Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “carbon dynamics”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Activity-based protein profiling of chitin catabolism

Microbial catabolism of chitin, a highly abundant component of polymeric organic matter worldwide, is a fundamental cog in the carbon and nitrogen cycles that govern CO2 emissions, nutrient dynamics in aquatic systems, and soil vitality. Despite this critical biogeochemical function, we have a poor understanding of the synergy between various microbial chitinases and key accessory enzymes involved in chitin catabolism. We designed and synthesized activity-based probes (ABPs) for profiling active chitinolytic enzymes by modifying the chitin derivatives N-acetyl glucosamine and chitotriose. The ABPs were used to determine the active complement of chitinolytic enzymes produced over time by the soil bacterium Cellvibrio japonicus treated with various C substrates. This approach allowed us to demonstrate the utility of these ABPs in determining the intricate synergy between chitinases and other glycoside hydrolases that microbes employ to catabolize chitin. The strategy can be used to gain molecular level insights that can be used to better understand microbial roles in soil C and N cycling in the face of a changing climate.

Zegeye, Elias↗
DOE OSTI2025

Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis

A complete understanding of enzyme mechanisms requires atomistic details of chemical reactions. Quantum-based molecular dynamics simulations (QMD) are a potential source of this information, but trade-offs between accuracy and computational cost have limited their use. We previously developed extended Lagrangian Born–Oppenheimer molecular dynamics (XL-BOMD) methods that leverage a negligible compromise in accuracy to substantially decrease the cost of QMD simulations. Here, we develop a reactive QMD approach using the latest XL-BOMD formulation, which enables efficient simulations of highly reactive systems, and use it to investigate mechanisms of intermediate formation in isocyanide hydratase (ICH) catalysis. In QMD simulations, molecular analogs of ICH active site residues reacted with para-nitrophenyl isocyanide, forming a thioimidate. Analysis of simulated atomic configurational and charge dynamics revealed a pathway where protonation of the isocyanide carbon occurs prior to thioimidate formation and suggested a possible role of Asp17 as a proton donor in the early phase of ICH catalysis. To test whether the pathway seen using the reactive QMD approach might be relevant to ICH catalysis, we performed X-ray crystallography and pre-steady-state enzyme kinetics studies of wild-type and D17N mutant ICH. Both the structure and kinetics are sensitive to the D17N mutation in a manner that is consistent with the order of the reaction steps seen in the simulations. Mobile protons play essential roles in many enzymes, yet they are difficult to observe experimentally, making the ordering of proton-dependent steps ambiguous in many enzyme mechanisms. The ability to directly simulate model reactions for the design of experiments that provide information about enzyme mechanisms involving mobile protons demonstrates the significance of our reactive QMD approach and motivates further biological applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Tree crown damage and its effects on forest carbon cycling in a tropical forest

Abstract Crown damage can account for over 23% of canopy biomass turnover in tropical forests and is a strong predictor of tree mortality; yet, it is not typically represented in vegetation models. We incorporate crown damage into the Functionally Assembled Terrestrial Ecosystem Simulator (FATES), to evaluate how lags between damage and tree recovery or death alter demographic rates and patterns of carbon turnover. We represent crown damage as a reduction in a tree's crown area and leaf and branch biomass, and allow associated variation in the ratio of aboveground to belowground plant tissue. We compare simulations with crown damage to simulations with equivalent instant increases in mortality and benchmark results against data from Barro Colorado Island (BCI), Panama. In FATES, crown damage causes decreases in growth rates that match observations from BCI. Crown damage leads to increases in carbon starvation mortality in FATES, but only in configurations with high root respiration and decreases in carbon storage following damage. Crown damage also alters competitive dynamics, as plant functional types that can recover from crown damage outcompete those that cannot. This is a first exploration of the trade‐off between the additional complexity of the novel crown damage module and improved predictive capabilities. At BCI, a tropical forest that does not experience high levels of disturbance, both the crown damage simulations and simulations with equivalent increases in mortality does a reasonable job of capturing observations. The crown damage module provides functionality for exploring dynamics in forests with more extreme disturbances such as cyclones and for capturing the synergistic effects of disturbances that overlap in space and time.

Needham, Jessica F.↗
NASA NTRS1993

Lasers '92; Proceedings of the International Conference on Lasers and Applications, 15th, Houston, TX, Dec. 7-10, 1992

Papers from the conference are presented, and the topics covered include the following: x-ray lasers, excimer lasers, chemical lasers, high power lasers, blue-green lasers, dye lasers, solid state lasers, semiconductor lasers, gas and discharge lasers, carbon dioxide lasers, ultrafast phenomena, nonlinear optics, quantum optics, dynamic gratings and wave mixing, laser radar, lasers in medicine, optical filters and laser communication, optical techniques and instruments, laser material interaction, and industrial and manufacturing applications.

Wang, Charles P.↗
NASA NTRS1998

Testing an Algae-Based Air-Regeneration System

The potential of an air-regeneration system based on the growth of unicellular algae on the surface of porous ceramic tubes was evaluated. The system is fairly robust with respect to environmental conditions and is capable of maintaining algal cultures for up to 365 days. Under standard conditions (50-66 micro mol/sq mm s (PPF), 450 micro mol mol of CO2), mature tubes can remove CO2 at a rate of up to 90 micro mol/sq m min. Under these conditions, approximately 200 square meters of area would be required for each member of the crew. However, the rate of uptake increases with both photon flux and CO2 concentration in accordance with Michaelis-Menton dynamics. An extrapolation to conditions of saturating light and carbon dioxide indicates that the area required can be reduced by a factor of at least 2.5.

Nienow, James↗
NASA NTRS1997

Steady-State and Frequency Response of a Thin-Film Heat Flux Gauge

A new and simpler design of thin-film heat flux gauge has been developed for use In high-heat-flux environments. Heat flux gauges of the same design were fabricated on three different substrates and tested. The heat flux gauge comprises a thermopile and a thermocouple junction, which measures the surface temperature. The thermopile has 40 pairs of S-type thermocouples and is covered by two thermal resistance layers. Calibration and testing of these gauges were first carried out in an arc-lamp calibration facility. Sensitivity of the gauge was discussed in terms of the relative conductivity and surface temperature. The heat flux calculated from the gauge output was In good agreement with the precalibrated standard sensor. The steady-state and the transient response characteristics of the heat flux gauge were also investigated using a carbon dioxide pulse laser as a heat source. The dynamic frequency response was evaluated in terms of the nondimensional amplitude ratio with respect to the frequency spectrum of a chopped laser bcam. The frequency response of the gauge was determined to be about 3 kHz. The temperature profiles in the thin-film heat flux gauge were obtained numerically in steady-state conditions using FLUENT and compared with the experimental results.

Fralick, Gustave C.↗
NASA NTRS2019

Progress Towards Modeling the Mars Science Laboratory PICA-NuSil Heatshield

The data collected by the Mars Science Laboratory (MSL) Entry, Descent and Landing Instrumentation, MEDLI, have become an established reference to assess the performance of engineering models of the Phenolic Impregnated Carbon Ablator (PICA) and to validate hypersonic computational fluid dynamics (CFD) tools for entry systems. MEDLI measurements are also extensively used as validation reference for current developments of high-fidelity material response models for PICA. So large has been the scientific output and impact of MEDLI that a follow-up instrumentation suite MEDLI2 is underway for the upcoming Mars 2020 mission.A feature neglected thus far in the modeling of the MSL heatshield, is the presence of a silicone-based room temperature vulcanizing coating designated NuSil CV-1144-0. NuSil was used to coat the entire MSL heatshield, including the MEDLI plugs, to mitigate the spread of phenolic dust from PICA, and limit contamination during clean room operations. NuSil CV-1144-0 is a space grade siloxane copolymer, designed as an oxygen protection barrier for extreme low temperature environment.Assessments conducted during MSL development demonstrated that the presence of NuSil had no adverse effect on the performance of PICA. However, evidence from ground testing of PICA-NuSil (PICA-N) models in the HyMETS arc-jet test facility suggests that the silicone changes the high temperature response of PICA. It is therefore critical to assess the importance of modeling the coating in ongoing code validation efforts.

Bessire, Brody K.↗
DOE OSTI2022

Electrochemical, thermodynamic, and physical properties of tetradecyltrihexylphosphonium ([P 6,6, 6,14 ] + ) and methyl-propyl piperidinium containing ionic liquids and their propylene carbonate solutions

Here, the viscosity, conductivity, electrochemical window and related thermodynamic properties such as excess volume and dynamic viscosity deviation of two phosphonium ionic liquids were measured and calculated for “as-supplied” and dried neat liquids and also v/v mixtures of 99/1, 95/5, 90/10, 75/25, and 50/50 of the ionic liquids with propylene carbonate (PC). Tetradecyltrihexylphosphonium dicyanamide ([P 6,6,6,14 ] + dicyanamide), Cyphos 105, and tetradecyltrihexylphosphonium bis(trifluororomethanesulfonyl)imide (called bistriflimide) ([P 6,6,6,14 ] + bistriflimide), Cyphos 109, ionic liquids were studied. Generally speaking, there were slight differences in the measured properties of the wet and dried IL solutions which were reflected in differences if the calculated properties. The measured and calculated properties were compared with those collected and derived from a piperidinium-based ionic liquid, methyl-propyl piperidinium bistriflimide. Arrhenius plots for both the viscosity and conductivity were linear, with the linearity of the Litovitz plots being slightly higher. The viscosity and conductivity of the phosphonium solutions yielded Walden Plots that differed from Walden plots of piperidinium solutions and other ionic liquid solutions. For the phosphonium based ionic liquids, the ionicity was found to increase with increasing dilution in propylene carbonate. The electrochemical windows of the ionic liquids were determined as a function of the concentration of the ionic liquid present in the solution. The size of the window generally initially decreased and then increased with the addition of PC for the [P 6,6,6,14 ] + dicyanamide ionic liquid increasing from 3.4 V in the 95/5 v/v (volume Cyphos 105) to volume of PC solvent) to 3.7 in the 50/50 dried IL case. The electrochemical windows of the dried liquids were slightly larger 3.5 V for the 95/5 v/v and 4.2 V for the 50/50 v/v Cyphos 105/PC solutions. The electrochemical window was larger and the conductivity was higher for the piperidinium IL solutions, but since the ionicity increases with dilution, the phosphonium based IL solutions may prove favorable for processes such as electrochemical reduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Multifold Insights for Power System Dynamics From Data Assimilation: Meeting Current Challenges

The world’s electric power grids have evolved over the last 120 years from a single power line to today’s large networks. The evolution will continue at an accelerated rate with extensive smart grid development worldwide. Here for example, the U.S. government has set a goal of reaching 100 percent carbon pollution-free electricity by 2035, while the Department of Energy (DOE) shared a goal to deploy 30 GW and 110 GW of offshore wind by 2030 and 2050, respectively. To meet such ambitious goals, in the years to come, a significant percentage of electricity will come from intermittent renewable sources, electric vehicles (EVs), and be supplied to a vast number of loads that will actively respond to grid conditions and incentive signals. This development is largely driven by environmental and economic factors, such as reducing carbon emissions and saving electricity cost for consumers. These energy resources lead to new uncertain behaviors and dynamics which the grid has never seen and were not considered in its design. Operating such a dynamic grid with sufficient reliability and efficiency is a monumental challenge.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Characterizing Natural Organic Matter Transformations by Microbial Communities in Terrestrial Subsurface Ecosystems: A Critical Review of Analytical Techniques and Challenges

Determining the mechanisms, traits, and pathways that regulate microbial transformation of natural organic matter (NOM) is critical to informing our understanding of the microbial impacts on the global carbon cycle. The capillary fringe of subsurface soils is a highly dynamic environment that remains poorly understood. Characterization of organo-mineral chemistry combined with a nuanced understanding of microbial community composition and function is necessary to understand microbial impacts on NOM speciation in the capillary fringe. We present a critical review of the popular analytical and omics techniques used for characterizing complex carbon transformation by microbial communities and focus on how complementary information obtained from the different techniques enable us to connect chemical signatures with microbial genes and pathways. This holistic approach offers a way forward for the comprehensive characterization of the formation, transformation, and mineralization of terrestrial NOM as influenced by microbial communities.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2013

Hydroclimatic Controls on the Means and Variability of Vegetation Phenology and Carbon Uptake

Long-term, global offline (land-only) simulations with a dynamic vegetation phenology model are used to examine the control of hydroclimate over vegetation-related quantities. First, with a control simulation, the model is shown to capture successfully (though with some bias) key observed relationships between hydroclimate and the spatial and temporal variations of phenological expression. In subsequent simulations, the model shows that: (i) the global spatial variation of seasonal phenological maxima is controlled mostly by hydroclimate, irrespective of distributions in vegetation type, (ii) the occurrence of high interannual moisture-related phenological variability in grassland areas is determined by hydroclimate rather than by the specific properties of grassland, and (iii) hydroclimatic means and variability have a corresponding impact on the spatial and temporal distributions of gross primary productivity (GPP).

GPP↗
DOE OSTI2022

Characterizing particle-like charge-migration dynamics with high-order harmonic sideband spectroscopy

Here, we introduce high-order harmonic sideband spectroscopy and show that it can be a robust probe of charge migration (CM) in a halogenated carbon-chain molecule. We simulate both the CM and high-order harmonic generation (HHG) dynamics using ab initio time-dependent density-functional theory. We find that CM dynamics initiated along the molecular backbone induces sidebands in the HHG spectrum driven by a delayed laser pulse that is polarized perpendicular to the molecular axis. Monitoring the spectrum as either the HHG laser frequency or the relative delay is scanned allows for the extraction of detailed information about the time-domain characteristics of the CM process.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRSDate not supplied

Interannual to Decadal Variability in Subarctic Atlantic Ocean Primary Productivity Historical Variability, Dynamics, and Response to Warming

Phytoplankton primary productivity in the Subarctic Atlantic Ocean sustains valuable fisheries and exports anthropogenic atmospheric carbon dioxide, but multiple Earth system models show that this productivity declines substantially in 21st century global warming scenarios. Prior studies have investigated the spatial and temporal dynamics of the seasonal cycle of the phytoplankton, which exhibit a prominent but spatially variable spring bloom that is caused by the closely related seasonal cycles in solar radiation and vertical mixing that modulate both phytoplankton growth and loss rates. However, recent work indicates that multi-decade declines in this spring bloom with global warming in multiple Earth system models are driven by reductions in circulation of nutrients from the subtropical and tropical thermocline, rather than local changes in vertical mixing or shortwave radiation in the Subarctic. It is unclear if current models of how phytoplankton productivity varies seasonally or over a century in global warming can be interpolated to explain the interannual to decadal variability. In this poster, I will quantify the interannual to decadal variability of phytoplankton chlorophyll using historical satellite ocean color observations and model simulations with the Community Earth System Model. I will then use the observations and model simulations to elucidate the mechanisms of interannual to decadal variability and how that variability is restructured in 21st century global warming scenarios.

nterannual↗
NASA NTRS2023

A Multi-Satellite Framework to Rapidly Evaluate Extreme Biosphere Cascades: The Western US 2021 Drought and Heatwave

The increasing frequency and intensity of climate extremes and complex ecosystem responses motivate the need for integrated observational studies at low-latency to determine biosphere responses and carbon-climate feedbacks. Here, we develop a satellite-based rapid attribution workflow and demonstrate its use at a 1–2-month latency to attribute drivers of the carbon cycle feedbacks during the 2020-2021 Western US drought and heatwave. In the first half of 2021, concurrent negative photosynthesis anomalies and large positive column CO 2 anomalies were detected with satellites. Using a simple atmospheric mass balance approach, we estimate a surface carbon efflux anomaly of 132 TgC in June 2021, a magnitude corroborated 28 independently with a dynamic global vegetation model. Integrated satellite observations of hydrologic processes, representing the soil-plant-atmosphere continuum (SPAC), show that these surface carbon flux anomalies are largely due to substantial reductions in photosynthesis because of a spatially widespread moisture-deficit propagation through the SPAC between 2020 and 2021. A causal model indicates deep soil moisture stores partially drove photosynthesis, maintaining its values in 2020 and driving its declines throughout 2021. The causal model also suggests legacy effects may have amplified photosynthesis deficits in 2021 beyond the direct effects of environmental forcing. The integrated, observation framework presented here provides a valuable first assessment of a biosphere extreme response and an independent testbed for improving drought propagation and mechanisms in models. The rapid identification of extreme carbon anomalies and hotspots can also aid mitigation and adaptation decisions.

Causal model↗
NASA NTRS1988

Carbon cycle instability as a cause of the late Pleistocene ice age oscillations - Modeling the asymmetric response

A dynamical model of the Pleistocene ice ages is presented, which incorporates many of the qualitative ideas advanced recently regarding the possible role of ocean circulation, chemistry, temperature, and productivity in regulating long-term atmospheric carbon dioxide variations. This model involves one additional term (and free parameter) beyond that included in a previous model (Saltzman and Sutera, 1987), providing the capacity for an asymmetric response. It is shown that many of the main features exhibited by the delta(O-18)-derived ice record and the Vostok core/delta(C-13)-derived carbon dioxide record in the late Pleistocene can be deduced as a free oscillatory solution of the model.

Saltzman, Barry↗