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Precision QCD, Hadronic Structure & Forward QCD, Heavy Ions: Report of Energy Frontier Topical Groups 5, 6, 7 submitted to Snowmass 2021

This report was prepared on behalf of three Energy Frontier Topical Groups of the Snowmass 2021 Community Planning Exercise. It summarizes the status and implications of studies of strong interactions in high-energy experiments and QCD theory. We emphasize the rich landscape and broad impact of these studies in the decade ahead. Hadronic interactions play a central role in the high-luminosity Large Hadron Collider (LHC) physics program, and strong synergies exist between the (HL-)LHC and planned or proposed experiments at the U.S. Electron-Ion Collider, CERN forward physics experiments, high-intensity facilities, and future TeV-range lepton and hadron colliders. Prospects for precision determinations of the strong coupling and a variety of nonperturbative distribution and fragmentation functions are examined. We also review the potential of envisioned tests of new dynamical regimes of QCD in high-energy and high-density scattering processes with nucleon, ion, and photon initial states. The important role of the high-energy heavy-ion program in studies of nuclear structure and the nuclear medium, and its connections with QCD involving nucleons are summarized. We address ongoing and future theoretical advancements in multi-loop QCD computations, lattice QCD, jet substructure, and event generators. Cross-cutting connections between experimental measurements, theoretical predictions, large-scale data analysis, and high-performance computing are emphasized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Modern Radiation Therapy for Hodgkin Lymphoma: Field and Dose Guidelines From the International Lymphoma Radiation Oncology Group (ILROG)

Radiation therapy (RT) is the most effective single modality for local control of Hodgkin lymphoma (HL) and an important component of therapy for many patients. These guidelines have been developed to address the use of RT in HL in the modern era of combined modality treatment. The role of reduced volumes and doses is addressed, integrating modern imaging with 3-dimensional (3D) planning and advanced techniques of treatment delivery. The previously applied extended field (EF) and original involved field (IF) techniques, which treated larger volumes based on nodal stations, have now been replaced by the use of limited volumes, based solely on detectable nodal (and extranodal extension) involvement at presentation, using contrast-enhanced computed tomography, positron emission tomography/computed tomography, magnetic resonance imaging, or a combination of these techniques. The International Commission on Radiation Units and Measurements concepts of gross tumor volume, clinical target volume, internal target volume, and planning target volume are used for defining the targeted volumes. Newer treatment techniques, including intensity modulated radiation therapy, breath-hold, image guided radiation therapy, and 4-dimensional imaging, should be implemented when their use is expected to decrease significantly the risk for normal tissue damage while still achieving the primary goal of local tumor control. The highly conformal involved node radiation therapy (INRT), recently introduced for patients for whom optimal imaging is available, is explained. A new concept, involved site radiation therapy (ISRT), is introduced as the standard conformal therapy for the scenario, commonly encountered, wherein optimal imaging is not available. There is increasing evidence that RT doses used in the past are higher than necessary for disease control in this era of combined modality therapy. The use of INRT and of lower doses in early-stage HL is supported by available data. Although the use of ISRT has not yet been validated in a formal study, it is more conservative than INRT, accounting for suboptimal information and appropriately designed for safe local disease control. The goal of modern smaller field radiation therapy is to reduce both treatment volume and treatment dose while maintaining efficacy and minimizing acute and late sequelae. This review is a consensus of the International Lymphoma Radiation Oncology Group (ILROG) Steering Committee regarding the modern approach to RT in the treatment of HL, outlining a new concept of ISRT in which reduced treatment volumes are planned for the effective control of involved sites of HL. Nodal and extranodal non-Hodgkin lymphomas (NHL) are covered separately by ILROG guidelines.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

SU-E-T-125: Dosimetric Comparison of Intensity Modulated Radiation Therapy Using Robotic Versus Traditional Linac Platform in Prostate Cancer

Purpose: Recent development of an MLC for robotic external beam radiotherapy has the potential of new clinical application in conventionally fractionated radiation therapy. This study offers a dosimetric comparison of IMRT plans using Cyberknife with MLC versus conventional linac plans. Methods: Ten prostate cancer patients treated on a traditional linac with IMRT to 7920cGy at 180cGy/fraction were randomly selected. GTVs were defined as prostate plus proximal seminal vesicles. PTVs were defined as GTV+8mm in all directions except 5mm posteriorly. Conventional IMRT planning was performed on Philips Pinnacle and delivered on a standard linac with CBCT and 10mm collimator leaf width. For each case a Cyberknife plan was created using Accuray Multiplan with same CT data set, contours, and dose constraints. All dosimetric data was transferred to third party software for independent computation of contour volumes and DVH. Delivery efficiency was evaluated using total MU, treatment time, number of beams, and number of segments. Results: Evaluation criteria including percent target coverage, homogeneity index, and conformity index were found to be comparable. All dose constraints from QUANTEC were found to be statistically similar except rectum V50Gy and bladder V65Gy. Average rectum V50Gy was lower for robotic IMRT (30.07%±6.57) versus traditional (34.73%±3.62, p=0.0130). Average bladder V65Gy was lower for robotic (17.87%±12.74) versus traditional (21.03%±11.93, p=0.0405). Linac plans utilized 9 coplanar beams, 48.9±3.8 segments, and 19381±2399MU. Robotic plans utilized 38.4±9.0 non-coplanar beams, 85.5±21.0 segments and 42554.71±16381.54 MU. The average treatment was 15.02±0.60 minutes for traditional versus 20.90±2.51 for robotic. Conclusion: The robotic IMRT plans were comparable to the traditional IMRT plans in meeting the target volume dose objectives. Critical structure dose constraints were largely comparable although statistically significant differences were found in favor of the robotic platform in terms of rectum V50Gy and bladder V65Gy at a cost of 25% longer treatment time.

60 APPLIED LIFE SCIENCES↗

Design of the radiation shielding for the time of flight enhanced diagnostics neutron spectrometer at Experimental Advanced Superconducting Tokamak

A radiation shielding has been designed to reduce scattered neutrons and background gamma-rays for the new double-ring Time Of Flight Enhanced Diagnostics (TOFED). The shielding was designed based on simulation with the Monte Carlo code MCNP5. Dedicated model of the EAST tokamak has been developed together with the emission neutron source profile and spectrum; the latter were simulated with the Nubeam and GENESIS codes. Significant reduction of background radiation at the detector can be achieved and this satisfies the requirement of TOFED. The intensities of the scattered and direct neutrons in the line of sight of the TOFED neutron spectrometer at EAST are studied for future data interpretation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A spectroscopic, structural, and computational study of Ag–oxo interactions in Ag + /UO 2 2+ complexes

For this work, twelve novel Ag + /UO 2 2+ heterometallic complexes have been prepared and characterized via structural, spectroscopic, and computational methods to probe the effects of Ag–oxo interactions on bonding and photophysical properties of the uranyl cation. Structural characterization reveals Ag–oxo interaction distances ranging from 2.475(3) Å to 4.287(4) Å. These interactions were probed using luminescence and Raman spectroscopy which displayed little effect on the luminescence intensity and the energy of the Raman active U═O symmetric stretch peak as compared to previously reported Pb–oxo interactions. Computational efforts via density functional theory-based natural bond orbital analysis revealed that the highest stabilization energy associated with the Ag–oxo interaction had a value of only 11.03 kcal mol –1 and that all other energy values fell at 7.05 kcal mol –1 or below indicating weaker interactions relative to those previously reported for Pb 2+ /UO 2 2+ heterometallic compounds. In contrast, quantum theory of atoms in molecules analysis of bond critical point electron density values indicated higher electron density in Ag–oxo interactions as compared to Pb–oxo interactions which suggests more covalent character with the Ag + . Overall, this data indicates that Ag + has a less significant effect on UO 2 2+ bonding and photophysical properties as compared to other Pb 2+ , likely due to the high polarizability of the cation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Patch-based generation of a pseudo CT from conventional MRI sequences for MRI-only radiotherapy of the brain

Purpose: In radiotherapy (RT) based on magnetic resonance imaging (MRI) as the only modality, the information on electron density must be derived from the MRI scan by creating a so-called pseudo computed tomography (pCT). This is a nontrivial task, since the voxel-intensities in an MRI scan are not uniquely related to electron density. To solve the task, voxel-based or atlas-based models have typically been used. The voxel-based models require a specialized dual ultrashort echo time MRI sequence for bone visualization and the atlas-based models require deformable registrations of conventional MRI scans. In this study, we investigate the potential of a patch-based method for creating a pCT based on conventional T{sub 1}-weighted MRI scans without using deformable registrations. We compare this method against two state-of-the-art methods within the voxel-based and atlas-based categories. Methods: The data consisted of CT and MRI scans of five cranial RT patients. To compare the performance of the different methods, a nested cross validation was done to find optimal model parameters for all the methods. Voxel-wise and geometric evaluations of the pCTs were done. Furthermore, a radiologic evaluation based on water equivalent path lengths was carried out, comparing the upper hemisphere of the head in the pCT and the real CT. Finally, the dosimetric accuracy was tested and compared for a photon treatment plan. Results: The pCTs produced with the patch-based method had the best voxel-wise, geometric, and radiologic agreement with the real CT, closely followed by the atlas-based method. In terms of the dosimetric accuracy, the patch-based method had average deviations of less than 0.5% in measures related to target coverage. Conclusions: We showed that a patch-based method could generate an accurate pCT based on conventional T{sub 1}-weighted MRI sequences and without deformable registrations. In our evaluations, the method performed better than existing voxel-based and atlas-based methods and showed a promising potential for RT of the brain based only on MRI.

60 APPLIED LIFE SCIENCES↗

Bayesian Abel Inversion in Quantitative X-Ray Radiography

A common image formation process in high-energy X-ray radiography is to have a pulsed power source that emits X-rays through a scene, a scintillator that absorbs X-rays and uoresces in the visible spectrum in response to the absorbed photons, and a CCD camera that images the visible light emitted from the scintillator. The intensity image is related to areal density, and, for an object that is radially symmetric about a central axis, the Abel transform then gives the object's volumetric density. Two of the primary drawbacks to classical variational methods for Abel inversion are their sensitivity to the type and scale of regularization chosen and the lack of natural methods for quantifying the uncertainties associated with the reconstructions. In this work we cast the Abel inversion problem within a statistical framework in order to compute volumetric object densities from X-ray radiographs and to quantify uncertainties in the reconstruction. A hierarchical Bayesian model is developed with a likelihood based on a Gaussian noise model and with priors placed on the unknown density pro le, the data precision matrix, and two scale parameters. This allows the data to drive the localization of features in the reconstruction and results in a joint posterior distribution for the unknown density pro le, the prior parameters, and the spatial structure of the precision matrix. Results of the density reconstructions and pointwise uncertainty estimates are presented for both synthetic signals and real data from a U.S. Department of Energy X-ray imaging facility.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Participation in the Apollo passive seismic experiment

Computer programs which were written to read digital tapes containing lunar seismic data were studied. Interpreting very early parts of the lunar seismogram as seismic body-wave phases enabled the determination of the structure of the outer part of the moon in the Fra Mauro region. The crust in the Fra Mauro region is 60 to 65 km-thick, overlaying a high velocity mantle. The crust is further divided into an upper part, 25 km thick, apparently made of material similar to the surficial basalts, and a lower part of seemingly different composition, possibly an anorthositic gabbro. The generation of the exceedingly long reverberating wave-train observed in lunar seismogram was also studied. This is believed to be due to an intense scattering layer with very high quality coefficient overlying a more homogeneous elastic medium. Titles and abstracts of related published papers are included.

Press, F.↗

Long-term variability in bright hard X-ray sources: 5+ years of BATSE data

The operation of the Compton Gamma Ray Observatory (CGRO)/burst and transient source experiment (BATSE) continues to provide data for inclusion into a data base for the analysis of long term variability in bright, hard X-ray sources. The all-sky capability of BATSE provides up to 30 flux measurements/day for each source. The long baseline and the various rising and setting occultation flux measurements allow searches for periodic and quasi-periodic signals with periods of between several hours to hundreds of days to be conducted. The preliminary results from an analysis of the hard X-ray variability in 24 of the brightest BATSE sources are presented. Power density spectra are computed for each source and profiles are presented of the hard X-ray orbital modulations in some X-ray binaries, together with amplitude modulations and variations in outburst durations and intensities in recurrent X-ray transients.

Robinson, C. R.↗

Review, evaluation, and discussion of the challenges of missing value imputation for mass spectrometry-based label-free global proteomics

In this review, we apply selected imputation strategies to label-free liquid chromatography–mass spectrometry (LC–MS) proteomics datasets to evaluate the accuracy with respect to metrics of variance and classification. We evaluate several commonly used imputation approaches for individual merits and discuss the caveats of each approach with respect to the example LC–MS proteomics data. In general, local similarity-based approaches, such as the regularized expectation maximization and least-squares adaptive algorithms, yield the best overall performances with respect to metrics of accuracy and robustness. However, no single algorithm consistently outperforms the remaining approaches, and in some cases, performing classification without imputation sometimes yielded the most accurate classification. Thus, because of the complex mechanisms of missing data in proteomics, which also vary from peptide to protein, no individual method is a single solution for imputation. In summary, on the basis of the observations in this review, the goal for imputation in the field of computational proteomics should be to develop new approaches that work generically for this data type and new strategies to guide users in the selection of the best imputation for their dataset and analysis objectives.

59 BASIC BIOLOGICAL SCIENCES↗

New method for analysis of X-ray computed tomography scans of TRISO fuel forms

X-ray computed tomography (XCT) is a powerful characterization tool that has been used for examination of both tristructural-isotropic (TRISO) coated particles and fuel forms. Rapid, nondestructive imaging of complete specimens by XCT provides significant characterization advantages in both speed and comprehensiveness over traditional materialographic methods. This paper discusses a method that has been developed to analyze XCT images of pebble fuel forms containing ~18,000 TRISO particles each. The XCT images are three-dimensional with contrast based on relative x-ray transparency. In the case of TRISO fuel forms, XCT image intensity distinguishes between the high-density kernel, the medium-density SiC, and the low-density matrix and carbon layers. Image analysis software has been developed to process XCT data sets to extract spatial distribution information, including particle nearest-neighbor distances, local packing fraction, and fuel-free zone thickness in TRISO fuel forms. Finally, although this type of high-resolution XCT analysis is likely not feasible as a quality control measurement for commercial TRISO fuel, it is highly useful in generating feedback for the development of fuel form fabrication processes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Submillimeter, millimeter, and microwave spectral line catalogue

This report describes a computer accessible catalogue of submillimeter, millimeter, and microwave spectral lines in the frequency range between 0 and 10000 GHz (i.e., wavelengths longer than 30 micrometers). The catalogue can be used as a planning guide or as an aid in the identification and analysis of observed spectral lines. The information listed for each spectral line includes the frequency and its estimated error, the intensity, lower state energy, and quantum number assignment. The catalogue has been constructed using theoretical least squares fits of published spectral lines to accepted molecular models. The associated predictions and their estimated errors are based upon the resultant fitted parameters and their covariances. Future versions of this catalogue will add more atoms and molecules and update the present listings (151 species) as new data appear. The catalogue is available from the authors as a magnetic tape recorded in card images and as a set of microfiche records.

Poynter, R. L.↗

Submillimeter, millimeter, and microwave spectral line catalog

This report describes a computer accessible catalogue of submillimeter, millimeter, and microwave spectral lines in the frequency range between 0 and 10000 GHz (i.e., wavelengths longer than 30 micrometers). The catalogue can be used as a planning guide or as an aid in the identification and analysis of observed spectral lines. The information listed for each spectral line includes the frequency and its estimated error, the intensity, lower state energy, and quantum number assignment. The catalogue has been constructed using theoretical least squares fits of published spectral lines to accepted molecular models. The associated predictions and their estimated errors are based upon the resultant fitted parameters and their covariances. Future versions of this catalogue will add more atoms and molecules and update the present listings (151 species) as new data appear. The catalogue is available from the authors as a magnetic tape recorded in card images and as a set of microfiche records.

Poynter, R. L.↗

Comparison of two computer codes for crack growth analysis: NASCRAC versus NASA/FLAGRO

The service life calculations of two computer codes, NASCRAC and NASA/FLAGRO, are compared. The analysis technique is based on linear elastic fracture mechanics (LEFM), in which stresses remain below the yield strength of an elastic/plastic material. To perform service life calculations, a relationship expressing incremental crack growth, DA/DN, as a function of loading, geometry, and material properties is necessary. Load and geometry are expressed in terms of the cyclic stress intensity factor, delta K. The crack growth rate as a function of delta K is then determined by material tests, plotting DA/DN versus delta K for the given material, loading condition, and environment. Crack growth rate equations such as the Paris, Walker, and modified Forman equations are used to obtain a best fit curve to the laboratory DA/DN versus delta K data.

Stallworth, Roderick↗

Applying an improved rapid impact assessment matrix method to strategic environmental assessment of urban planning in China

Strategic environmental assessment (SEA) has become an increasingly important decision-support tool for providing information on the environmental implications of a policy, plan, or program. The goal is to safeguard the environment and promote sustainable development at the strategic level. Despite major progress in implementing SEA practices internationally, developing countries, such as China, often lag behind in applying SEA methodology. Lack of available data and time constraints arising from tight schedules create problems. The rapid impact assessment matrix (RIAM) is a potential resource for breaking through such difficulties. Our analysis of RIAM applications suggested that it could become a tool for evaluating strategic alternatives because of its applicability in interdisciplinary settings, its transparency, and its short implementation timeframe. To make it more suitable for the SEA context, we have developed two major improvements to the conventional RIAM process: assignment of weights to assessment indicators and the development of an integrated environmental assessment score (IES). The improved RIAM process was employed in an SEA of the development plan for the Nansha District in Guangzhou, the capital city of Guangdong Province in China. It was used to assess five alternatives for development in Wanqingsha (WQS), a subunit of Nansha, where important ecological resources are located and where industrial development could impact the air quality in the neighboring Hong Kong Special Administrative Region (HKSAR). The evaluation identified WQS-A04 as the preferred alternative. This alternative involved a minimal amount of industrial development – 10% compared with the most intense development alternative – and included important wetland preservation plans. The assessment results have been incorporated into the officially approved development plan for Nansha. The improved RIAM methodology is well adapted to the technical aims of SEA and decision-making structures in China. It offers the potential for delivering timely and quality results to decision-making processes. To achieve the desired efficiency, it is recommended that an SEA procedure take into account findings acquired from an improved RIAM application at an early stage, then, at a later stage, results from more comprehensive assessments conducted using more sophisticated methods should be added, if time and data are available. - Highlights: • RIAM is a potential SEA tool due to its multidisciplinary setting and rapid process. • Weighting index and computing IES are raised for improving RIAM when applied to SEAs. • The improved RIAM boosts SEA effectiveness by timely responding to decision-making. • The improved RIAM is more suitable to an SEA bothered by tight time or data shortage. • The improved RIAM adapts to the technical aims of SEA and decision features in China.

54 ENVIRONMENTAL SCIENCES↗

Defining the “Hostile Pelvis” for Intensity Modulated Radiation Therapy: The Impact of Anatomic Variations in Pelvic Dimensions on Dose Delivered to Target Volumes and Organs at Risk in Patients With High-Risk Prostate Cancer Treated With Whole Pelvic Radiation Therapy

Purpose: The aim of this study was to evaluate the impact of variations in pelvic dimensions on the dose delivered to the target volumes and the organs at risk (OARs) in patients with high-risk prostate cancer (PCa) to be treated with whole pelvic radiation therapy (WPRT) in an attempt to define the hostile pelvis in terms of intensity modulated radiation therapy (IMRT). Methods and Materials: In 45 men with high-risk PCa to be treated with WPRT, the target volumes and the OARs were delineated, the dose constraints for the OARs were defined, and treatment plans were generated according to the Radiation Therapy Oncology Group 0924 protocol. Six dimensions to reflect the depth, width, and height of the bony pelvis were measured, and 2 indexes were calculated from the planning computed tomographic scans. The minimum dose (D{sub min}), maximum dose (D{sub max}), and mean dose (D{sub mean}) for the target volumes and OARs and the partial volumes of each of these structures receiving a specified dose (V{sub D}) were calculated from the dose-volume histograms (DVHs). The data from the DVHs were correlated with the pelvic dimensions and indexes. Results: According to an overall hostility score (OHS) calculation, 25 patients were grouped as having a hospitable pelvis and 20 as having a hostile pelvis. Regarding the OHS grouping, the DVHs for the bladder, bowel bag, left femoral head, and right femoral head differed in favor of the hospitable pelvis group, and the DVHs for the rectum differed for a range of lower doses in favor of the hospitable pelvis group. Conclusions: Pelvimetry might be used as a guide to define the challenging anatomy or the hostile pelvis in terms of treatment planning for IMRT in patients with high-risk PCa to be treated with WPRT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Deep learning-driven super-resolution in Raman hyperspectral imaging: Efficient high-resolution reconstruction from low-resolution data

Deep learning (DL) has become an indispensable tool in hyperspectral data analysis, automatically extracting valuable features from complex, high-dimensional datasets. Super-resolution reconstruction, an essential aspect of hyperspectral data, involves enhancing spatial resolution, particularly relevant to low-resolution hyperspectral data. Yet, the pursuit of super-resolution in hyperspectral analysis is fraught with challenges, including acquiring ground truth high-resolution data for training, generalization, and scalability. The pressing issue of extended spectral acquisition times, notably for high-resolution scans, is a significant roadblock in hyperspectral imaging. Super-resolution methods offer a promising solution by providing higher spatial resolution data to expedite data collection and yield more efficient outcomes. This paper delves into a practical application of these concepts using Raman imaging, where spectral acquisition times can be prohibitively long. In this context, DL-based super-resolution models demonstrate their efficacy by predicting and reconstructing high-resolution Raman data from low-resolution input, eliminating the need for resource-intensive high-resolution scans. While previous work often relied on substantial high-resolution datasets, this study showcases the ability to achieve similar outcomes even with limited data, presenting a more practical and cost-effective approach. In conclusion, the results offer a glimpse into the transformative potential of this technology to streamline hyperspectral imaging applications by saving valuable time and resources through the successful generation of high-resolution data from low-resolution inputs.

42 ENGINEERING↗

L-TERRA [SWR-15-34]

Lidar (light detection and ranging) instruments are often used in wind energy studies in place of meteorological towers, as they can collect measurements at higher heights than met towers and are more easily moved to different parts of a site. While lidars can accurately measure mean wind speeds, they frequently measure different values of turbulence intensity (TI) than would be measured by a cup anemometer on a tower. Discrepancies in TI values are caused by several factors, including instrument noise and volume averaging. The inability of lidars to accurately measure turbulence is a significant barrier to replacing met towers with lidars in the future. There is currently no accepted standard process for quantifying and removing these errors in lidar TI measurements. The Software is an error reduction algorithm for lidar-measured turbulence. The algorithm is trained using co-located lidar and meteorological tower data. Lidar-measured parameters, such as wind speed, shear, and TI, will be used to predict the difference between the lidar- and tower-measured TI. The algorithm will be disseminated as a set of computer code that can be used by lidar users and manufacturers to correct lidar TI data in real time or in post-processing.

Newman, Jennifer↗