was performed at the end of BP1 to verify fulfilment of key tasks & milestones to justify a Go Decision to move into the next Budget Period. Budget Period 2 (BP2) was 12 months and its goal was the deployment of the ML framework for ML process optimization of pilot industrial scale aerostructure components. The overall project aim was to develop & demonstrate ML-enhanced modeling framework that learns process-property mapping from multiple data sources at different fidelities. During BP1, the team accomplished key tasks & milestones to demonstrate the concept of multi-source ML for TPC aerostructure consolidation and assembly. First, the team completed documentation of induction based TPC heating requirements including baseline metrics to compare measured results against. Next the team completed demonstration of data generation from physics-based simulations for ML surrogate model generation and demonstrated the integration of physics-based simulation data into multi-source AI/ML algorithms. In parallel, the team established the lab-coupon scale induction welding system and completed a process to label and reduce generated data from physics-based simulation and experiments for ML surrogate models to enable multi-source ML model training & testing. To complete BP1, the team integrated physics-based simulation data and experimental data into multi-source ML algorithms. This was based on the team completing ML deployment of the induction welding on a lab system at RTRC and AI/ML deployment on existing induction welding line at Collins. ORNL visited both Collins and RTRC sites to witness the TPC induction welding process. Then, ORNL designed and constructed a new version of their vision-based sensing system better adapted to acquire process signals of the TPC induction welding process for process anomaly and defect detection. In BP2, the team accomplished key tasks & milestones to scale up multi-source ML for TPC aerostructure consolidation and assembly from the lab-coupon scale to the pilot-industrial scale. In BP2, the team demonstrated real time anomaly & defect detection via experiments performed by ORNL & RTRC. The team completed ML-optimization heating trials for TPC induction consolidation at Collins, and the team confirmed pilot industrial scale experimental data from Collins was compatible with the developed ML pipeline from RTRC. The team completed sub-element scale ML process optimization demonstration at RTRC, where the team leveraged RTRC’s robotic TPC welding setup to de-risk the ML process optimization by performing ML analysis of recorded temperatures to account for complex part features. Then, the team applied its ML-derived control strategies and ML process optimization framework at Collins to the pilot-industrial scale on a demo skin-stiffener part representative of a nacelle aerostructure fan cowl section. The key innovation is the AI/ML framework enabling effective process development of high performance, lightweight, energy efficient TPCs for composite aircraft structures.

36 MATERIALS SCIENCE↗

The Modern Research Data Portal: a design pattern for networked, data-intensive science

We describe best practices for providing convenient, high-speed, secure access to large data via research data portals. Here, we capture these best practices in a new design pattern, the Modern Research Data Portal, that disaggregates the traditional monolithic web-based data portal to achieve orders-of-magnitude increases in data transfer performance, support new deployment architectures that decouple control logic from data storage, and reduce development and operations costs. We introduce the design pattern; explain how it leverages high-performance data enclaves and cloud-based data management services; review representative examples at research laboratories and universities, including both experimental facilities and supercomputer sites; describe how to leverage Python APIs for authentication, authorization, data transfer, and data sharing; and use coding examples to demonstrate how these APIs can be used to implement a range of research data portal capabilities. Sample code at a companion web site, https://docs.globus.org/mrdp , provides application skeletons that readers can adapt to realize their own research data portals.

97 MATHEMATICS AND COMPUTING↗

Memory Optimization for Phase-field Simulations

Phase-field simulations are computationally and memory intensive applications. Many of the phase-field simulations being conducted in support of NEAMS were not capable of running on “normal clusters” with 2-4GB of RAM per core, and instead required specialized “big-memory” clusters with 64GB per core. To address this issue, the MOOSE team developed a new Python-based utility called MemoryLogger, and applied it to locate, diagnose, and eradicate memory bottlenecks within the MOOSE framework. MemoryLogger allows for a better understanding of the memory usage of an application being run in parallel across a cluster. Memory usage information is captured for every individual process in a parallel job, and communicated to the head node of the cluster. Console text output from the application itself is automatically matched with this memory usage information to produce a detailed picture of memory usage over time, making it straightforward to identify the subroutines which contribute most to the application’s peak memory usage. The information produced by the MemoryLogger quickly and effectively narrows the search for memory optimizations to the most data-intensive parts of the simulation.

99 GENERAL AND MISCELLANEOUS↗

Leveraging Google Earth Engine User Interface for Semiautomated Wetland Classification in the Great Lakes Basin at 10 m With Optical and Radar Geospatial Datasets

As one of the world’s largest freshwater ecosystems,the Great Lakes Basin houses hundreds of thousands of acres of wetlands that support a variety of crucial ecological and environmental functions at the local, regional, and global levels.Monitoring these wetlands is critical to conservation and restoration efforts, however current methods that rely on field monitoring are labor-intensive, costly, and often outdated. In this study, we present a graphical user interface constructed in Google Earth Engine called the Wetland Extent Tool (WET),which allows semi-automatic wetland classification according to a user-input area of interest and date range. WET composites datasets and conducts multi source, moderate resolution processing utilizing Landsat 8 OLI, Sentinel-2 MSI, Sentinel-1 C-SAR, and Shuttle Radar Topography Mission (SRTM) datasets to classify wetlands in the entire Great Lakes Basin. We evaluated classification results of wetlands, uplands, and open water from May-September 2019, and tested whether SRTM elevation, slope,or the Dynamic Surface Water Extent produced the most accurate results in each Great Lake Basin in conjunction with optical indices and radar composites. We found that elevation produced the most accurate classification in Lake Erie, Michigan,and Ontario, while slope performed best in Lake Huron and Superior. Lake Erie, Michigan, Ontario, and Huron achieved high overall accuracy and identification of wetlands. WET leverages cloud-computing for multi source processing of moderate resolution remote sensing data, and employs a user interface in Google Earth Engine that wetland managers and conservationists can use to monitor wetland extent in the Great Lakes Basin in near real-time.

Vanessa L Valenti↗

An Analytic Network Process approach for the environmental aspect selection problem — A case study for a hand blender

Life Cycle Assessment is a tool to assess, in a systematic way, the environmental aspects and its potential environmental impacts and resources used throughout a product's life cycle. It is widely accepted and considered as one of the most powerful tools to support decision-making processes used in ecodesign and sustainable production in order to learn about the most problematic parts and life cycle phases of a product and to have a projection for future improvements. However, since Life Cycle Assessment is a cost and time intensive method, companies do not intend to carry out a full version of it, except for large corporate ones. Especially for small and medium sized enterprises, which do not have enough budget for and knowledge on sustainable production and ecodesign approaches, focusing only on the most important possible environmental aspect is unavoidable. In this direction, finding the right environmental aspect to work on is crucial for the companies. In this study, a multi-criteria decision-making methodology, Analytic Network Process is proposed to select the most relevant environmental aspect. The proposed methodology aims at providing a simplified environmental assessment to producers. It is applied for a hand blender, which is a member of the Electrical and Electronic Equipment family. The decision criteria for the environmental aspects and relations of dependence are defined. The evaluation is made by the Analytic Network Process in order to create a realistic approach to inter-dependencies among the criteria. The results are computed via the Super Decisions software. Finally, it is observed that the procedure is completed in less time, with less data, with less cost and in a less subjective way than conventional approaches. - Highlights: • We present a simplified environmental assessment methodology to support LCA. • ANP is proposed to select the most relevant environmental aspect. • ANP deals well with the interdependencies between aspects and impacts. • The methodology is less subjective, less complicated, and less time–money consuming. • The proposed methodology is suitable for use by SMEs.

54 ENVIRONMENTAL SCIENCES↗

Earthquake Ground Motion Simulations on the Sierra High-Performance Computing System

Physics-based three-dimensional (3D) numerical simulations of earthquake ground motions provide an alternative to reliance on limited and highly scattered empirical data and models for seismic hazard assessment. We performed fully 3D earthquake ground motion simulations on the Sierra and Lassen high-performance computing (HPC) platforms at Livermore Computing. These new HPC platforms feature graphics processing unit (GPU) acceleration for improved performance. Ground motions were computed with SW4, a summation-by-parts finite difference code for anelastic wave propagation. SW4 was recently enhanced to run efficiently on GPU-accelerated platforms. We found that SW4 runs almost fifty (50) times faster in terms of node-hours on new GPU-accelerated platforms compared to conventional central processing unit (CPU) platforms with agreement of computed ground motion time-series to the full single precision which they are written. We focused on moment magnitude, M W , 7.0 earthquakes on the Hayward Fault. We were able to run three simulations resolving ground motions from static displacements (0 Hz) to frequencies of 10 Hz (wavelengths as short as 50 meters) making these Sierra calculations the highest resolution regional-scale earthquake simulations ever made for California. Results show good agreement between simulated ground motion intensities (peak ground velocity and acceleration, spectral response) and empirical models, including frequencies above 10 Hz. On Lassen we were able to run a suite of 52 M W 7.0 Hayward Fault earthquake simulations resolved 0-5 Hz for both plane-layered, one-dimensional (1D) and 3D Earth models. These simulations were used to develop a methodology for characterizing and removing systematic path and site effects which bias ground motion intensities. These simulations using the newly enhanced SW4 code allow us to run higher resolution seismic simulations with shorter run times, providing a new capability for seismic hazard and risk studies. Results were presented at scientific conferences and workshops and two publications are being prepared based on work performed in this project.

58 GEOSCIENCES↗

Extraction of Martian valley networks from digital topography

We have developed a novel method for delineating valley networks on Mars. The valleys are inferred from digital topography by an autonomous computer algorithm as drainage networks, instead of being manually mapped from images. Individual drainage basins are precisely defined and reconstructed to restore flow continuity disrupted by craters. Drainage networks are extracted from their underlying basins using the contributing area threshold method. We demonstrate that such drainage networks coincide with mapped valley networks verifying that valley networks are indeed drainage systems. Our procedure is capable of delineating and analyzing valley networks with unparalleled speed and consistency. We have applied this method to 28 Noachian locations on Mars exhibiting prominent valley networks. All extracted networks have a planar morphology similar to that of terrestrial river networks. They are characterized by a drainage density of approx.0.1/km, low in comparison to the drainage density of terrestrial river networks. Slopes of "streams" in Martian valley networks decrease downstream at a slower rate than slopes of streams in terrestrial river networks. This analysis, based on a sizable data set of valley networks, reveals that although valley networks have some features pointing to their origin by precipitation-fed runoff erosion, their quantitative characteristics suggest that precipitation intensity and/or longevity of past pluvial climate were inadequate to develop mature drainage basins on Mars.

Stepinski, T. F.↗

TU-F-BRD-01: Biomedical Informatics for Medical Physicists

Biomedical informatics encompasses a very large domain of knowledge and applications. This broad and loosely defined field can make it difficult to navigate. Physicists often are called upon to provide informatics services and/or to take part in projects involving principles of the field. The purpose of the presentations in this symposium is to help medical physicists gain some knowledge about the breadth of the field and how, in the current clinical and research environment, they can participate and contribute. Three talks have been designed to give an overview from the perspective of physicists and to provide a more in-depth discussion in two areas. One of the primary purposes, and the main subject of the first talk, is to help physicists achieve a perspective about the range of the topics and concepts that fall under the heading of 'informatics'. The approach is to de-mystify topics and jargon and to help physicists find resources in the field should they need them. The other talks explore two areas of biomedical informatics in more depth. The goal is to highlight two domains of intense current interest--databases and models--in enough depth into current approaches so that an adequate background for independent inquiry is achieved. These two areas will serve as good examples of how physicists, using informatics principles, can contribute to oncology practice and research. Learning Objectives: To understand how the principles of biomedical informatics are used by medical physicists. To put the relevant informatics concepts in perspective with regard to biomedicine in general. To use clinical database design as an example of biomedical informatics. To provide a solid background into the problems and issues of the design and use of data and databases in radiation oncology. To use modeling in the service of decision support systems as an example of modeling methods and data use. To provide a background into how uncertainty in our data and knowledge can be incorporated into modeling methods.

97 MATHEMATICS AND COMPUTING↗

Evaluating uncertainty-based active learning for accelerating the generalization of molecular property prediction

Deep learning models have proven to be a powerful tool for the prediction of molecular properties for applications including drug design and the development of energy storage materials. However, in order to learn accurate and robust structure–property mappings, these models require large amounts of data which can be a challenge to collect given the time and resource-intensive nature of experimental material characterization efforts. Additionally, such models fail to generalize to new types of molecular structures that were not included in the model training data. The acceleration of material development through uncertainty-guided experimental design has the promise to significantly reduce the data requirements and enable faster generalization to new types of materials. To evaluate the potential of such approaches for electrolyte design applications, we perform comprehensive evaluation of existing uncertainty quantification methods on the prediction of two relevant molecular properties - aqueous solubility and redox potential. We develop novel evaluation methods to probe the utility of the uncertainty estimates for both in-domain and out-of-domain data sets. Finally, we leverage selected uncertainty estimation methods for active learning to evaluate their capacity to support experimental design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Resonance Effects in the NASA Transonic Flutter Cascade Facility

Investigations of unsteady pressure loadings on the blades of fans operating near the stall flutter boundary are carried out under simulated conditions in the NASA Transonic Flutter Cascade facility (TFC). It has been observed that for inlet Mach numbers of about 0.8, the cascade flowfield exhibits intense low-frequency pressure oscillations. The origins of these oscillations were not clear. It was speculated that this behavior was either caused by instabilities in the blade separated flow zone or that it was a tunnel resonance phenomenon. It has now been determined that the strong low-frequency oscillations, observed in the TFC facility, are not a cascade phenomenon contributing to blade flutter, but that they are solely caused by the tunnel resonance characteristics. Most likely, the self-induced oscillations originate in the system of exit duct resonators. For sure, the self-induced oscillations can be significantly suppressed for a narrow range of inlet Mach numbers by tuning one of the resonators. A considerable amount of flutter simulation data has been acquired in this facility to date, and therefore it is of interest to know how much this tunnel self-induced flow oscillation influences the experimental data at high subsonic Mach numbers since this facility is being used to simulate flutter in transonic fans. In short, can this body of experimental data still be used reliably to verify computer codes for blade flutter and blade life predictions? To answer this question a study on resonance effects in the NASA TFC facility was carried out. The results, based on spectral and ensemble averaging analysis of the cascade data, showed that the interaction between self-induced oscillations and forced blade motion oscillations is very weak and can generally be neglected. The forced motion data acquired with the mistuned tunnel, when strong self-induced oscillations were present, can be used as reliable forced pressure fluctuations provided that they are extracted from raw data sets by an ensemble averaging procedure.

Lepicovsky, J.↗

SU-E-T-395: Multi-GPU-Based VMAT Treatment Plan Optimization Using a Column-Generation Approach

Purpose: GPU has been employed to speed up VMAT optimizations from hours to minutes. However, its limited memory capacity makes it difficult to handle cases with a huge dose-deposition-coefficient (DDC) matrix, e.g. those with a large target size, multiple arcs, small beam angle intervals and/or small beamlet size. We propose multi-GPU-based VMAT optimization to solve this memory issue to make GPU-based VMAT more practical for clinical use. Methods: Our column-generation-based method generates apertures sequentially by iteratively searching for an optimal feasible aperture (referred as pricing problem, PP) and optimizing aperture intensities (referred as master problem, MP). The PP requires access to the large DDC matrix, which is implemented on a multi-GPU system. Each GPU stores a DDC sub-matrix corresponding to one fraction of beam angles and is only responsible for calculation related to those angles. Broadcast and parallel reduction schemes are adopted for inter-GPU data transfer. MP is a relatively small-scale problem and is implemented on one GPU. One headand- neck cancer case was used for test. Three different strategies for VMAT optimization on single GPU were also implemented for comparison: (S1) truncating DDC matrix to ignore its small value entries for optimization; (S2) transferring DDC matrix part by part to GPU during optimizations whenever needed; (S3) moving DDC matrix related calculation onto CPU. Results: Our multi-GPU-based implementation reaches a good plan within 1 minute. Although S1 was 10 seconds faster than our method, the obtained plan quality is worse. Both S2 and S3 handle the full DDC matrix and hence yield the same plan as in our method. However, the computation time is longer, namely 4 minutes and 30 minutes, respectively. Conclusion: Our multi-GPU-based VMAT optimization can effectively solve the limited memory issue with good plan quality and high efficiency, making GPUbased ultra-fast VMAT planning practical for real clinical use.

60 APPLIED LIFE SCIENCES↗

Advanced Optical Diagnostics for Ice Crystal Cloud Measurements in the NASA Glenn Propulsion Systems Laboratory

A light extinction tomography technique has been developed to monitor ice water clouds upstream of a direct connected engine in the Propulsion Systems Laboratory (PSL) at NASA Glenn Research Center (GRC). The system consists of 60 laser diodes with sheet generating optics and 120 detectors mounted around a 36-inch diameter ring. The sources are pulsed sequentially while the detectors acquire line-of-sight extinction data for each laser pulse. Using computed tomography algorithms, the extinction data are analyzed to produce a plot of the relative water content in the measurement plane. To target the low-spatial-frequency nature of ice water clouds, unique tomography algorithms were developed using filtered back-projection methods and direct inversion methods that use Gaussian basis functions. With the availability of a priori knowledge of the mean droplet size and the total water content at some point in the measurement plane, the tomography system can provide near real-time in-situ quantitative full-field total water content data at a measurement plane approximately 5 feet upstream of the engine inlet. Results from ice crystal clouds in the PSL are presented. In addition to the optical tomography technique, laser sheet imaging has also been applied in the PSL to provide planar ice cloud uniformity and relative water content data during facility calibration before the tomography system was available and also as validation data for the tomography system. A comparison between the laser sheet system and light extinction tomography resulting data are also presented. Very good agreement of imaged intensity and water content is demonstrated for both techniques. Also, comparative studies between the two techniques show excellent agreement in calculation of bulk total water content averaged over the center of the pipe.

Bencic, Timothy J.↗

A NICER View of the Massive Pulsar PSR J0740+6620 Informed by Radio Timing and XMM-Newton Spectroscopy

We report on Bayesian estimation of the radius, mass, and hot surface regions of the massive millisecond pulsar PSR J0740+6620, conditional on pulse-profile modeling of Neutron Star Interior Composition Explorer X-ray Timing Instrument event data. We condition on informative pulsar mass, distance, and orbital inclination priors derived from the joint North American Nanohertz Observatory for Gravitational Waves and Canadian Hydrogen Intensity Mapping Experiment/Pulsar wideband radio timing measurements of Fonseca et al. We use XMM-Newton European Photon Imaging Camera spectroscopic event data to inform our X-ray likelihood function. The prior support of the pulsar radius is truncated at 16 km to ensure coverage of current dense matter models. We assume conservative priors on instrument calibration uncertainty. We constrain the equatorial radius and mass of PSR J0740+6620 to be-+12.390.981.30km and-+2.0720.0660.067Me respectively, each reported as the posterior credible interval bounded by the 16% and 84% quantiles, conditional on surface hot regions that are non-overlapping spherical caps of fully ionized hydrogen atmosphere with uniform effective temperature; a posteriori, the temperature is=-+TlogK5.99100.060.05([])for each hot region. All software for the X-ray modeling framework is open-source and all data, model, and sample information is publicly available, including analysis notebooks and model modules in the Python language. Our marginal likelihood function of mass and equatorial radius is proportional to the marginal joint posterior density of those parameters(within the prior support)and can thus be computed from the posterior samples.

Millisecond pulsars↗