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At least 145 records · Page 8

Pareto Optimization of Oligomer Polarizability and Dipole Moment Using a Genetic Algorithm

High-performance electronic components are highly sought after in order to produce increasingly smaller and cheaper electronic devices. Drawing inspiration from inorganic dielectric materials, in which both polarizability and polarization contribute, organic materials can also maximize both. For a large set of small molecules drawn from PubChem, a Pareto-like front appears between the polarizability and dipole moment, indicating the presence of an apparent trade-off between these two properties. We tested this balance in π-conjugated materials by searching for novel conjugated hexamers with simultaneously large polar- izabilities and dipole moments with potential use for dielectric materials. Using a genetic algorithm (GA) screening technique in conjunction with an approximate density functional tight-binding method for property calculations, we were able to efficiently search chemical space for optimal hexamers. Given the scope of chemical space, using the GA technique saves considerable time and resources by speeding up molecular searches compared to a systematic search. Here, we also explored the underlying structure–function relationships, including sequence and monomer properties, that characterize large polarizability and dipole moment regimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Three rate-determining protein roles in photosynthetic O 2 -evolution addressed by time-resolved experiments on genetically modified photosystems

Light-driven water splitting by plants, algae and cyanobacteria is pivotal for global bioenergetics and biomass formation. A manganese cluster bound to the photosystem II proteins catalyzes the complex reaction at high rate, but the rate-determining factors are insufficiently understood. Here we trace the oxygen-evolution transition by time-resolved polarography and infrared spectroscopy for cyanobacterial photosystems genetically modified at two strategic sites, complemented by computational chemistry. Our results highlight three rate-determining roles of the protein environment of the metal cluster: acceleration of proton-coupled electron transfer, acceleration of substrate-water insertion after O 2 -formation, and balancing of rate-determining enthalpic and entropic contributions. Whereas in general the substrate-water insertion step may be unresolvable in time-resolved experiments, here it likely becomes traceable because of deceleration by genetic modification. Our results may stimulate new time-resolved experiments on substrate-water insertion in photosynthesis, clarification of enthalpy-entropy compensation in enzyme catalysis, and knowledge-guided development of inorganic catalyst materials.

Bioenergetics↗

Catalytic Bio-crude Production in a Novel, Short-Contact Time Reactor

RTI has developed a catalytic fast pyrolysis (CFP) process to produce biomass-based hydrocarbon replacement fuels. From a technology perspective, this advanced biofuels process produces liquid transportation fuels that can leverage capital expenditures in the existing petroleum distribution infrastructure. From a business perspective, this technology does not face potential market limitations caused by oxygenate blend limitations for light duty vehicle applications. A promising catalyst has been developed with excellent potential for deoxygenation to produce a hydrocarbon-rich biocrude that is more suitable for upgrading with traditional hydroprocessing technology. The role of the catalyst is to control the chemistry during biomass pyrolysis to produce a biocrude in a single step that has lower oxygen content and is more thermally stable than conventional biomass fast pyrolysis oil. Catalyst properties are optimized to minimize gas and coke production and improve catalytic deoxygenation and biocrude yields. Results from this project have demonstrated that biocrudes from catalytic fast pyrolysis contain <20 wt% oxygen, with the organic fraction as low as 12% oxygen. These oxygen numbers are > 50% lower compared to traditional fast pyrolysis oils. The biocrude produced from our CFP process can be upgraded to gasoline range hydrocarbons. A very conservative approach for upgrading included a preliminary stabilization step followed by a hydroprocessing step. The oxygen content in the upgraded product was decreased by 97% (to less than 3wt %) from the oxygen content of the biocrude sample. Additionally, the acid content was reduced by 99% from the acid content of the biocrude sample. In an optimized integrated process, the CFP step and the hydroprocessing (upgrading) step need to be carefully balanced to maximize the input biomass energy that is recovered in the finished biofuels. Hydrogen utilization and carbon recovery during both catalytic biomass pyrolysis and biocrude upgrading need to be optimized to maximize energy recovery in the finished biofuel. A nominal 1 ton per day (TPD) catalytic biomass pyrolysis system was designed based on the laboratory experimental data. The system was designed to achieve the short residence times (0.5–2 sec) and high heat transfer rates required for maximum liquid biocrude yields while optimizing process integration to maintain catalyst activity by continuous regeneration. The catalytic biomass pyrolysis reactor is a continuously circulating single-loop transport reactor design that is flexible enough to allow sensitivity studies around temperature, residence time, biomass feed rate, and catalyst-to-biomass ratio (i.e., catalyst circulation rate) for process optimization. For a nominal 100 lb/hr feed rate of dry biomass, the products include ~25 lb/hr char and coke, ~20 lb/hr permanent gases, and ~55 lb/hr condensable vapors. Pyrolysis temperatures are 350–600°C, and the system is operated close to ambient pressure. Production of the catalyst developed within the project was scaled up to provide enough material (200kg) for bench-scale testing. The 1TPD bench-scale unit was fabricated, installed and commissioned with this project. Biocrude samples from wood were produced in this unit with the CFP catalyst with material balance > 90%. The intermediate biocrude yields and chemical composition compare well with previous laboratory results and a hydroprocessing strategy for upgrading the resulting biocrude was developed. The experimental results obtained within this project were used to develop a process model for a 2000 TPD commercial facility. Detailed flow sheets were developed for all major unit operations in the process and provided a basis for an economic analysis to develop capital and operating costs. Estimates of the biofuel production costs were used to develop internal rates of return for the yields and compositions measured for the current state of technology at the end of this project and for the yields anticipated for an optimized (nth plant) scenario as additional process improvements are made.

09 BIOMASS FUELS↗

Winter wheat: A model for the simulation of growth and yield in winter wheat

The basic ideas and constructs for a general physical/physiological process level winter wheat simulation model are documented. It is a materials balance model which calculates daily increments of photosynthate production and respiratory losses in the crop canopy. The partitioning of the resulting dry matter to the active growing tissues in the plant each day, transpiration and the uptake of nitrogen from the soil profile are simulated. It incorporates the RHIZOS model which simulates, in two dimensions, the movement of water, roots, and soluble nutrients through the soil profile. It records the time of initiation of each of the plant organs. These phenological events are calculated from temperature functions with delays resulting from physiological stress. Stress is defined mathematically as an imbalance in the metabolite supply; demand ratio. Physiological stress is also the basis for the calculation of rates of tiller and floret abortion. Thus, tillering and head differentiation are modeled as the resulants of the two processes, morphogenesis and abortion, which may be occurring simulaneously.

Baker, D. N.↗

Investigation of Venus Surface Properties

Strong localized radar echoes have been observed at decimeter wavelengths from the highlands of Venus since the earliest radar maps were obtained over 30 years ago. These echoes are some five to ten times stronger than those from the presumably basaltic rocks seen at lower altitudes elsewhere on Venus. Observations of thermal emission from the visible disk of Venus at wavelengths corresponding to those used in the radar mapping confirm that the regions of high reflectivity also exhibit low emissivity, as expected from considerations of detailed thermodynamic balance. Two possibilities have been put forward to explain this unexpected aspect of the Venus highlands: 1) surface materials of high effective dielectric constant, probably associated with finite electrical conductivity, and 2) volume scattering associated with multiple scattering from a layer of very-low-loss material containing voids and extending down a few hundred wavelengths beneath the surface. Analogs to these two mechanisms are found elsewhere in the solar system, and each is capable of explaining the basic observations. as of the early 1990's. In 1993, however, it became possible to carry out a bistatic observation of the anomalous highland regions using the Magellan spacecraft, then in orbit about Venus. In this experiment the on-board telemetry transmitter was aimed at the planet's surface with its linear S-band polarization vector oriented at 45 deg to the spacecraft-Venus-Earth scattering plane. The pointing of the transmitting antenna was adjusted so that the spacecraft-to-illuminated-surface incidence angle equalled the Earth-to-Venus-surface incidence angle. In this way, the experiment emphasized the specular scattering component. A full Stokes-Vector analysis of the reflected signal as received on Earth was carried out as the illuminated region scanned across the highland regions of Venus. From the observed position angle of the echo, it was possible to calculate the Fresnel reflectivity of a number of regions on Venus, including the high-altitude Maxwell Montes, and to show unequivocally that the complex dielectric constant of that anomalous area was 100 +/- 50i, as compared to 4.0 (real) for the typical lowland area. Thus this experiment was able to rule out definitively an hypothesis of volume scattering as the explanation for the anomalous scattering in the Venus highlands.

Ford, Peter G.↗

Solar transition region response to variations in the heating rate

The response of a numerical model for the upper chromosphere, transition region, and corona to variations in the energy input has been examined. The numerical model solves the set of one-dimensional two-fluid hydrodynamic equations in a simple vertical magnetic flux tube. The atmosphere responds to both the increase and decrease in energy deposition by smoothly readjusting the temperature gradient and the amount of material in the region of peak radiating efficiency to radiate away energy being deposited. At no time during this readjustment is a departure from a thin laminar transition region structure seen. In addition, a time-dependent description of the nonequilibrium ionization of all of the ionization stages of oxygen has been included. This calculation is coupled with the self-consistent calculations of the dynamical variables. It is found that the nonequilibrium ionization balance calculations for both heating and cooling small loops in the quiet sun predict relative ionic abundances which differ substantially from those which would be predicted by an equilibrium calculation

Mariska, J. T.↗

Comparison of Traditional and Innovative Techniques to Solve Technical Challenges

Although NASA has an adequate food system for current missions, research is required to accommodate new requirements for future NASA exploration missions. The Inadequate Food System risk reflects the need to develop requirements and technologies that will enable NASA to provide the crew with a safe, nutritious and acceptable food system while effectively balancing appropriate resources such as mass, volume, and crew time in exploratory missions. As we go deeper into space or spend more time on the International Space Station (ISS), there will be requirements for packaged food to be stored for 3 5 years. New food packaging technologies are needed that have adequate oxygen and water barrier properties to maintain the foods' quality over this extended shelf life. NASA has been unsuccessful in identify packaging materials that meet the necessary requirements when using several traditional routes including literature reviews, workshops, and internal shelf life studies on foods packaged in various packaging materials. Small Business Innovative Research grants were used for accelerating food packaging materials research with limited success. In order to accelerate the process, a theoretical challenge was submitted to InnoCentive resulting in a partial award. A similar food packaging challenge was submitted to Yet2.com and several potential commercial packaging material suppliers were identified that, at least partially, met the requirements. Comparisons and results of these challenges will be discussed.

Perchonok, Michele↗

Implementing an Applied Science Program

The work implied in the NASA Applied Science Program requires a delicate balancing act for the those doing it. At the implementation level there are multiple tensions intrinsic to the program. For example each application of an existing product to a decision support process requires deep knowledge about the data and deep knowledge about the decision making process. It is highly probable no one person has this range of knowledge. Otherwise the decision making process would already be using the data. Therefore, a team is required. But building a team usually requires time, especially across agencies. Yet the program mandates efforts of relatively short duration. Further, those who know the data are scientists, which makes them essential to the program. But scientists are evaluated on their publication record. Anything which diverts a scientist from the research for his next publication is an anathema to him and potential death to their career. Trying to get another agency to use NASA data does not strike most scientists as material inherently suitable for publication. Also, NASA wishes to rapidly implement often substantial changes to another agency's process. For many reasons, such as budget and program constraints, speed is important. But the owner of a decision making process is tightly constrained, usually by law, regulation, organization and custom. Changes when made are slow, cautious, even hesitant, and always done according a process specific to the situation. To manage this work MSFC must balance these and other tensions. Some things we have relatively little control over, such as budget. These we try to handle by structural techniques. For example by insisting all of our people work on multiple projects simultaneously we inherently have diversification of funding for all of our people. In many cases we explicitly use some elements of tension to be productive. For example the need for the scientists to constantly publish is motivation to keep tasks short and to the immediate point. As another example, the DSS agency and it personnel are treated as integral to the effort at every step. Thus, their ways of doing things, their problems and their assets become part of the solution. MSFC also manages the Applied Science work' within a strategic framework.' First, the scientists are necessarily at the core of all of this work as well as all of the work within the larger' organization. We therefore strive to keep a roughly 50-50 balance between the work done on tasks funded directly by the research side of NASA's Science Mission Directorate and funding from the applied side. Done at both the organization level and the level of the individual, this keeps the scientist both happy and productive over the long term. We also try diligently to remove as much burden from the scientist as practical by employing people such as the authors and others to do tasks not requiring; scientific knowledge. We also have designed our effort to take full use of external partners. We actively seek and support, including fund, people from multiple organizations to join us as committed collaborators. In this we use today's money and today's problem to help us diversify and strengthen for tomorrow. MSFC also considers the Applied Science work holistically. Each element is viewed as a step in a larger process. At a management level we can chose to emphasize or encourage certain areas which service long term goals. Thus, if we think work in a particular area should be developed, we can start with the smaller, less costly elements and grow.

Rickman, Doug↗

Task 12 PV Sustainability - Life Cycle Inventories and Life Cycle Assessments of Photovoltaic Systems

Life Cycle Assessment (LCA) is a structured, comprehensive method of quantifying material- and energy-flows and their associated impacts in the life cycles of products (i.e., goods and services). One of the major goals of IEA PVPS Task 12 is to provide guidance on assuring consistency, balance, transparency and quality of LCA to enhance the credibility and reliability of the results. The current report presents the latest consensus life cycle inventories among the authors, PV LCA experts in North America, Europe, Asia and Australia. At this time consensus is limited to four technologies for which there are well-established and up-to-date life cycle inventory (LCI) data (mono- and multi-crystalline Si, CdTe, CIGS, as well as one emerging technology (perovskite silicon tandem). LCIs are necessary for LCA and the availability of such data is often the greatest barrier for conducting LCA. The Task 12 LCA experts have put great efforts in gathering and compiling the LCI data presented in this report. These include detailed inputs and outputs during manufacturing of cell, wafer, module, and balance-of-system (i.e., structural and electrical components) that were estimated from actual production and operation facilities. In addition, data are presented to enable analyses of various types of PV installations; these include operational data of rooftop and ground-mount PV systems and country-specific PV-mixes. The LCI datasets presented in this report are the latest that are available to the public describing the status in 2018 for crystalline Si (some manufacturing data from 2011 were not updated), 2015 and 2017-2018 for CdTe, 2010 for CIGS, 2010 for HCPV, and 2017 for perovskite silicon tandem technology.

14 SOLAR ENERGY↗

Laboratory Studies of Charging Properties of Dust Grains in Astrophysical/Planetary Environments

Dust grains in various astrophysical environments are generally charged electrostatically by photoelectric emissions with UV/X-ray radiation, as well as by electron/ion impact. Knowledge of physical and optical properties of individual dust grains is required for understanding of the physical and dynamical processes in space environments and the role of dust in formation of stellar and planetary systems. In this paper we focus on charging of individual micron/submicron dust grains by processes that include: (a) UV photoelectric emissions involving incident photon energies higher than the work function of the material and b) electron impact, where low energy electrons are scattered or stick to the dust grains, thereby charging the dust grains negatively, and at sufficiently high energies the incident electrons penetrate the grain leading to excitation and emission of electrons referred to as secondary electron emission (SEE). It is well accepted that the charging properties of individual micron/submicron size dust grains are expected to be substantially different from the bulk materials. However, no viable models for calculation of the charging properties of individual micron size dust grains are available at the present time. Therefore, the photoelectric yields, and secondary electron emission yields of micron-size dust grains have to be obtained by experimental methods. Currently, very limited experimental data are available for charging of individual micron-size dust grains. Our experimental results, obtained on individual, micron-size dust grains levitated in an electrodynamic balance facility (at NASA-MSFC), show that: (1) The measured photoelectric yields are substantially higher than the bulk values given in the literature and indicate a particle size dependence with larger particles having order-of-magnitude higher values than for submicron-size grains; (2) dust charging by low energy electron impact is a complex process. Also, our measurements indicate that the electron impact may lead to charging or discharging of dust grains depending upon the grain size, surface potential, electron energy, electron flux, grain composition, and configuration (e.g. Abbas et al, 2010). Laboratory measurements on charging of analogs of the interstellar dust as well as Apollo 11 dust grains conducted at the NASA-MSFC Dusty Plasma Lab. are presented here

Tankosic, D.↗

Investigation of finite element: ABC methods for electromagnetic field simulation

The mechanics of wave propagation in the presence of obstacles is of great interest in many branches of engineering and applied mathematics like electromagnetics, fluid dynamics, geophysics, seismology, etc. Such problems can be broadly classified into two categories: the bounded domain or the closed problem and the unbounded domain or the open problem. Analytical techniques have been derived for the simpler problems; however, the need to model complicated geometrical features, complex material coatings and fillings, and to adapt the model to changing design parameters have inevitably tilted the balance in favor of numerical techniques. The modeling of closed problems presents difficulties primarily in proper meshing of the interior region. However, problems in unbounded domains pose a unique challenge to computation, since the exterior region is inappropriate for direct implementation of numerical techniques. A large number of solutions have been proposed but only a few have stood the test of time and experiment. The goal of this thesis is to develop an efficient and reliable partial differential equation technique to model large three dimensional scattering problems in electromagnetics.

Chatterjee, A.↗

Radiation hard gallium oxide scintillators for high count rate radiation detection

Despite decades of materials research, the availability of appropriate crystalline radiation-hard scintillators with ultrafast decay times (~10ns) and high light yields (>2000 ph/MeV) are still limited. In this study, we demonstrate the potential of gallium oxide (β-Ga 2 O 3 ) based scintillators for high count rate applications. The low-cost rugged β-Ga 2 O 3 scintillators were grown using the optical float zone (FZ) technique. Several dopants and growth atmospheres were used to demonstrate the balance between ultrafast primary decay time and the light yield of the scintillators. Light yields as high as 6446 ± 716 ph/MeV were obtained with 18.3 ns decay time for 662 keV gamma rays. Decay times as fast as 12ns were obtained with a 3212 ± 357 ph/MeV light yield. An excellent 662 keV gamma energy resolution of 7% was obtained using the β-Ga 2 O 3 :Ce crystals. Even with these excellent scintillation properties, the gamma radiation hardness of β-Ga 2 O 3 crystals was better than the leading radiation-hard lead tungstate (PbWO 4 ) crystals. Twenty-six scintillators fabricated from the grown β-Ga 2 O 3 crystals were tested for radiation hardness with a 60 Co gamma irradiation rate of 14 krad/h with a total radiation dose of 2 Mrad. The scintillation properties of these crystals remained unaffected. To date, no other scintillator has demonstrated such high radiation resistance. Furthermore, these FZ-grown low-cost, non-hygroscopic, and high-density β-Ga 2 O 3 scintillators can replace the existing scintillators in many applications ranging from nuclear and high energy physics experiments to nuclear security.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Far-infrared observations of shocked CO in Orion

The J = 27-26 and J = 30-29 transitions of CO have been detected in the Orion molecular cloud. These detections, together with an improved measurement of the J = 21-20 transition, allow estimation of the temperature and density of the shocked material and the fractional abundance of CO. By solving the equations of detailed balance for J less than or equal to 50 and fitting the data to a two-component model consistent with earlier 2-micron and 12-micron H2 observations, it is shown that the hot (2000 K) component has a density of approximately 1.0 x 10 to the 6th/cu cm, while the cooler component lies in the range of 400-1000 K and is 2-5 times more dense. Approximately 25% of the carbon is in the form of CO. The spatial extent of the hot CO has also been examined by observing the J = 21-20 transition at a number of positions, and it is found to be distributed similarly to the H2 lines. In addition, a search for J = 21-20 and J = 22-21 CO emission from six other sources has resulted in 3-standard-deviation upper limits of a factor of 10 below the intensity of the Orion lines.

Storey, J. W. V.↗

Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo

Topological insulators are characterized by insulating bulk states and robust metallic surface states. Band inversion is a hallmark of topological insulators. At time-reversal invariant points in the Brillouin zone, spin–orbit coupling (SOC) induces a swapping of orbital character at the bulk band edges. Reliably detecting band inversion in solid-state systems with many-body methods would aid in identifying possible candidates for spintronics and quantum computing applications and improve our understanding of the physics behind topologically nontrivial systems. Density functional theory (DFT) methods are a well-established means of investigating these interesting materials due to their favorable balance of computational cost and accuracy but often struggle to accurately model the electron–electron correlations present in the many materials containing heavier elements. In this work, we develop a novel method to detect band inversion within continuum quantum Monte Carlo (QMC) methods that can accurately treat the electron correlation and spin–orbit coupling that are crucial to the physics of topological insulators. Our approach applies a momentum-space-resolved atomic population analysis throughout the first Brillouin zone utilizing the Löwdin method and the one-body reduced density matrix produced with diffusion Monte Carlo (DMC). We integrate this method into QMCPACK, an open source ab initio QMC package, so that these ground-state methods can be used to complement experimental studies and validate prior DFT work on predicting the band structures of correlated topological insulators. Here, we demonstrate this new technique on the topological insulator bismuth telluride, which displays band inversion between its Bi-p and Te-p states at the Γ-point. We show an increase in charge on the bismuth-p orbital and a decrease in charge on the tellurium-p orbital when comparing band structures with and without SOC. Additionally, we use our method to compare the degree of band inversion present in monolayer Bi 2 Te 3 , which has no interlayer van der Waals interactions, to that seen in the bilayer and bulk. The method presented here will enable future many-body studies of band inversion that can shed light on the delicate interplay between correlation and topology in correlated topological materials.

Band structure↗

Humate's Role in Terrestrial Greenhouse Gas and Water Reduction

Carbon dioxide (CO 2 ) is considered the sole culprit for global warming; however, nitrous oxide (N 2 O), a greenhouse gas (GHG) with approximately 300 times more global warming potential than CO 2 , accounts for 6% of the GHG emissions in the United States. Seventy five percent of N 2 O emissions come from synthetic nitrogen (N) fertilizer usage in the agriculture sector primarily due to excess fertilization. Numerous studies have shown that changes in soil management practices, specifically optimizing N fertilizer use and amending soil with organic and humate materials can reverse soil damage and improve a farmer's or land reclamation company's balance sheet. Soil restoration is internationally recognized as one of the lowest cost GHG abatement opportunities available. Profitability improves in two ways: (1) lower operating costs resulting from lower input costs (water and fertilizer); and (2) increased revenue by participation in emerging GHG offsets markets, and water quality trading markets.

54 ENVIRONMENTAL SCIENCES↗

White dwarfs and the interstellar medium

Radiation emanating from hot (T greater than 40,000 K) white dwarfs can create large volumes of ionized material containing substantial column densities of highly ionized species, in particular Si IV and C IV. The ions N V and O VI can also be produced by hot, hydrogen-rich white dwarfs. These ionization spheres may be detectable around the nearby dwarfs. The relatively high space motions of these stars coupled with long recombination times in the interstellar medium suggest that a white dwarf leaves a region of ionized material - a fossil Stroemgren trail - that marks its progress through the galaxy. White dwarfs create a patchy substrate of ionized gas in the galactic plane and lead to extended ionized regions out of the plane. The spatial frequency of hot white dwarfs indicates that they contribute a radiative energy comparable to that provided by nondegenerate stars and by supernovae and capable of affecting the ionization balance of the interstellar medium.

Dupree, A. K.↗

An applicational process for dynamic balancing of turbomachinery shafting

The NASA Lewis Research Center has developed and implemented a time-efficient methodology for dynamically balancing turbomachinery shafting. This methodology minimizes costly facility downtime by using a balancing arbor (mandrel) that simulates the turbomachinery (rig) shafting. The need for precision dynamic balancing of turbomachinery shafting and for a dynamic balancing methodology is discussed in detail. Additionally, the inherent problems (and their causes and effects) associated with unbalanced turbomachinery shafting as a function of increasing shaft rotational speeds are discussed. Included are the design criteria concerning rotor weight differentials for rotors made of different materials that have similar parameters and shafting. The balancing methodology for applications where rotor replaceability is a requirement is also covered. This report is intended for use as a reference when designing, fabricating, and troubleshooting turbomachinery shafting.

Verhoff, Vincent G.↗

Penetration below a convective zone

Two-dimensional numerical simulations are used to investigate how fully compressible nonlinear convection penetrates into a stably stratified zone beneath a stellar convection zone. Estimates are obtained of the extent of penetration as the relative stability S of the stable to the unstable zone is varied over a broad range. The model deals with a perfect gas possessing a constant dynamic viscosity. The dynamics is dominated by downward-directed plumes which can extend far into the stable material and which can lead to the excitation of a broad spectrum of internal gravity waves in the lower stable zone. The convection is highly time dependent, with the close coupling between the lateral swaying of the plumes and the internal gravity waves they generate serving to modulate the strength of the convection. The depth of penetration delta, determined by the position where the time-averaged kinetic flux has its first zero in the stable layer, is controlled by a balance between the kinetic energy carried into the stable layer by the plumes and the buoyancy braking they experience there. A passive scalar is introduced into the unstable layer to evaluate the transport of chemical species downward. Such a tracer is effectively mixed within a few convective overturning times down to a depth of delta within the stable layer. Analytical estimates based on simple scaling laws are used to interpret the variation of delta with S, showing that it first involves an interval of adiabatic penetration if the local Peclet number of the convection exceeds unity, followed by a further thermal adjustment layer, the depths of each interval scaling in turn as S(exp -1) and S(exp -1/4). These estimates are in accord with the penetration results from the simulations.

Hurlburt, Neal E.↗