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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Automated Extraction of Flow Features

Computational Fluid Dynamics (CFD) simulations are routinely performed as part of the design process of most fluid handling devices. In order to efficiently and effectively use the results of a CFD simulation, visualization tools are often used. These tools are used in all stages of the CFD simulation including pre-processing, interim-processing, and post-processing, to interpret the results. Each of these stages requires visualization tools that allow one to examine the geometry of the device, as well as the partial or final results of the simulation. An engineer will typically generate a series of contour and vector plots to better understand the physics of how the fluid is interacting with the physical device. Of particular interest are detecting features such as shocks, recirculation zones, and vortices (which will highlight areas of stress and loss). As the demand for CFD analyses continues to increase the need for automated feature extraction capabilities has become vital. In the past, feature extraction and identification were interesting concepts, but not required in understanding the physics of a steady flow field. This is because the results of the more traditional tools like; iso-surface, cuts and streamlines, were more interactive and easily abstracted so they could be represented to the investigator. These tools worked and properly conveyed the collected information at the expense of a great deal of interaction. For unsteady flow-fields, the investigator does not have the luxury of spending time scanning only one "snapshot" of the simulation. Automated assistance is required in pointing out areas of potential interest contained within the flow. This must not require a heavy compute burden (the visualization should not significantly slow down the solution procedure for (co-processing environments). Methods must be developed to abstract the feature of interest and display it in a manner that physically makes sense.

Dorney, Suzanne↗
DOE OSTI2024

Turbulent drifts of impurity ions as an explanation for anomalous radial transport in the far-SOL of DIII-D

Abstract Successful fusion reactor operation relies on minimal core contamination by impurities, otherwise too much power may be radiated and harm performance. This requires reliable predictions of impurity transport from the scrape-off layer (SOL) into the core, beyond the traditional ‘anomalous’ diffusion approach. We report a set of far-SOL tungsten transport simulations that demonstrate the role of turbulent drifts on radial impurity transport. A turbulent plasma background is simulated using the gyrokinetic SOL code Gkeyll. Tungsten ions are followed within the plasma background using only their drifts. We find that tungsten tends to travel radially outwards with velocities between v r = 300–1200 m s −1 primarily due to polarization drift. We also extract an anomalous radial diffusion coefficient that varies from D r anom = 5–20 m 2 s −1 . These results are compared to and agree with previous interpretive modeling results. We also show how the turbulent polarization drift can transport some tungsten ions from the wall inwards with effective pinch velocities up to 10 000 m s −1 . We conclude that turbulent drifts are a likely explanation for historically anomalous radial impurity transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2005

Automated Extraction of Flow Features

Computational Fluid Dynamics (CFD) simulations are routinely performed as part of the design process of most fluid handling devices. In order to efficiently and effectively use the results of a CFD simulation, visualization tools are often used. These tools are used in all stages of the CFD simulation including pre-processing, interim-processing, and post-processing, to interpret the results. Each of these stages requires visualization tools that allow one to examine the geometry of the device, as well as the partial or final results of the simulation. An engineer will typically generate a series of contour and vector plots to better understand the physics of how the fluid is interacting with the physical device. Of particular interest are detecting features such as shocks, re-circulation zones, and vortices (which will highlight areas of stress and loss). As the demand for CFD analyses continues to increase the need for automated feature extraction capabilities has become vital. In the past, feature extraction and identification were interesting concepts, but not required in understanding the physics of a steady flow field. This is because the results of the more traditional tools like; isc-surface, cuts and streamlines, were more interactive and easily abstracted so they could be represented to the investigator. These tools worked and properly conveyed the collected information at the expense of a great deal of interaction. For unsteady flow-fields, the investigator does not have the luxury of spending time scanning only one "snapshot" of the simulation. Automated assistance is required in pointing out areas of potential interest contained within the flow. This must not require a heavy compute burden (the visualization should not significantly slow down the solution procedure for co-processing environments). Methods must be developed to abstract the feature of interest and display it in a manner that physically makes sense.

Dorney, Suzanne↗
NASA NTRS2018

The Contrast in Outgassing of Germanium Between Shergottites and Nakhlites

Final Paper and not the abstract is attached. Introduction: Germanium is generally thought to follow Si in its geochemical behavior, but little data has existed to rigorously understand the behavior of Ge in the Martian mantle. Germanium is known to be more siderophile than Si, and its partitioning into the martian core has been studied by. Typical abundances in igneous martian meteorites range from 0.5-3 ppm, a larger range than what is observed in terrestrial basalts (1.5 +/- 0.1 ppm). In situ measurements by the MER and MSL rovers have revealed a surprisingly large range in Ge abundances in surface rocks (30-650 ppm), but many igneous rocks and soils are shown to have greater than 30 ppm Ge (the detection limit of the APXS). Recently, reported that shergottite minerals showed a depletion of Ge with increasing fractionation, while nakhlites and chassignites exhibited Ge behavior compatible with closed system igneous differentiation. They interpreted their observations as tentatively indicating volcanic outgassing of Ge from shergottites (but not from nakhlite-chassignites) with recondensation of the Ge vapor into soils and breccias. Recent experimental studies show that Ge is significantly volatile from magmas. In this study, we followed up on those results by analyzing minerals in five nakhlites and five shergottites by laser ablation ICP-MS (LA-ICP-MS). See Attached

Yang, S.↗
DOE OSTI2024

Plant Metabolic Network 16: expansion of underrepresented plant groups and experimentally supported enzyme data

Abstract The Plant Metabolic Network (PMN) is a free online database of plant metabolism available at https://plantcyc.org. The latest release, PMN 16, provides metabolic databases representing >1200 metabolic pathways, 1.3 million enzymes, >8000 metabolites, >10 000 reactions and >15 000 citations for 155 plant and green algal genomes, as well as a pan-plant reference database called PlantCyc. This release contains 29 additional genomes compared with PMN 15, including species listed by the African Orphan Crop Consortium and nonflowering plant species. Furthermore, 52 new enzymes with experimentally supported function information have been included in this release. The single-species databases contain a combination of experimental information from the literature and computationally predicted information obtained through PMN’s database generation pipeline for a single species, while PlantCyc contains only experimental information but for any species within Viridiplantae. PMN is a comprehensive resource for querying, visualizing, analyzing and interpreting omics data with metabolic knowledge. It also serves as a useful and interactive tool for teaching plant metabolism.

Hawkins, Charles (ORCID:0000000312849047)↗
NASA NTRS1993

Tectonic resurfacing of Venus

Impact crater distributions and morphologies have traditionally played an important role in unraveling the geologic histories of terrestrial objects, and Venus has proved no exception. The key observations are: mean crater retention age about 500 Ma; apparently random spatial distribution; modest proportion (17 percent) of modified craters; and preferential association of modified craters with areas of low crater density. The simplest interpretation of these data alone is that Venus experienced global resurfacing (assumed to be largely volcanic) prior to 500 Ma, after which time resurfacing rates decreased dramatically. This scenario does not totally exclude present geological activity: some resurfacing and crater obliteration is occurring on part of the planet, but at rates much smaller than on Earth. An alternative endmember model holds that resurfacing is also spatially randomly distributed. Resurfacing of about 1 sq km/yr eliminates craters such that a typical portion of the surface has an age of 500 Ma, but actual ages range from zero to about 1000 Ma. Monte Carlo simulation indicates that the typical resurfacing 'patch' cannot exceed about 500 km in diameter without producing a crater distribution more heterogeneous than observed. Volcanic or tectonic processes within these patches must be locally intense to be able to obliterate craters completely and leave few modified. In this abstract, we describe how global geologic mapping may be used to test resurfacing hypotheses. We present preliminary evidence that the dominant mode of resurfacing on Venus is tectonism, not volcanism, and that this process must be ongoing today. Lastly, we outline a conceptual model in which to understand the relationship between global tectonics and crater distribution and preservation.

Malin, Michael C.↗
NASA NTRS1996

Visualization of 3-D tensor fields

Second-order tensor fields have applications in many different areas of physics, such as general relativity and fluid mechanics. The wealth of multivariate information in tensor fields makes them more complex and abstract than scalar and vector fields. Visualization is a good technique for scientists to gain new insights from them. Visualizing a 3-D continuous tensor field is equivalent to simultaneously visualizing its three eigenvector fields. In the past, research has been conducted in the area of two-dimensional tensor fields. It was shown that degenerate points, defined as points where eigenvalues are equal to each other, are the basic singularities underlying the topology of tensor fields. Moreover, it was shown that eigenvectors never cross each other except at degenerate points. Since we live in a three-dimensional world, it is important for us to understand the underlying physics of this world. In this report, we describe a new method for locating degenerate points along with the conditions for classifying them in three-dimensional space. Finally, we discuss some topological features of three-dimensional tensor fields, and interpret topological patterns in terms of physical properties.

Hesselink, L.↗
NASA NTRS1994

(abstract) Line Mixing Behavior of Hydrogen-Broadened Ammonia Under Jovian Atmospheric Conditions

Laboratory spectral data reported last year have been used to investigate the line mixing behavior of hydrogen-broadened ammonia inversion lines. The data show that broadening parameters appearing in the modified Ben-Reuven opacity formalism of Berge and Gulkis (1976) cannot maintain constant values over pressure ranges that include low to moderate pressures and high pressures. Also, they cannot change drastically in value, as in the Spilker (1990) revision of the Berge and Gulkis formalism. It has long been recognized that at low pressures, less than about 1 bar of a Jovian atmospheric mixture, a VVW formalism yields more accurate predictions of ammonia opacity than Ben-Reuven formalisms. At higher pressures the Ben-Reuven formalisms are more accurate. Since the Ben-Reuven lineshape collapses to a VVW lineshape in the low pressure limit, this low pressure inaccuracy of the Ben-Reuven formalisms is surprising. By incorporating various behavior, a new formalism is produced that is more accurate than previous formalisms, particularly in the critical 'transition region' from 0.5 to 2 bars, and that can be used without discontinuity from pressures of zero to hundreds of bars. The new formalism will be useful in such applications as interpretation of radio astronomical and radio occultation data on giant planet atmospheres, and radiative transfer modeling of those atmospheres.

inversion lines formalisms radiative transfer mode↗
NASA NTRS1975

Remote Sensing of Earth Resources (1970-1973 Supplement): A Literature Survey with Indexes

This literature survey cites 4930 reports, articles and other documents that were announced between March 1970 and December 1973 in Scientific and Technical Aerospace Reports (STAR) or in International Aerospace Abstracts (IAA). This publication supplements Remote Sensing of Earth Resources (NASA-SP-7036) that cited documents announced between January 1962 and February 1970. Beginning in 1974, a quarterly publication, Earth Resources, A Continuing Bibliography (NASA-SP-7041) was initiated. The first issue, NASA-SP-7041(01), was published in June covering the document announced between January 1974 and March 1974. The coverage includes documents related to the identification and evaluation by means of sensors in spacecraft and aircraft of vegetation, minerals, and other natural resources, and the techniques and potentialities of surveying and keeping up-to-date inventories of such riches. It encompasses studies of such natural phenomena as earthquakes, volcanoes, ocean currents and magnetic fields; and such cultural phenomena as cities, transportation networks, and irrigation systems. Descriptions of the components and use of remote sensing and geophysical instrumentation, their subsystems, observational procedures, signature and analyses and interpretive techniques for gathering data are also included. Reports generated under NASA's Earth Resources Survey Program and announced during the period covered by this bibliography are included.

Source record↗
DOE OSTI2026

Quantum Choreography of the Nucleus: Rotations, Vibrations, and Emergent Structure

Abstract Nuclei are complex many-body quantum systems where interactions of the neutrons and protons via the strong, the weak, and the electromagnetic forces lead to the emergence of simple patterns of energy states that have been described by various theoretical approaches. One of the goals of all the theoretical models is the development of a universal theory that can be applied across the entire chart of nuclides. Significant progress has been made by experiments as well as the increasing sophistication of models, but a universal theory has yet to be established. A recent review of nuclei in the Z = 50–82 region of the chart of nuclides has analyzed all the available compiled data from several decades of studies towards a clarification of the low-lying structure of nuclei. Other reviews have reported and explained the emergence of multiple different shapes in nuclei at somewhat higher excitation energies than the ground state. Some have challenged the interpretation of the first excited K π = 0 + band as a vibration of ground state. This work attempts to provide a guide to determining the nature of the first excited K π = 0 + band in nuclei by the combined use of nuclear lifetimes, energy level evolutions, dynamic moments of inertia, and intrinsic quadrupole moments extracted from transition probabilities. The result is that for a subset of the nuclei in this region, the K π = 0 + band is consistent with the traditional 𝛽-vibration description of an oscillation built on the ground state.

CHFB+5DCH↗
NASA NTRS2005

A Prototype Flux-Plate Heat-Flow Sensor for Venus Surface Heat-Flow Determinations

Venus is the most Earth-like planet in the Solar System in terms of size, and the densities of the two planets are almost identical when selfcompression of the two planets is taken into account. Venus is the closest planet to Earth, and the simplest interpretation of their similar densities is that their bulk compositions are almost identical. Models of the thermal evolution of Venus predict interior temperatures very similar to those indicated for the regions of Earth subject to solid-state convection, but even global analyses of the coarse Pioneer Venus elevation data suggest Venus does not lose heat by the same primary heat loss mechanism as Earth, i.e., seafloor spreading. The comparative paucity of impact craters on Venus has been interpreted as evidence for relatively recent resurfacing of the planet associated with widespread volcanic and tectonic activity. The difference in the gross tectonic styles of Venus and Earth, and the origins of some of the enigmatic volcano-tectonic features on Venus, such as the coronae, appear to be intrinsically related to Venus heat loss mechanism(s). An important parameter in understanding Venus geological evolution, therefore, is its present surface heat flow. Before the complications of survival in the hostile Venus surface environment were tackled, a prototype fluxplate heat-flow sensor was built and tested for use under synthetic stable terrestrial surface conditions. The design parameters for this prototype were that it should operate on a conforming (sand) surface, with a small, self-contained power and recording system, capable of operating without servicing for at least several days. The precision and accuracy of the system should be < 5 mW/sq m. Additional information is included in the original extended abstract.

Morgan, Paul↗
NASA NTRSDate not supplied

Ceres Planetary Mission Concept Study: Exploration of Ceres' Habitability

Dwarf planet Ceres is a compelling target as an evolved ocean world with recent and potentially ongoing geological activity. As the most water-rich body in the inner solar system after Earth (in absolute abundance), it is a representative of the population of planetesimals that brought volatiles and organics to the inner solar system. And, situated in the Main Belt of Asteroids, it is accessible enough to return a sample from within the resources of a typical medium-class (New Frontiers) NASA mission. Habitability is addressed via a combination of geological, geophysical, and compositional investigations. Past and ongoing activity is addressed via high-resolution imaging and gravity measurements from orbit near landforms interpreted as volcanic structures based on the Dawn observations. The depth of deep brines would be probed via electromagnetic sounding. Sample return would enable a vast range of experimental techniques to be applied with sensitivities and accuracies beyond those feasible with in situ instruments and would benefit from future facilities developments. Sample return could be executed with a single flight system with solar electric propulsion. The baseline design of the sample return capsule is inherited from the OSIRIS-REx mission. This concept also relies on the availability of key technologies: an enhanced landing vision system leveraging investments for Mars 2020; retractable/redeployable solar arrays, which have been demonstrated on the International Space Station but not at Ceres’ gravity; and a new design for sample transfer from the pneumatic sampling system to the sample return capsule based off Honeybee Robotics’ design for the MMX mission. The authors acknowledge support from NASA’s Planetary Mission Concept Study program. The information in this abstract is pre-decisional and is provided for planning and discussion purposes only.

K. E. Miller↗
NASA NTRSDate not supplied

Models, In situ, and Remote sensing of Aerosols (MIRA)

The Models, In situ, and Remote sensing of Aerosols (MIRA) working group connects members of the different aerosol communities through collaborative projects. This abstract, additional details, and a list of current projects can be found at https://science.larc.nasa.gov/mira-wg/. Join our email distribution list of 200+ members at https://espo.nasa.gov/lists/listinfo/mira.In this talk, we will describe some current MIRA projects that are relevant to AeroCom (e.g., the Table of Aerosol Optics, or TAO) and the benefits of presenting your multi-disciplinary work at MIRA sessions and meetings. What is MIRA? MIRA is forum that fosters international collaborations amongst the aerosol Modeling, In situ, and Remote sensing specialties. MIRA advances scientific knowledge about aerosol properties and improves our understanding of air quality, weather, and climate through the pursuit of specific goals. MIRA emphasizes areas of study where the aerosol specialties overlap, and MIRA projects seek additional data and insight from others (observational and modeled). Why? The purpose of MIRA is to contextualize both observations and model results through the encouragement of holistic projects and collaborations. Linking aerosol disciplines removes gaps in understanding that hinder our interpretation of observations and model results. Such linkages improve our understanding of air quality, weather, and climate. How does MIRA differ from other working groups? MIRA focuses on interdisciplinarity to improve measurements and their utility, so MIRA complements the activities of other groups. Other interdisciplinary aerosol groups have different primary foci. For instance, AeroCom mainly focuses on improving global aerosol models, AeroSat focuses on strengthening collaboration amongst satellite aerosol retrieval groups, and ICAP focuses on aerosol forecasting. We hope that many MIRA projects engage these groups.

Gregory Schuster↗
NASA NTRS1992

Microbeam studies of the sensitivity of structures within living cells

Determining the biological effects of low doses of radiation with high linear energy transfer (LET) is complicated by the stochastic nature of charged-particle interactions. Populations of cells exposed to very low radiation doses contain a few cells which have been hit by a charged particle, while the majority of the cells receive no radiation damage. At somewhat higher doses, a few cells receive two or more events. Because the effects of damage produced by separate events can interact in the cell, we have had to make assumptions about the nature of these interactions in order to interpret the results of the experiments. Many of those assumptions can be tested if we can be sure of the number of charged-particle events which occur in individual cells, and correlate this number with the biological effect. We have developed a special irradiation facility at Pacific Northwest Laboratory (PNL) to control the actual number of charged particle tracks that pass through cell nuclei. The beam from a 2 MeV tandem accelerator is collimated to approximately 5 microns. Cells, grown in special dishes with 1.5 microns thick plastic bottoms, are positioned so that the desired portion of the cell aligns with the collimator. A shutter in the beam line is opened and closed after the desired number of particle tracks has been counted. This approach can be used to investigate the effects of the interaction between irradiated and unirradiated cells in an organized system, as well as to study the effects of spatial and temporal distribution of radiation damage within single cells.(ABSTRACT TRUNCATED AT 250 WORDS).

Non-NASA Center↗
DOE OSTI2024

Data‐driven variational method for discrepancy modeling: Dynamics with small‐strain nonlinear elasticity and viscoelasticity

Abstract The effective inclusion of a priori knowledge when embedding known data in physics‐based models of dynamical systems can ensure that the reconstructed model respects physical principles, while simultaneously improving the accuracy of the solution in the previously unseen regions of state space. This paper presents a physics‐constrained data‐driven discrepancy modeling method that variationally embeds known data in the modeling framework. The hierarchical structure of the method yields fine scale variational equations that facilitate the derivation of residuals which are comprised of the first‐principles theory and sensor‐based data from the dynamical system. The embedding of the sensor data via residual terms leads to discrepancy‐informed closure models that yield a method which is driven not only by boundary and initial conditions, but also by measurements that are taken at only a few observation points in the target system. Specifically, the data‐embedding term serves as residual‐based least‐squares loss function, thus retaining variational consistency. Another important relation arises from the interpretation of the stabilization tensor as a kernel function, thereby incorporating a priori knowledge of the problem and adding computational intelligence to the modeling framework. Numerical test cases show that when known data is taken into account, the data driven variational (DDV) method can correctly predict the system response in the presence of several types of discrepancies. Specifically, the damped solution and correct energy time histories are recovered by including known data in the undamped situation. Morlet wavelet analyses reveal that the surrogate problem with embedded data recovers the fundamental frequency band of the target system. The enhanced stability and accuracy of the DDV method is manifested via reconstructed displacement and velocity fields that yield time histories of strain and kinetic energies which match the target systems. The proposed DDV method also serves as a procedure for restoring eigenvalues and eigenvectors of a deficient dynamical system when known data is taken into account, as shown in the numerical test cases presented here.

Masud, Arif↗
DOE OSTI2025

Benders Decomposition Using Graph Modeling and Multi-Parametric Programming

Benders decomposition is a widely used method for solving large and structured optimization problems, but its performance is affected by the repeated solution of subproblems. We propose a flexible and modular algorithmic framework for accelerating Benders decomposition. Specifically, we express the problem structure by using a graph-theoretic modeling abstraction in which nodes represent optimization subproblems and edges represent connectivity between subproblems. A key innovation of our approach is that we embed multiparametric programming (mp) surrogates for node subproblems, which maps the exact analytical map of the subproblem solution space. The use of mp surrogates allows us to replace subproblem solves with fast look-ups and function evaluations for primal and dual variables during the iterative Benders process. We formally show the equivalence between classical Benders cuts and those derived from the mp solution. We implement our framework in the open-source PlasmoBenders.jl software package. To demonstrate the capabilities of the proposed framework, we apply it to a two-stage stochastic programming problem, which aims to make optimal capacity expansion decisions under market uncertainty. We evaluate both single-cut and multicut variants of Benders decomposition and show that the use of mp surrogates achieves substantial speedups in subproblem solve time, while preserving the convergence guarantees of Benders decomposition. We highlight advantages in solution analysis and interpretability that is enabled by mp critical region tracking; specifically, we show that these reveal how decisions evolve geometrically across the Benders search. Our results aim to demonstrate that combining surrogate modeling with graph modeling offers a promising and extensible foundation for structure-exploiting decomposition. In addition, by decomposing the problem into more tractable subproblems, the proposed approach also aims to overcome scalability issues of mp. Finally, the use of mp surrogates provides a unifying and modular optimization framework that enables the representation of heterogeneous node subproblems as modeling objects with a homogeneous structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Discovery and Spectroscopic Confirmation of Aquarius III: A Low-mass Milky Way Satellite Galaxy

Abstract We present the discovery of Aquarius III, an ultra-faint Milky Way satellite galaxy identified in the second data release of the DECam Local Volume Exploration survey. Based on deeper follow-up imaging with DECam, we find that Aquarius III is a low-luminosity ( M V = − 2.5 − 0.5 + 0.3 ; L V = 850 − 260 + 380 L ⊙ ), extended ( r 1 / 2 = 41 − 8 + 9 pc) stellar system located in the outer halo ( D ⊙ = 85 ± 4 kpc). From medium-resolution Keck/DEIMOS spectroscopy, we identify 11 member stars and measure a mean heliocentric radial velocity of v sys = − 13.1 − 0.9 + 1.0 km s − 1 for the system and place an upper limit of σ v < 3.5 km s −1 ( σ v < 1.6 km s −1 ) on its velocity dispersion at the 95% (68%) credible level. Based on calcium-triplet metallicities of the six brightest red giant members, we find that Aquarius III is very metal-poor ([Fe/H]= − 2.61 ± 0.21) with a statistically significant metallicity spread ( σ [ Fe / H ] = 0.46 − 0.14 + 0.26 dex). We interpret this metallicity spread as strong evidence that the system is a dwarf galaxy as opposed to a star cluster. Combining our velocity measurement with Gaia proper motions, we find that Aquarius III is currently situated near its orbital pericenter in the outer halo ( r peri = 78 ± 7 kpc) and that it is plausibly on first infall onto the Milky Way. This orbital history likely precludes significant tidal disruption from the Galactic disk, notably unlike other satellites with comparably low velocity dispersion limits in the literature. Thus, if further velocity measurements confirm that its velocity dispersion is truly below σ v ≲ 2 km s −1 , Aquarius III may serve as a useful laboratory for probing galaxy formation physics in low-mass halos.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Quantum Simulations of Radiation Damage in a Molecular Polyethylene Analog

Abstract An atomic‐level understanding of radiation‐induced damage in simple polymers like polyethylene is essential for determining how these chemical changes can alter the physical and mechanical properties of important technological materials such as plastics. Ensembles of quantum simulations of radiation damage in a polyethylene analog are performed using the Density Functional Tight Binding method to help bind its radiolysis and subsequent degradation as a function of radiation dose. Chemical degradation products are categorized with a graph theory approach, and occurrence rates of unsaturated carbon bond formation, crosslinking, cycle formation, chain scission reactions, and out‐gassing products are computed. Statistical correlations between product pairs show significant correlations between chain scission reactions, unsaturated carbon bond formation, and out‐gassing products, though these correlations decrease with increasing atom recoil energy. The results present relatively simple chemical descriptors as possible indications of network rearrangements in the middle range of excitation energies. Ultimately, the work provides a computational framework for determining the coupling between nonequilibrium chemistry in polymers and potential changes to macro‐scale properties that can aid in the interpretation of future radiation damage experiments on plastic materials.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗