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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Evaluating the Influence of Plants on Hydrologic Cycling: Quantifying and Validating the Role of Plant Processes and Stomatal Conductance (Final Report)

Plants can exert strong controls on water cycling, both locally and across the globe. The impacts are driven by how plants control the exchange of water and energy between the land and the atmosphere, which in turn are influenced by how plants photosynthesize and grow (e.g. biogeochemical cycling). Our team has shown previously that plant responses to increasing CO 2 in the atmosphere can influence the water cycle through changes in rainfall and the amount of water on land with implications for drought. Plant responses can also alter both average and extreme flow of water in rivers, with implications for freshwater availability and flood frequency. Although the impact of plant responses on water cycling has been demonstrated to exist, significant uncertainty remains in our understanding of the magnitude and form of the plant responses themselves, as well as their ultimate impact on water availability for people and ecosystems. In this project we worked to quantify the role of plant processes in regulating water cycling (e.g., precipitation, evapotranspiration, runoff, droughts, etc.). We addressed the following objectives: quantify the control of physiological vs. radiative effects on water cycling across many coupled models in idealized and realistic scenarios, as well as to quantify how our assumptions about leaf-level processes (e.g. coupling between stomatal conductance and photosynthesis), and organism-level processes (e.g. leaf area response to high CO 2 ) contributed to uncertainties and biases in water cycling. We focused on the impact of these processes on water cycling to assess the sensitivities of precipitation, evapotranspiration, and runoff to model assumptions about plant processes at the leaf, organism, and community level. As part of this project we used measurements of stable carbon isotopes to generate observationally based estimates of plant functioning during the historical period. This work is directly relevant to DOE’s primary scientific research questions in the RGMA topic area (b) on Biogeochemical processes, feedbacks, and interactions in the Earth system.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Can inflation be connected to low energy particle physics?

It is an interesting question whether low energy degrees of freedom may be responsible for early universe inflation. To examine this, here we present a simple version of Higgs-inflation with minimal coupling to gravity and a quadratic inflationary potential. This quantitatively differs from the popular non-minimally coupled models, although it is qualitatively similar. In all such models, new heavy fields must enter in order for the theory to be well behaved in the UV. We show that in all cases the Higgs self coupling λ must be quite small in order to integrate out the heavy fields and use the resulting low energy effective field theory of the Higgs to describe inflation. For moderately sized λ, the UV completion is required and will, in general, determine the inflationary regime. We discuss the important issue of the arbitrariness of the Lagrangians used in all these setups by presenting a new class of such models, including a supergravity version. This suggests that the inflationary potential is disconnected from low energy physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Changes in Annual Extremes of Daily Temperature and Precipitation in CMIP6 Models

This study presents an analysis of daily temperature and precipitation extremes with return periods ranging from 2 to 50 years in phase 6 of the Coupled Model Intercomparison Project (CMIP6) multimodel ensemble of simulations. Judged by similarity with reanalyses, the new-generation models simulate the present-day temperature and precipitation extremes reasonably well. In line with previous CMIP simulations, the new simulations continue to project a large-scale picture of more frequent and more intense hot temperature extremes and precipitation extremes and vanishing cold extremes under continued global warming. Changes in temperature extremes outpace changes in global annual mean surface air temperature (GSAT) over most landmasses, while changes in precipitation extremes follow changes in GSAT globally at roughly the Clausius–Clapeyron rate of ~7% °C –1 . Changes in temperature and precipitation extremes normalized with respect to GSAT do not depend strongly on the choice of forcing scenario or model climate sensitivity, and do not vary strongly over time, but with notable regional variations. Over the majority of land regions, the projected intensity increases and relative frequency increases tend to be larger for more extreme hot temperature and precipitation events than for weaker events. To obtain robust estimates of these changes at local scales, large initial-condition ensemble simulations are needed. Appropriate spatial pooling of data from neighboring grid cells within individual simulations can, to some extent, reduce the needed ensemble size.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Contributions to Polar Amplification in CMIP5 and CMIP6 Models

As a step towards understanding the fundamental drivers of polar climate change, we evaluate contributions to polar warming and its seasonal and hemispheric asymmetries in Coupled Model Intercomparison Project phase 6 (CMIP6) as compared with CMIP5. CMIP6 models broadly capture the observed pattern of surface- and winter-dominated Arctic warming that has outpaced both tropical and Antarctic warming in recent decades. For both CMIP5 and CMIP6, CO 2 quadrupling experiments reveal that the lapse-rate and surface albedo feedbacks contribute most to stronger warming in the Arctic than the tropics or Antarctic. The relative strength of the polar surface albedo feedback in comparison to the lapse-rate feedback is sensitive to the choice of radiative kernel, and the albedo feedback contributes most to intermodel spread in polar warming at both poles. By separately calculating moist and dry atmospheric heat transport, we show that increased poleward moisture transport is another important driver of Arctic amplification and the largest contributor to projected Antarctic warming. Seasonal ocean heat storage and winter-amplified temperature feedbacks contribute most to the winter peak in warming in the Arctic and a weaker winter peak in the Antarctic. In comparison with CMIP5, stronger polar warming in CMIP6 results from a larger surface albedo feedback at both poles, combined with less-negative cloud feedbacks in the Arctic and increased poleward moisture transport in the Antarctic. However, normalizing by the global-mean surface warming yields a similar degree of Arctic amplification and only slightly increased Antarctic amplification in CMIP6 compared to CMIP5.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Cosmological constraints on induced gravity dark energy models

We study induced gravity dark energy models coupled with a simple monomial potential ∝ σ{sup n} and a positive exponent n . These simple potentials lead to viable dark energy models with a weak dependence on the exponent, which characterizes the accelerated expansion in the asymptotic attractor, when ordinary matter becomes negligible. We use recent cosmological data to constrain the coupling γ to the Ricci curvature, under the assumptions that the scalar field starts at rest deep in the radiation era and that the gravitational constant in the Einstein equations is compatible with the one measured in a Cavendish-like experiment. By using Planck 2015 data only, we obtain the 95 % CL bound γ < 0.0017 for n =4, which is further tightened to γ < 0.00075 by adding Baryonic Acoustic Oscillations (BAO) data. This latter bound improves by ∼ 30 % the limit obtained with the Planck 2013 data and the same compilation of BAO data. We discuss the dependence of the γ and Ġ{sub N}/G{sub N} (z = 0) on n.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Midlatitude atmospheric responses to Arctic sensible heat flux anomalies in Community Climate Model, Version 4: Atmospheric Response to Arctic SHFs

Possible linkages between Arctic sea ice loss and midlatitude weather are strongly debated in the literature. We analyze a coupled model simulation to assess the possibility of Arctic ice variability forcing a midlatitude response, ensuring consistency between atmosphere, ocean, and ice components. We work with weekly running mean daily sensible heat fluxes with the self-organizing map technique to identify Arctic sensible heat flux anomaly patterns and the associated atmospheric response, without the need of metrics to define the Arctic forcing or measure the midlatitude response. We find that low-level warm anomalies during autumn can build planetary wave patterns that propagate downstream into the midlatitudes, creating robust surface cold anomalies in the eastern United States.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Prioritizing the selection of CMIP6 model ensemble members for downscaling projections of CONUS temperature and precipitation

Given the mismatch between the large volume of data archived for the sixth phase of the Coupled Model Intercomparison Project (CMIP6) and limited personnel and computational resources for downscaling, only a small fraction of the CMIP6 archive can be downscaled. In this work, we develop an approach to robustly sample projected hydroclimate states in CMIP6 for downscaling to test whether the selection of a single initial condition (IC) ensemble member from each CMIP6 model is sufficient to span the range of modeled hydroclimate over the conterminous United States (CONUS) and CONUS sub-regions. We calculate the pattern-centered root mean square difference of IC ensemble member anomalies relative to each model’s historical climatology for shared socioeconomic pathway (SSP) projections over 30-year time periods and compare the ratio of inter-model to intra-model variability for this metric. Regardless of SSP, inter-model variability is generally much greater than intra-model variability at the scales of the CONUS as a whole, as well as for most CONUS sub-regions. However, for some variables and scenarios, inter- and intra-model variability are similar at sub-CONUS scales, indicating that selecting a single IC ensemble member per model may be sufficient to sample the range of projected hydroclimate states in the 21st Century across CONUS, but for specific regions and variables, more careful selection of ensemble members may be necessary. Regionally resolved Taylor diagrams identify where more IC ensemble member downscaling efforts should be focused if resources are available to do so. Our results suggest that, with parsimonious sampling, the requisite computational expense of downscaling temperature and precipitation fields over the CONUS for subsequent CMIP activities may increase only marginally despite the great increase in data volumes with each successive CMIP phase.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The need for carbon-emissions-driven climate projections in CMIP7

Abstract. Previous phases of the Coupled Model Intercomparison Project (CMIP) have primarily focused on simulations driven by atmospheric concentrations of greenhouse gases (GHGs), for both idealized model experiments and climate projections of different emissions scenarios. We argue that although this approach was practical to allow parallel development of Earth system model simulations and detailed socioeconomic futures, carbon cycle uncertainty as represented by diverse, process-resolving Earth system models (ESMs) is not manifested in the scenario outcomes, thus omitting a dominant source of uncertainty in meeting the Paris Agreement. Mitigation policy is defined in terms of human activity (including emissions), with strategies varying in their timing of net-zero emissions, the balance of mitigation effort between short-lived and long-lived climate forcers, their reliance on land use strategy, and the extent and timing of carbon removals. To explore the response to these drivers, ESMs need to explicitly represent complete cycles of major GHGs, including natural processes and anthropogenic influences. Carbon removal and sequestration strategies, which rely on proposed human management of natural systems, are currently calculated in integrated assessment models (IAMs) during scenario development with only the net carbon emissions passed to the ESM. However, proper accounting of the coupled system impacts of and feedback on such interventions requires explicit process representation in ESMs to build self-consistent physical representations of their potential effectiveness and risks under climate change. We propose that CMIP7 efforts prioritize simulations driven by CO2 emissions from fossil fuel use and projected deployment of carbon dioxide removal technologies, as well as land use and management, using the process resolution allowed by state-of-the-art ESMs to resolve carbon–climate feedbacks. Post-CMIP7 ambitions should aim to incorporate modeling of non-CO2 GHGs (in particular, sources and sinks of methane and nitrous oxide) and process-based representation of carbon removal options. These developments will allow three primary benefits: (1) resources to be allocated to policy-relevant climate projections and better real-time information related to the detectability and verification of emissions reductions and their relationship to expected near-term climate impacts, (2) scenario modeling of the range of possible future climate states including Earth system processes and feedbacks that are increasingly well-represented in ESMs, and (3) optimal utilization of the strengths of ESMs in the wider context of climate modeling infrastructure (which includes simple climate models, machine learning approaches and kilometer-scale climate models).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Projecting 21st century snowpack trends in western USA mountains using variable-resolution CESM

Climate change will affect western USA water supplies by shifting precipitation from snow to rain and driving snowmelt earlier in the season. Yet, changes at the regional-to-mountain scale is still a major topic of interest. This study addresses the impacts of climate change on mountain snowpack by assessing historical and projected variable-resolution (VR) climate simulations in the community earth system model (VR-CESM) forced by prescribed sea-surface temperatures along with widely used regional downscaling techniques, the coupled model intercomparison projects phase 5 bias corrected and statistically downscaled (CMIP5-BCSD) and the North American regional climate change assessment program (NARCCAP). The multi-model RCP8.5 scenario analysis of winter season SWE for western USA mountains indicates by 2040-2065 mean SWE could decrease ⁻19% (NARCCAP) to ⁻38% (VR-CESM), with an ensemble median change of ⁻27%. Contrary to CMIP5-BCSD and NARCCAP, VR-CESM highlights a more pessimistic outcome for western USA mountain snowpack in latter-parts of the 21st century. This is related to temperature changes altering the snow-albedo feedback, snowpack storage, and precipitation phase, but may indicate that VR-CESM resolves more physically consistent elevational effects lacking in statistically downscaled datasets and teleconnections that are not captured in limited area models. Overall, VR-CESM projects by 2075–2100 that average western USA mountain snowfall decreases by ⁻30%, snow cover by ⁻44%, SWE by ⁻69%, and average surface temperature increase of +5.0 °C. This places pressure on western USA states to preemptively invest in climate adaptation measures such as alternative water storage, water use efficiency, and reassess reservoir storage operations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A parallel discrete dislocation dynamics/kinetic Monte Carlo method to study non-conservative plastic processes

Non-conservative processes play a fundamental role in plasticity and are behind important macroscopic phenomena such as creep, dynamic strain aging, loop raft formation, etc. In the most general case, vacancy-induced dislocation climb is the operating unit mechanism. While dislocation/vacancy interactions have been modeled in the literature using a variety of methods, the approaches developed rely on continuum descriptions of both the vacancy population and its fluxes. However, there are numerous situations in physics where point defect populations display heterogeneous concentrations and/or non-smooth kinetics. Here, a kinetic Monte Carlo (kMC) approach for modeling vacancy transport in response to arbitrary stress fields is used. Vacancies are treated as point particles and are coupled to the dislocation substructure representing a deformed material via an advection term defined by the local stress gradients. The stress fields and the dislocation substructure are evolved using a discrete dislocation dynamics (DDD) module. To extend the coupled model to the treatment of large systems, we have implemented it in the massively-parallel DDD code ParaDiS. To avoid numerical incompatibilities associated with merging deterministic (DDD) and stochastic (kMC) integration algorithms, we cast the entire elasto-plastic-diffusive problem within a single stochastic framework, taking advantage of a parallel kMC algorithm to evolve the system as a single event-driven process. The large-scale implementation enables the study of the evolution of a variety of dislocation-defect scenarios governed by non-conservative transport kinetics. After carrying out an exhaustive numerical and computational analysis of our parallel algorithm, we show results that emphasize situations where inhomogeneous vacancy dynamics are of relevance, and compare discrete kinetics to continuum solutions for several cases.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Defect cluster and nonequilibrium gas bubble associated growth in irradiated UMo fuels – a cluster dynamics and phase field model

Irradiation examination shows that gas bubble swelling kinetics is much faster after irradiation-induced recrystallization than that prior recrystallization in UMo fuels. It implies that gas bubbles in coarse grains and small recrystallized grains have different growth behavior. In this work, a phase-field model of gas bubble evolution integrating microstructure dependent cluster dynamics has been developed, for the first time, to study the gas bubble swelling behavior in the recrystallization zone of UMo fuels. Generation, diffusion, reaction, sink, emission and clustering of vacancies and interstitials are described by the cluster dynamics model while a phase-field model is used to describe the evolution of non-equilibrium gas bubbles including nucleation and growth. With the coupled model, the effect of defect generation rate, clustering rate, interstitial emission and sink rates on grain boundaries on the gas bubble evolution are systematically simulated. A set of model parameters (defect generation rate, clustering rate, interstitial emission and sink rates) is determined by comparing measured and simulated gas bubble swelling kinetics. The results demonstrate that interstitial clustering is one of the important physical mechanisms which results in a fast gas bubble swelling kinetics in the recrystallization zone. The developed model can also be extended to study the associated growth of defect and second phase precipitates often observed in irradiated materials.

Hu, Shenyang↗
DOE OSTI2024

Large Divergence of Projected High Latitude Vegetation Composition and Productivity Due To Functional Trait Uncertainty

Abstract Vegetation distribution and composition are expected to change in northern high latitudes under rapid warming, which regulates ecosystem functions but remains challenging to predict. Vegetation change arises from the interplay of chronic climate trends such as warming and transient demographic processes of recruitment, growth, competition, and mortality. Most predictive models overlooked the role of demographic dynamics controlled by plant traits. Here, we simulate vegetation dynamics at the Kougarok Hillslope site in Alaska under historical and future climates using the E3SM Land Model coupled to the Functionally Assembled Terrestrial Simulator (ELM‐FATES). To evaluate the roles of plant traits, we parameterize the model with 5,265 trait configurations representing diverse physiological and demographic strategies. Results show current modeled biomass, composition, and productivity are most sensitive to traits controlling photosynthetic capacity, carbon allocation, allometry, and phenology. Among all trait configurations, ∼5% reproduce in situ biomass and plant functional type (PFT) composition measured in 2016, that are indistinguishable from these two observed ecosystem states. Notably, these same trait configurations produce diverging biomass, composition, and productivity under future climate, where the uncertainty attributable to traits is twice the change attributable to climate change. The variation of projected productivity arises from emerging PFT composition under novel climate regimes, primarily explained by traits controlling cold‐induced mortality, recruitment, and allometry. Our findings highlight the importance and uncertainty of demographic dynamics and its interaction with climate change in shaping Arctic vegetation change. Improved model predictions will likely benefit from explicit consideration of vegetation demography and better constraints of critical traits.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Uncertainty Quantification of Extratropical Forest Biomass in CMIP5 Models over the Northern Hemisphere

Abstract Simplified representations of processes influencing forest biomass in Earth system models (ESMs) contribute to large uncertainty in projections. We evaluate forest biomass from eight ESMs outputs archived in the Coupled Model Intercomparison Project Phase 5 (CMIP5) using the biomass data synthesized from radar remote sensing and ground-based observations across northern extratropical latitudes. ESMs exhibit large biases in the forest distribution, forest fraction, and mass of carbon pools that contribute to uncertainty in forest total biomass (biases range from −20 Pg C to 135 Pg C). Forest total biomass is primarily positively correlated with precipitation variations, with surface temperature becoming equally important at higher latitudes, in both simulations and observations. Relatively small differences in forest biomass between the pre-industrial period and the contemporary period indicate uncertainties in forest biomass were introduced in the pre-industrial model equilibration (spin-up), suggesting parametric or structural model differences are a larger source of uncertainty than differences in transient responses. Our findings emphasize the importance of improved (1) models of carbon allocation to biomass compartments, (2) distribution of vegetation types in models, and (3) reproduction of pre-industrial vegetation conditions, in order to reduce the uncertainty in forest biomass simulated by ESMs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Improved Modeling of Canted–Cosine–Theta Magnets

The Canted–Cosine–Theta is a design option for the next generation of high field superconducting dipoles being pursued within the US Magnet Development Program. This paper presents new modeling techniques developed for design and analysis of CCT magnets. For mechanical modeling in ANSYS, three approaches with increasing accuracy are compared: 2-D symmetry models; 3-D periodic symmetry models; and full 3-D models. Methods for the static and transient magnetic simulation using ANSYS are presented with a focus on circuit-coupled models for predicting magnet behavior following quench. Simulation results are compared to data from CCT magnet tests at Berkeley.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

The Benefits of Global High Resolution for Climate Simulation: Process Understanding and the Enabling of Stakeholder Decisions at the Regional Scale

Many think that the time scales of the Paris Climate Agreement indicate urgent action is required on climate policies over the next few decades, in order to avoid the worst risks posed by climate change. On these relatively short time scales the combined effect of climate variability and change are both key drivers of extreme events, with decadal time scales also important for infrastructure planning. Hence, in order to assess climate risk on such time scales, we require climate models to be able to represent key aspects of both internally driven climate variability and the response to changing forcings. In this paper we argue that we now have the modeling capability to address these requirements—specifically with global models having horizontal resolutions considerably enhanced from those typically used in previous Intergovernmental Panel on Climate Change (IPCC) and Coupled Model Intercomparison Project (CMIP) exercises. The improved representation of weather and climate processes in such models underpins our enhanced confidence in predictions and projections, as well as providing improved forcing to regional models, which are better able to represent local-scale extremes (such as convective precipitation). We choose the global water cycle as an illustrative example because it is governed by a chain of processes for which there is growing evidence of the benefits of higher resolution. At the same time it comprises key processes involved in many of the expected future climate extremes (e.g., flooding, drought, tropical and midlatitude storms).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Simulating the biogeochemical and biogeophysical impacts of transient land cover change and wood harvest in the Community Climate System Model (CCSM4) from 1850 to 2100

To assess the climate impacts of historical and projected land cover change and land use in the Community Climate System Model (CCSM4) we have developed new time series of transient Community Land Model (CLM4) Plant Functional Type (PFT) parameters and wood harvest parameters. The new parameters capture the dynamics of the Coupled Model Inter-comparison Project phase 5 (CMIP5) land cover change and wood harvest trajectories for the historical period from 1850 to 2005, and for the four Representative Concentration Pathways (RCP) periods from 2006 to 2100. Analysis of the biogeochemical impacts of land cover change in CCSM4 with the parameters found the model produced an historical cumulative land use flux of 148.4 PgC from 1850 to 2005, which was in good agreement with other global estimates of around 156 PgC for the same period. The biogeophysical impacts of only applying the transient land cover change parameters in CCSM4 were cooling of the near surface atmospheric over land by -0.1OC, through increased surface albedo and reduced shortwave radiation absorption. When combined with other transient climate forcings, the higher albedo from land cover change was overwhelmed at global scales by decreases in snow albedo from black carbon deposition and from high latitude warming. At regional scales however the land cover change forcing persisted resulting in reduced warming, with the biggest impacts in eastern North America. The future CCSM4 RCP simulations showed that the CLM4 transient PFT and wood harvest parameters could be used to represent a wide range of human land cover change and land use scenarios. Furthermore, these simulations ranged from the RCP 4.5 reforestation scenario that was able to draw down 82.6 PgC from the atmosphere, to the RCP 8.5 wide scale deforestation scenario that released 171.6 PgC to the atmosphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Systematic and objective evaluation of Earth system models: PCMDI Metrics Package (PMP) version 3

Systematic, routine, and comprehensive evaluation of Earth system models (ESMs) facilitates benchmarking improvement across model generations and identifying the strengths and weaknesses of different model configurations. By gauging the consistency between models and observations, this endeavor is becoming increasingly necessary to objectively synthesize the thousands of simulations contributed to the Coupled Model Intercomparison Project (CMIP) to date. The Program for Climate Model Diagnosis and Intercomparison (PCMDI) Metrics Package (PMP) is an open-source Python software package that provides quick-look objective comparisons of ESMs with one another and with observations. The comparisons include metrics of large- to global-scale climatologies, tropical inter-annual and intra-seasonal variability modes such as the El Niño–Southern Oscillation (ENSO) and Madden–Julian Oscillation (MJO), extratropical modes of variability, regional monsoons, cloud radiative feedbacks, and high-frequency characteristics of simulated precipitation, including its extremes. The PMP comparison results are produced using all model simulations contributed to CMIP6 and earlier CMIP phases. An important objective of the PMP is to document the performance of ESMs participating in the recent phases of CMIP, together with providing version-controlled information for all datasets, software packages, and analysis codes being used in the evaluation process. Among other purposes, this also enables modeling groups to assess performance changes during the ESM development cycle in the context of the error distribution of the multi-model ensemble. Quantitative model evaluation provided by the PMP can assist modelers in their development priorities. In this paper, we provide an overview of the PMP, including its latest capabilities, and discuss its future direction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A fully ro-vibrationally resolved corona model for the molecular hydrogen Fulcher-𝛼 system

A ro-vibrationally resolved corona model for the molecular hydrogen Fulcher-𝛼 transition based on the Yacora solver is introduced. The model couples 1365 ro-vibrational levels of the 𝑋 1 ⁢𝛴$^+_𝑔$, 𝑑 3⁢ 𝛱 𝑢 and 𝑎 3 ⁢𝛴$^+_𝑔$ states via electron impact excitation from the ground state into the 𝑑 3⁢ 𝛱 𝑢 state and subsequent spontaneous emission into the 𝑎 3 ⁢𝛴$+_𝑔$ state. For the process of electron impact excitation a set of 45260 fully ro-vibrationally resolved cross sections calculated with the molecular convergent close-coupling (MCCC) method in the adiabatic-nuclei formulation is applied. The MCCC cross sections are compared with results of a scaling method used in other works, demonstrating the need for dedicated ro-vibrationally resolved cross sections. By post-processing the model output, entire Fulcher spectra can be simulated. These spectra are benchmarked with measurements from an inductively coupled plasma discharge at a pressure between 1.1–10 Pa and a RF power of 700 W. The model results agree very well with the experiment both in relative shape and in absolute value. A non-ro-vibrationally resolved, purely electronically resolved collisional radiative model for molecular hydrogen (including further states and reaction channels) is applied to investigate the validity of the corona approximation for the benchmark plasmas and the relevance of possible process extensions of the corona model. Furthermore, the influence of collisional quenching, autoionization and predissociation is discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗