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At least 883 records · Page 49

Glass Crystallization Constraints for WTP LAW Operations: Assessment of Isothermal Treatments on Crystal Formation

Much work has been done to expand the glass composition region available for operation of the Hanford Tank Waste Treatment and Immobilization Plant. This includes the development of updated glass property-composition models as well as constraints. This report supports this effort by suggesting constraints for avoiding excessive, and likely detrimental, crystallization during melter operation while processing advanced low-activity glasses. The constraints target Cassiterite and ZrO 2 -containing phases (ZCP, e.g., Baddeleyite and Zircon) that can form when melter temperatures drop below 1100 °C. These types of crystals were found to be potentially detrimental during processing as they are denser than low-activity waste glass melts; with densities of 6.95 g/cm 3 for Cassiterite and 5.68 g/cm 3 for Baddeleyite (the most prevalent ZCP). Compared to melt densities of approximately 2.65 g/cm 3 . Thus, they have the potential to form during melter idling and settle to the bottom of the melter or inside the melter. If the crystals are present in appreciable amounts, they can result in blockages of the pour-spout riser, which impacts glass pouring and melter operation. Additionally, SnO 2 and ZrO 2 are added to glass formulations to improve glass durability. Their precipitation from the melt may reduce overall glass durability. Using previously acquired results and results from testing during this effort, the following constraints (Table S.1) were determined and are recommended to reduce the risk of forming crystals of the types and concentrations that are likely detrimental to melter operation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Imaging the End-to-End Dynamics of the Global Solar Wind-Magnetosphere Interaction

Much of what we know about the solar wind’s interaction with the Earth’s magnetosphere has been gained from isolated in situ measurements by single or multiple spacecraft. Based on their observations, we know that reconnection, whether on the dayside magnetopause or deep within the Earth’s magnetotail, controls the flow of solar wind energy into and through the global system. We know that nightside activity provides the energized particles that power geomagnetic storms. But by their very nature these isolated in situ measurements cannot provide an instantaneous global view of the entire system or its cross-scale dynamics. As a result, we don’t know which mode of reconnection prevails on the dayside magnetopause or within the magnetotail as a function of solar wind and geomagnetic conditions. We don’t know which mode or modes of nightside activity supply the most energized particles to the ring current. Nor do we know the dominant loss mode for ring current decay: precipitation, magnetopause outflow, or charge exchange with neutrals. Nor do we know how processes deep within the magnetosphere provide feedback to those happening in the outer magnetosphere. The answers to these questions could have an impact far beyond magnetospheric physics, since magnetic reconnection, particle acceleration, and charge-exchange are fundamental plasma processes that operate at other planets and throughout the universe. Comprehensive end-to-end global imaging of the key micro, meso-, and macro-scale plasma structures that comprise the magnetosphere will provide the answers to these questions via observations with a spatial resolution that exceeds anything possible with in situ measurements. Each proposed interaction mechanism generates a diagnostic plasma structure or boundary signature. Global, end-to-end, imaging provides the pathway to understanding the system as a whole, its constituent parts, and its cross-scale processes on a continuous basis, as needed to quantify the flow of solar wind energy through the global magnetospheric system. The significance of each mechanism is the product of its amplitude and occurrence rate. This white paper describes how a comprehensively-instrumented single spacecraft in a high-latitude circular polar orbit can provide the essential observations needed to track and quantify the flow of solar wind energy through the magnetosphere, including the solar wind plasma and magnetic field input, the magnetopause location in soft X-rays, the auroral oval in far ultraviolet, the ring current in energetic neutrals, the plasmasphere in extreme ultraviolet, the exosphere in Lyman-, the microstructure of the nightside auroral oval in ground-based all sky cameras, and the magnetic perturbations of ionospheric current patterns seen by ground-based magnetometers.

D G Sibeck↗

Systematic Enterprise Risk Management by Integrating the RISMC Toolkit and Cost-Benefit Analysis (Final Report)

The goal of this research is to theorize and quantify the relationships between safety and the financial performance of nuclear power plants (NPPs). The Socio-Technical Risk Analysis (SoTeRiA) theoretical framework, which connects the social aspects (e.g., safety culture) and structural features (e.g., safety practices) of an organization with organizational safety and financial risks, is used to theorize the direct and indirect relationships between safety and the financial performance of NPPs. An Integrated Enterprise Risk Management (I-ERM) methodological framework is developed to operationalize SoTeRiA to quantify NPP safety and financial performance in a unified platform where their underlying physical degradation mechanisms, coupled with maintenance performance (considering human and organizational factors), are explicitly incorporated to depict the interconnections and dependencies between safety and financial performance. In this study, NPP safety refers to both occupational safety and system safety (estimated from Probabilistic Risk Assessment, PRA), and financial performance refers to the monetary values associated with NPP operation and maintenance (O&M) strategies. This report covers a case study demonstrating the feasibility of the I-ERM methodological framework. More detailed development of one of the I-ERM modules, i.e., Probabilistic Physics-of-Failure (PPoF) analysis, and its connection with other I-ERM modules is demonstrated in a second case study. The outcome of this research will help NPP decision-makers create cost-saving maintenance strategies while maintaining safety by providing cost- and risk-informed recommendations regarding maintenance work processes and operational strategies.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Space Resource Utilization: Technologies and Potential Synergism with Terrestrial Mining

Space Resources and Their Uses: The idea of using resources in space to support human exploration and settlement or for economic development and profit beyond the surface of Earth has been proposed and discussed for decades. Work on developing a method to extract oxygen from lunar regolith started even before humans set foot on the Moon for the first time. The use of space resources, commonly referred to as In Situ Resource Utilization (ISRU), involves the processes and operations to harness and utilize resources in space (both natural and discarded) to create products for subsequent use. Potential space resources include water, solar wind implanted volatiles (hydrogen, helium, carbon, nitrogen, etc.), vast quantities of metals and minerals in extraterrestrial soils, atmospheric constituents, unlimited solar energy, regions of permanent light and darkness, the vacuum and zero-gravity of space itself, trash and waste from human crew activities, and discarded hardware that has completed its primary purpose. ISRU covers a wide variety of concepts, technical disciplines, technologies, and processes. When considering all aspects of ISRU, there are 5 main areas that are relevant to human space exploration and the commercialization of space: 1. Resource Characterization and Mapping, 2. In Situ Consumables Production, 3. Civil Engineering and Construction, 4. In Situ Energy Production and Storage, and 5. In Situ Manufacturing.

Sanders, Gerald B.↗

Automatic Processing of Reactive Polymers

A series of process modeling computer codes were examined. The codes use finite element techniques to determine the time-dependent process parameters operative during nonisothermal reactive flows such as can occur in reaction injection molding or composites fabrication. The use of these analytical codes to perform experimental control functions is examined; since the models can determine the state of all variables everywhere in the system, they can be used in a manner similar to currently available experimental probes. A small but well instrumented reaction vessel in which fiber-reinforced plaques are cured using computer control and data acquisition was used. The finite element codes were also extended to treat this particular process.

Roylance, D.↗

Petrogenesis of basalts from the Archean Matachewan Dike Swarm Superior Province of Canada

The Matachewan Dike swarm of eastern Ontario comprises Archean age basalts that were emplaced in the greenstone, granite-greenstone, and metasedimentary terrains of the Superior Province of Canada. The basalts are Fe-rich tholeiites, characterized by the near ubiquitos presence of large, compositionally uniform, calcic plagioclase. Major and trace element whole-rock compositions, along with microprobe analyses of constituent phases, from a group of dikes from the eastern portion of the province, were evaluated to constrain petrological processes that operated during the formation and evolution of the magmas. Three compositional groupings, were identified within the dikes. One group has compositional characteristics similar to modern abyssal tholeiites and is termed morb-type. A second group, enriched in incompatible elements and light-REE enriched, is referred to as the enriched group. The third more populated group has intermediate characteristics and is termed the main group. The observation of both morb-type and enriched compositions within a single dike strongly argues for the contemporaneous existence of magmas derived through different processes. Mixing calculations suggest that two possibilities exist. The least evolved basalts lie on a mixing line between the morb-type and enriched group, suggesting mixing of magmas derived from heterogeneous mantle. Mixing of magmas derived from a depleted mantle with heterogeneous Archean crust can duplicate certain aspects of the Matachewan dike composition array.

Nelson, Dennis O.↗

Status of the Development of Flight Power Processing Units for the NASAs Evolutionary Xenon Thruster - Commercial (NEXT-C) Project

A pathfinder prototype unit and two flight power processing units (PPUs) are being developed by the Aerojet Rocketdyne Corporation in Redmond, Washington and ZIN Technologies in Cleveland, Ohio, in support of the NEXT-C Project. This project is being led by the NASA Glenn Research Center in Cleveland, Ohio, and will also yield two flight thrusters. This hardware is being considered to be provided as Government Furnished Equipment for the New Frontiers Program, and is applicable to a variety of planetary science missions and astrophysics science missions. The design of the NEXT-C PPU evolves from the hardware fabricated under the NEXT technology development project. The power processing unit operates from two sources: a wide input 80 to 160 V high-power bus and a nominal 28 V low-power bus. The unit includes six power supplies. Four power supplies (beam, accelerator, discharge, and neutralizer keeper) are needed for steady state operation, while two cathode heater power supplies (neutralizer and discharge) are utilized during thruster startup. The unit in total delivers up to 7 kW of regulated power to a single gridded-ion thruster. Significant modifications to the initial design include: high-power adaptive-delay control, upgrade of design to EEE-INST-002 compliance, telemetry accuracy improvements, incorporation of telemetry to detect plume-mode operation, and simplification of the design in select areas to improve manufacturability and commercialization potential. The project is presently in the prototype phase and preparing for qualification level environmental testing.

NASAaEuro(TM)s Evolutionary Xenon Thruster↗

Integrated Science Investigation of the Sun (ISIS): Design of the Energetic Particle Investigation

The Integrated Science Investigation of the Sun (ISIS) is a complete science investigation on the Solar Probe Plus (SPP) mission, which flies to within nine solar radii of the Sun's surface. ISIS comprises a two-instrument suite to measure energetic particles over a very broad energy range, as well as coordinated management, science operations, data processing, and scientific analysis. Together, ISIS observations allow us to explore the mechanisms of energetic particles dynamics, including their: (1) Origins-defining the seed populations and physical conditions necessary for energetic particle acceleration; (2) Acceleration-determining the roles of shocks, reconnection, waves, and turbulence in accelerating energetic particles; and (3) Transport-revealing how energetic particles propagate from the corona out into the heliosphere. The two ISIS Energetic Particle Instruments measure lower (EPI-Lo) and higher (EPI-Hi) energy particles. EPI-Lo measures ions and ion composition from approx. 20 keV/nucleon-15 MeV total energy and electrons from approx.25-1000 keV. EPI-Hi measures ions from approx. 1-200 MeV/nucleon and electrons from approx. 0.5-6 MeV. EPI-Lo comprises 80 tiny apertures with fields-of-view (FOVs) that sample over nearly a complete hemisphere, while EPI-Hi combines three telescopes that together provide five large-FOV apertures. ISIS observes continuously inside of 0.25 AU with a high data collection rate and burst data (EPI-Lo) coordinated with the rest of the SPP payload; outside of 0.25 AU, ISIS runs in low-rate science mode whenever feasible to capture as complete a record as possible of the solar energetic particle environment and provide calibration and continuity for measurements closer in to the Sun. The ISIS Science Operations Center plans and executes commanding, receives and analyzes all ISIS data, and coordinates science observations and analyses with the rest of the SPP science investigations. Together, ISIS' unique observations on SPP will enable the discovery, untangling, and understanding of the important physical processes that govern energetic particles in the innermost regions of our heliosphere, for the first time. This paper summarizes the ISIS investigation at the time of the SPP mission Preliminary Design Review in January 2014.

Coronal Mass Ejections↗

Large Format Si:As IBC Array Performance for NGST and Future IR Space Telescope Applications

A mid-IR (5-30micrometer) instrument aboard a cryogenic space telescope can have an enormous impact in resolving key questions in astronomy and cosmology. A space platform's greatly reduced thermal backgrounds (compared to airborne or ground-based platforms), allow for more sensitive observations of dusty young galaxies at high redshifts, star formation of solar-type stars in the local universe, and formation and evolution of planetary disks and systems. The previous generation's largest, in sensitive IR detectors at these wavelengths are 256x256 pixel Si:As Impurity Band Conduction (IBC) devices built by Raytheon Infrared Operations (RIO) for the Space Infrared Telescope Facility/Infrared Array Camera (SIRTF)/(IRAC) instrument. RIO has successfully enhanced these devices, increasing the pixel count by a factor of 16 while matching or exceeding SIRTF/IRAC device performance. NASA-ARC in collaboration with RIO has tested the first high performance large format (1024x 1024) Si:As IBC arrays for low background applications, such as for the middle instrument on Next Generation Space Telescope (NGST) and future IR Explorer missions. These hybrid devices consist of radiation hard SIRTF/IRAC-type Si:As IBC material mated to a readout multiplexer that has been specially processed for operation at low cryogenic temperatures (below 10K), yielding high device sensitivity over a wavelength range of 5-28 micrometers. We present laboratory testing results from these benchmark, devices. Continued development in this technology is essential for conducting large-area surveys of the local and early universe through observation and for complementing future missions such as NGST, Terrestrial Planet Finder (TPF), and Focal Plane Instruments and Requirement Science Team (FIRST).

Ennico, Kimberly↗

The European Southern Observatory-MIDAS table file system

The new and substantially upgraded version of the Table File System in MIDAS is presented as a scientific database system. MIDAS applications for performing database operations on tables are discussed, for instance, the exchange of the data to and from the TFS, the selection of objects, the uncertainty joins across tables, and the graphical representation of data. This upgraded version of the TFS is a full implementation of the binary table extension of the FITS format; in addition, it also supports arrays of strings. Different storage strategies for optimal access of very large data sets are implemented and are addressed in detail. As a simple relational database, the TFS may be used for the management of personal data files. This opens the way to intelligent pipeline processing of large amounts of data. One of the key features of the Table File System is to provide also an extensive set of tools for the analysis of the final results of a reduction process. Column operations using standard and special mathematical functions as well as statistical distributions can be carried out; commands for linear regression and model fitting using nonlinear least square methods and user-defined functions are available. Finally, statistical tests of hypothesis and multivariate methods can also operate on tables.

Peron, M.↗

Science Goal Driven Observing and Spacecraft Autonomy

Spacecraft autonomy will be an integral part of mission operations in the coming decade. While recent missions have made great strides in the ability to autonomously monitor and react to changing health and physical status of spacecraft, little progress has been made in responding quickly to science driven events. For observations of inherently variable targets and targets of opportunity, the ability to recognize early if an observation will meet the science goals of a program, and react accordingly, can have a major positive impact on the overall scientific returns of an observatory and on its operational costs. If the onboard software can reprioritize the schedule to focus on alternate targets, discard uninteresting observations prior to downloading, or download a subset of observations at a reduced resolution, the spacecraft's overall efficiency will be dramatically increased. The science goal monitoring (SGM) system is a proof-of-concept effort to address the above challenge. The SGM will have an interface to help capture higher level science goals from the scientists and translate them into a flexible observing strategy that SGM can execute and monitor. We are developing an interactive distributed system that will use on-board processing and storage combined with event-driven interfaces with ground-based processing and operations, to enable fast re-prioritization of observing schedules, and to minimize time spent on non-optimized observations.

Koratkar, Amuradha↗

Pathway for decarbonizing residential building operations in the US and China beyond the mid-century

With global carbon budget targets looming, residential buildings in top economies must become carbon neutral as soon as possible to reserve more emission space for emerging carbon-emitting economies. This study is the first to compare the operational decarbonization process of China’s and the United States (US) residential buildings from 2000 to 2060 by combining the end-use emission model with the decomposing structural decomposition (DSD) method and Monte Carlo simulation. The results show that from 2001 to 2020 China decarbonized 1544 mega-tons of carbon dioxide (MtCO 2 ) and the US decarbonized 1848 MtCO 2 . In the business-as-usual scenario, China will hit its emission peak in 2031 (±3) with 934 (±61) MtCO 2 , while the US will maintain a lock-in level of 736 (±133) MtCO 2 since the 2030s. In the decarbonization scenario, operational carbon neutrality for residential buildings in 2060 is promoted by an increase in clean power generation proportion, building-integrated power generation level, building electrification level, and a reduction in end-use energy intensity, which will contribute 34.4 %, 21.4 %, 14.3 %, and 29.9 % in China and 32.9 %, 33.1 %, 8.2 %, and 25.8 % in the US, respectively. Especially, building-integrated power generation in China only costs about 40 % of what it costs in the US. Besides, high-decarbonization strategies for residential building operations are proposed as references for governments to formulate targeted climate policies. Overall, this study offers data benchmarks for buildings’ carbon neutrality of top economies to further promote synergistic carbon neutrality with the buildings of emerging economies in the age of Post COP27.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

An End-to-End Architecture for Science Goal Driven Observing

New observatories will have greater on-board storage capacity and on-board processing capabilities. The new bottleneck will be download capacity. The cost of downlink time and limitations of bandwidth will end the era where all exposure data is downloaded and all data processing is performed on the ground. In addition, observing campaigns involving inherently variable targets will need scheduling flexibility to focus observing time and data download on exposures that are scientifically interesting. The ability to quickly recognize and react to such events by re-prioritizing the observing schedule will be an essential characteristic for maximizing scientific returns. It will also be a step towards increasing spacecraft autonomy, a major goal of NASA's strategic plan. The science goal monitoring (SGM) system is a proof-of-concept effort to address these challenges. We are developing an interactive distributed system that will use on-board processing and storage combined with event-driven interfaces with ground-based processing and operations, to enable fast re-prioritization of observing schedules, and to minimize time spent on non-optimized observations. SGM is initially aimed towards time-tagged observing modes used frequently in spectroscopic studies of varying targets. In particular, the SGM is collaborating with the proposed MIDEX-class mission Kronos team. The variable targets that Kronos seeks to study make an adaptive system such as SGM particularly valuable for achieving mission goals. However, the architecture and interfaces will also be designed for easy adaptability to other observing platforms, including ground-based systems and to work with different scheduling and pipeline processing systems. This talk will focus on our strategy for developing SGM and the technical challenges that we have encountered. We will discuss the SGM architecture as it applies to the Kronos mission and explain how it is scalable to other missions.

Jones, Jeremy↗

5G Enabled Energy Innovation: Advanced Wireless Networks for Science (Workshop Report)

Rapidly expanding, new telecommunications infrastructure based on 5G technologies will disrupt and transform how we design, build, operate, and optimize scientific infrastructure and the experiments and services enabled by that infrastructure, from continental-scale sensor networks to centralized scientific user facilities, from intelligent Internet of Things devices to supercomputers. Concurrently, 5G will introduce, or exacerbate, challenges related to protecting infrastructure and associated scientific data as well as to fully leveraging opportunities related to expanded infrastructure scale and complexity. The U.S. Department of Energy (DOE) Office of Science operates scientific infrastructure, supporting some of the nation’s most advanced intellectual discoveries, spanning the country and including 30 world-class user facilities from supercomputers to accelerators. Along with field experiments and remote observatories, every aspect of DOE’s scientific enterprise will be affected by 5G, which amounts to a complete renovation of the underpinnings of the nation’s information infrastructure. In this report we explore the scientific opportunities and new research challenges associated with 5G, ranging from scalability to heterogeneity to cybersecurity. The rapid commercial deployment of 5G opens the opportunity to rethink and reinvent DOE’s scientific infrastructure and experimentation, from intelligent sensor networks at unprecedented scales to a digital continuum of cyberinfrastructure spanning low-power sensors, high-performance computing embedded within and at the edge of the network, and DOE’s large-scale user instrument and computing facilities. New programming paradigms, workflow and data frameworks, and AI-based system design, operation, and autonomous adaptation and optimization will be necessary in order to exploit these new opportunities. Field deployments and centralized scientific instruments can also be revolutionized, moving (without traditional performance penalties) from wired to wireless connectivity for data and control systems, improving flexibility, and opening new sensing modalities, including the use of the 5G electromagnetic spectrum itself as an environmental probe. For DOE science, in contrast to commercial 5G applications and settings, devices will be deployed in extreme environments such as cryogenically cooled instrument control systems and in remote settings with harsh conditions, requiring the design of new materials for RF communication and edge processing to operate in these regimes. Concurrently, 5G infrastructure comprises both hardware and sophisticated software systems - currently closed and proprietary. The cybersecurity challenges to 5G-empowered reinvention mirror the complexity and variety of new 5G features, from virtualization to private network slices to ubiquitous access. Research is also needed in order to accelerate the development of secure and open 5G software infrastructure, reducing reliance on hardware and software produced outside the United States and providing the transparency and rigorous evaluation and testing afforded through open software. Twelve broad research thrusts are laid out in four chapters, with a companion fifth chapter (and three additional research thrusts) underscoring the needs and opportunities for an aggressive testbed program co-designed by networking experts and scientists involved in the 15 research thrusts. The urgency of undertaking this research is fueled by a global, accelerating deployment of new telecommunications infrastructure that is designed for entertainment and commercial applications - barely scratching the surface of what 5G can do to extend U.S. leadership in scientific discovery.

42 ENGINEERING↗

Low Activity Waste Tuning Feed Material Testing VSL-18R4350-1 (Final Report)

High level waste (HLW) from the Hanford tank farms will be retrieved and transferred to the Hanford Tank Waste Treatment and Immobilization Plant (WTP). The waste will be pretreated to separate the soluble chemical salts (mostly sodium nitrate/nitrite and sodium hydroxide) from the bulk of the radioactive materials. This decontaminated salt solution is the low activity waste (LAW) stream which constitutes most of the total waste volume. The remaining HLW contains most of the radioactive materials but a fraction of the volume. Each of these waste streams is directed to an independent processing facility where the waste is mixed with glass forming chemicals (mostly silica and borax or boric acid) and fed into the melters for stabilization by conversion into glass. The molten glass is poured into stainless steel containers to produce packages for disposal: local shallow burial for the LAW containers and a future geologic repository for the HLW containers. The LAW facility melters produce significant quantities of NOx-laden off-gas that require abatement in accordance with 10 CFR 830 and air emission requirements. The NOx emissions also pose a safety risk. The LAW facility commissioning sequence requires that the melters be operated and process control loops tuned prior to introducing waste or waste feed materials that produce NOx. Therefore, a temporary or permanent system architecture is needed that provides a feed supply to the melters for the purpose of melter testing and off-gas tuning that does not result in the production of significantly hazardous off-gas products.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

[LCA UP] LNG Ocean Shipping

This unit process includes operation of a liquefied natural gas (LNG) ocean tanker using steam, DFDE/TFDE, ME-GI or X-DF engines. The tanker is fueled by a combination of boil-off gas (BOG) produced via evaporation of LNG, fuel oil, and diesel.

Group - Transport Process; LCA; LCA Unit Process; ↗

Ionic Liquids for Direct Air Capture of CO 2 using Electric‐Field‐Mediated Moisture Gradient Process (Final Technical Report)

The final report provides executive summary, a list of publications, and information on training graduate students and postdoctoral researchers. We carried out computational and experimental research on understanding molecular-level mechanism of how CO 2 is absorbed in a solution containing ethylene glycol as the solvent and KOH as the salt in the presence of ionic liquids and under the influence of electric field. In doing so, we developed an automated high-throughput method which allowed us to measure the solubility of CO 2 in a large number of ionic liquids, considerably speeding up the CO 2 solubility measurement. We also demonstrated how varying the concentration of ionic liquids in ethylene glycol can result in a maximum in ionic conductivity. Reaction of CO 2 and subsequent release results in a 50% reduction when the process is operated at an ionic liquid-ethylene glycol concentration yielding maximum ionic conductivity amongst all the ionic liquid-ethylene glycol combinations studied as a part of this research. We utilized machine learning models to identify unique ionic liquid-solvent combinations with ionic conductivity much higher than that measured for ionic liquid-ethylene glycol combinations. We demonstrated that the rate of CO 2 reaction with KOH in ethylene glycol can be optimized with the type of ionic liquid and its concentration. Overall, the research led to publication of 10 peer-reviewed research articles and several presentations at national conferences. We are also in the process of developing additional manuscripts based on the research carried out as a part of this project. Two graduate students and two postdoctoral researchers were supported on the funding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fast molecular shocks. I - Reformation of molecules behind a dissociative shock

The physical and chemical processes that operate in the cooling gas behind a fast, dissociative, single-fluid shock propagating in a dense interstellar cloud are discussed. The treatment extends previous theoretical work on fast molecular shocks by including the effects of the conversion of Ly-alpha photons into radiation of the two-photon continuum and into H2 Lyman band emission lines, the effects of CO photodissociation following line absorption, and the formation and destruction of molecules containing the elements nitrogen, silicon, and sulphur, and of the complex hydrocarbons. Abundance profiles for the molecular species of interest are presented. After molecular hydrogen begins to reform, by means of gas phase and grain surface processes, the neutral species OH, H2O, O2, CO, CN, HCN, N2, NO, SO, and SiO reach substantial abundances. The molecular ions HeH(+), OH(+), SO(+), CH(+), H2(+), and H3(+), are produced while the gas is still hot and partially ionized. Emissions from them provide a possible diagnostic probe of fast molecular shocks.

Neufeld, David A.↗