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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

A potential energy surface for the process H2 + H2O yielding H + H + H2O - Ab initio calculations and analytical representation

Extensive ab initio calculations on the ground state potential energy surface of H2 + H2O were performed using a large contracted Gaussian basis set and a high level of correlation treatment. An analytical representation of the potential energy surface was then obtained which reproduces the calculated energies with an overall root-mean-square error of only 0.64 mEh. The analytic representation explicitly includes all nine internal degrees of freedom and is also well behaved as the H2 dissociates; it thus can be used to study collision-induced dissociation or recombination of H2. The strategy used to minimize the number of energy calculations is discussed, as well as other advantages of the present method for determining the analytical representation.

Schwenke, David W.↗
NASA NTRS1992

A new diabatic representation of the coupled potential energy surfaces for Na(3p P-2) + H2 yields Na(3s S-2) + H2 or NaH + H

A diabatic representation is presented of the coupled potential-energy surfaces for Na(3p P-2) + H2 yields Na (3s S-2) + H2 or NaH + H. The representation is designed to yield, upon diagonalization, realistic values for the two lowest energy adiabatic states at both asymptotes of the chemical reaction as well as near the conical intersection in the three-body interaction region. It is economical to evaluate and portable. It is suitable for dynamics calculations on both the quenching process and the electronically nonadiabatic chemical reaction.

Halvick, Philippe↗
NASA NTRS2017

The Contribution of Solar Brightening to the US Maize Yield Trend

Predictions of crop yield under future climate change are predicated on historical yield trends1,2,3, hence it is important to identify the contributors to historical yield gains and their potential for continued increase. The large gains in maize yield in the US Corn Belt have been attributed to agricultural technologies4, ignoring the potential contribution of solar brightening (decadal-scale increases in incident solar radiation) reported for much of the globe since the mid-1980s. In this study, using a novel biophysical/empirical approach, we show that solar brightening contributed approximately 27% of the US Corn Belt yield trend from 1984 to 2013. Accumulated solar brightening during the post-flowering phase of development of maize increased during the past three decades, causing the yield increase that previously had been attributed to agricultural technology. Several factors are believed to cause solar brightening, but their relative importance and future outlook are unknown, making prediction of continued solar brightening and its future contribution to yield gain uncertain. Consequently, results of this study call into question the implicit use of historical yield trends in predicting yields under future climate change scenarios.

Matthijs Tollenaar↗
NASA NTRS2023

Heat Stress to Jeopardize Crop Production in the US Corn Belt Based on Downscaled CMIP5 Projections

CONTEXT Global food security faces increasing challenges from the changing climate. Changes of agricultural output from some of the most productive regions such as the US Corn Belt can largely affect the world's food market. Developing predictive understanding of the agricultural risk of climate change and potential mitigation strategies is critical for the global food security. OBJECTIVE The objective of this study is to assess the responses of maize and soybean yield to projected climate changes in the Corn Belt, identify the shifting environment stressors on crop yield, and tackle potential climate adaptation strategies. METHODS We drive a process-based model, the Decision Support System for Agrotechnology Transfer, with high-resolution statistically downscaled and bias-corrected historical and future climates from ten CMIP5 models in the MACA-2 database. RESULTS AND CONCLUSIONS The multi-model ensemble mean suggests a 12% decrease of maize yield by mid-century and 40% by late century, with a high degree of model consensus in the direction of changes; for individual models, the projected decrease of maize yield by late century ranges from <5% to over 80%, with the worst crop outcome corresponding to the most sensitive climate models. Soybean yield is projected to increase by midcentury with a high degree of model consensus, but such consensus is lost by late century as some projections shift to significant decreases. Crop yield in the Corn Belt is currently limited by water stress, but is projected to be increasingly limited by heat stress as well after the midcentury. The mounting heat stress will drive the most productive zone for maize to shift from central to northern part of the Corn Belt, but the projected increase in the northern states cannot fully compensate for the decrease in the south, causing the total production to decrease if agricultural practice stays the same. Earlier planting can alleviate only a small fraction of the heat-induced crop loss in a warmer climate. Climate change will (at least partially) offset the yield boost caused by agricultural technology and intensification. SIGNIFICANCE This study advances our predictive understanding of crop yield responses to climate change, and suggests that a multitude of strategies will be needed to address the climate change challenges for the U.S. agriculture.

Crop yield↗
NASA NTRS1982

User's appraisal of yield model evaluation criteria

The five major potential USDA users of AgRISTAR crop yield forecast models rated the Yield Model Development (YMD) project Test and Evaluation Criteria by the importance placed on them. These users were agreed that the "TIMELINES" and "RELIABILITY" of the forecast yields would be of major importance in determining if a proposed yield model was worthy of adoption. Although there was considerable difference of opinion as to the relative importance of the other criteria, "COST", "OBJECTIVITY", "ADEQUACY", AND "MEASURES OF ACCURACY" generally were felt to be more important that "SIMPLICITY" and "CONSISTENCY WITH SCIENTIFIC KNOWLEDGE". However, some of the comments which accompanied the ratings did indicate that several of the definitions and descriptions of the criteria were confusing.

Warren, F. B.↗
NASA NTRS2016

End-to-End Assessment of a Large Aperture Segmented Ultraviolet Optical Infrared (UVOIR) Telescope Architecture

Key challenges of a future large aperture, segmented Ultraviolet Optical Infrared (UVOIR) Telescope capable of performing a spectroscopic survey of hundreds of Exoplanets will be sufficient stability to achieve 10^-10 contrast measurements and sufficient throughput and sensitivity for high yield Exo-Earth spectroscopic detection. Our team has collectively assessed an optimized end to end architecture including a high throughput coronagraph capable of working with a segmented telescope, a cost-effective and heritage based stable segmented telescope, a control architecture that minimizes the amount of new technologies, and an Exo-Earth yield assessment to evaluate potential performance. These efforts are combined through integrated modeling, coronagraph evaluations, and Exo-Earth yield calculations to assess the potential performance of the selected architecture. In addition, we discusses the scalability of this architecture to larger apertures and the technological tall poles to enabling it.

Feinberg, Lee↗
NASA NTRS1990

Calorimetric determination of thermal parameters for the Li/BrCl in SOCl2 (BCX) chemistry

The heat capacity of a Li-BCX DD-cell was found to be dependent on its state of charge by drop calorimetry measurements. The method of drop calorimetry involves measuring the energy (joules) gained or lost from a sample that is transferred from a bath at temperature A to one at temperature B. The thermoneutral potential is defined as the cell potential where the cell electrochemical reactions are neither exothermic nor endothermic. A Hart scientific calorimeter system, Model No. S77XX, designed for heat conduction calorimetry and drop calorimetry was used. Calorimetric analysis yielded a thermoneutral potential of 4.14 volts and a cell heat capacity dependent on the state of charge.

Darcy, Eric C.↗
NASA NTRS1980

An interaction algorithm for prediction of mean and fluctuating velocities in two-dimensional aerodynamic wake flows

A theoretical analysis is presented yielding sets of partial differential equations for determination of turbulent aerodynamic flowfields in the vicinity of an airfoil trailing edge. A four phase interaction algorithm is derived to complete the analysis. Following input, the first computational phase is an elementary viscous corrected two dimensional potential flow solution yielding an estimate of the inviscid-flow induced pressure distribution. Phase C involves solution of the turbulent two dimensional boundary layer equations over the trailing edge, with transition to a two dimensional parabolic Navier-Stokes equation system describing the near-wake merging of the upper and lower surface boundary layers. An iteration provides refinement of the potential flow induced pressure coupling to the viscous flow solutions. The final phase is a complete two dimensional Navier-Stokes analysis of the wake flow in the vicinity of a blunt-bases airfoil. A finite element numerical algorithm is presented which is applicable to solution of all partial differential equation sets of inviscid-viscous aerodynamic interaction algorithm. Numerical results are discussed.

Baker, A. J.↗
NASA NTRS2008

Characterizing ISS Charging Environments with On-Board Ionospheric Plasma Measurements

Charging of the International Space Station (ISS) is dominated by interactions of the biased United States (US) 160 volt solar arrays with the relatively high density, low temperature plasma environment in low Earth orbit. Conducting surfaces on the vehicle structure charge negative relative to the ambient plasma environment because ISS structure is grounded to the negative end of the US solar arrays. Transient charging peaks reaching potentials of some tens of volts negative controlled by photovoltaic array current collection typically occur at orbital sunrise and sunset as well as near orbital noon. In addition, surface potentials across the vehicle structure vary due to an induced v x B (dot) L voltage generated by the high speed motion of the conducting structure across the Earth's magnetic field. Induced voltages in low Earth orbit are typically only approx.0.4 volts/meter but the approx.100 meter scale dimensions of the ISS yield maximum induced potential variations ofapprox.40 volts across the vehicle. Induced voltages are variable due to the orientation of the vehicle structure and orbital velocity vector with respect to the orientation of the Earth's magnetic field along the ISS orbit. In order to address the need to better understand the ISS spacecraft potential and plasma environments, NASA funded development and construction of the Floating Potential Measurement Unit (FPMU) which was deployed on an ISS starboard truss arm in August 2006. The suite of FPMU instruments includes two Langmuir probes, a plasma impedance probe, and a potential probe for use in in-situ monitoring of electron temperatures and densities and the vehicle potential relative to the plasma environment. This presentation will describe the use of the FPMU to better characterize interactions of the ISS with the space environment, changes in ISS charging as the vehicle configuration is modified during ISS construction, and contributions of FPMU vehicle potential and plasma environment measurements to investigations of on-orbit anomalies in ISS systems.

Minow, Jospeh I.↗
NASA NTRS2003

Testing and Analysis of NEXT Ion Engine Discharge Cathode Assembly Wear

Experimental and analytical investigations were conducted to predict the wear of the discharge cathode keeper in the NASA Evolutionary Xenon Thruster. The ion current to the keeper was found to be highly dependent upon the beam current, and the average beam current density was nearly identical to that of the NSTAR thruster for comparable beam current density. The ion current distribution was highly peaked toward the keeper orifice. A deterministic wear assessment predicted keeper orifice erosion to the same diameter as the cathode tube after processing 375 kg of xenon. A rough estimate of discharge cathode assembly life limit due to sputtering indicated that the current design exceeds the qualification goal of 405 kg. Probabilistic wear analysis showed that the plasma potential and the sputter yield contributed most to the uncertainty in the wear assessment. It was recommended that fundamental experimental and modeling efforts focus on accurately describing the plasma potential and the sputtering yield.

Domonkos, Matthew T.↗
NASA NTRS2016

Similar Estimates of Temperature Impacts on Global Wheat Yield by Three Independent Methods

The potential impact of global temperature change on global crop yield has recently been assessed with different methods. Here we show that grid-based and point-based simulations and statistical regressions (from historic records), without deliberate adaptation or CO2 fertilization effects, produce similar estimates of temperature impact on wheat yields at global and national scales. With a 1 C global temperature increase, global wheat yield is projected to decline between 4.1% and 6.4%. Projected relative temperature impacts from different methods were similar for major wheat-producing countries China, India, USA and France, but less so for Russia. Point-based and grid-based simulations, and to some extent the statistical regressions, were consistent in projecting that warmer regions are likely to suffer more yield loss with increasing temperature than cooler regions. By forming a multi-method ensemble, it was possible to quantify 'method uncertainty' in addition to model uncertainty. This significantly improves confidence in estimates of climate impacts on global food security.

Climate impacts↗
NASA NTRS2021

Future Climate Change Significantly Alters Interannual Wheat Yield Variability Over Half of Harvested Areas

Climate change affects the spatial and temporal distribution of crop yields, which can critically impair food security across scales. A number of previous studies have assessed the impact of climate change on mean crop yield and future food availability, but much less is known about potential future changes in interannual yield variability. Here, we evaluate future changes in relative interannual global wheat yield variability (the coefficient of variation (CV)) at 0.25° spatial resolution for two representative concentration pathways (RCP4.5 and RCP8.5). A multi-model ensemble of crop model emulators based on global process-based models is used to evaluate responses to changes in temperature, precipitation, and CO2. The results indicate that over 60% of harvested areas could experience significant changes in interannual yield variability under a high-emission scenario by the end of the 21st century (2066–2095). About 31% and 44% of harvested areas are projected to undergo significant reductions of relative yield variability under RCP4.5 and RCP8.5, respectively. In turn, wheat yield is projected to become more unstable across 23% (RCP4.5) and 18% (RCP8.5) of global harvested areas—mostly in hot or low fertilizer input regions, including some of the major breadbasket countries. The major driver of increasing yield CV change is the increase in yield standard deviation, whereas declining yield CV is mostly caused by stronger increases in mean yield than in the standard deviation. Changes in temperature are the dominant cause of change in wheat yield CVs, having a greater influence than changes in precipitation in 53% and 72% of global harvested areas by the end of the century under RCP4.5 and RCP8.5, respectively. This research highlights the potential challenges posed by increased yield variability and the need for tailored regional adaptation strategies.

Climate change↗
NASA NTRS2023

Climate Variability and Simultaneous Breadbasket Yield Shocks as Observed in Long-Term Yield Records

That climate variability and change can potentially force multiple simultaneous breadbasket crop yield shocks has been established. But research quantifying the mechanisms behind such simultaneous shocks has been constrained by short records of crop yields. Here we compile a dataset of subnational crop yields in 25 countries dating back to 1900 to study the frequency and trends in multiple breadbasket yield shocks and how large-scale climate anomalies on interannual timescales have affected multiple breadbasket yield shocks over the last century. We find that major simultaneous breadbasket yield shocks have occurred in at least three, four, or five of nine breadbaskets 10.3%, 2.3% and 1.1% of the time for maize and 18.4%, 4.6% and 2.3% of the time for wheat. Furthermore, we find that multiple breadbasket yield shocks decreased in frequency even as those breadbaskets experience increasingly frequent climate-related shocks. For both maize and wheat breadbaskets, there were fewer simultaneous yield shocks during the 1975–2017 time period as compared to 1931–1975. Finally, we find that interannual modes of climate variability - such as the El Niño Southern Oscillation (ENSO), the Indian Ocean Dipole (IOD), and the North Atlantic Oscillation (NAO) - have all affected the relative probability of simultaneous yield shocks in pairs of breadbaskets by up to 20–40% in both maize and wheat breadbaskets. While past literature has focused on the effects of ENSO, we find that at the global scale the NAO affects the overall number of wheat yield shocks most strongly despite only affecting northern hemisphere breadbaskets.

agriculture↗
NASA NTRS1988

Recent advances in electronic structure theory and their influence on the accuracy of ab initio potential energy surfaces

Recent advances in electronic structure theory and the availability of high speed vector processors have substantially increased the accuracy of ab initio potential energy surfaces. The recently developed atomic natural orbital approach for basis set contraction has reduced both the basis set incompleteness and superposition errors in molecular calculations. Furthermore, full CI calculations can often be used to calibrate a CASSCF/MRCI approach that quantitatively accounts for the valence correlation energy. These computational advances also provide a vehicle for systematically improving the calculations and for estimating the residual error in the calculations. Calculations on selected diatomic and triatomic systems will be used to illustrate the accuracy that currently can be achieved for molecular systems. In particular, the F+H2 yields HF+H potential energy hypersurface is used to illustrate the impact of these computational advances on the calculation of potential energy surfaces.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1989

Recent advances in electronic structure theory and their influence on the accuracy of ab initio potential energy surfaces

Recent advances in electronic structure theory and the availability of high speed vector processors have substantially increased the accuracy of ab initio potential energy surfaces. The recently developed atomic natural orbital approach for basis set contraction has reduced both the basis set incompleteness and superposition errors in molecular calculations. Furthermore, full CI calculations can often be used to calibrate a CASSCF/MRCI approach that quantitatively accounts for the valence correlation energy. These computational advances also provide a vehicle for systematically improving the calculations and for estimating the residual error in the calculations. Calculations on selected diatomic and triatomic systems will be used to illustrate the accuracy that currently can be achieved for molecular systems. In particular, the F + H2 yields HF + H potential energy hypersurface is used to illustrate the impact of these computational advances on the calculation of potential energy surfaces.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1996

Sulfur, Chlorine and Fluorine Degassing and Atmospheric Loading by the Roza eruption, Columbia River Basalt Group, Washington

In this study we attempt to quantify the amount of S, Cl and F released by the 1300 cu km Roza member (approximately 14.7 Ma) of the Columbia River Basalt Group, which was produced by a moderate-size flood basalt eruption in the mid-Miocene. Our results are the first indication of the potential atmospheric SO2 yield from a flood basalt eruption, and indicate the mechanism by which flood basalt eruptions may have seriously affected the environment. Glass inclusions in phenocrysts and quenched glass in products from various stages of the eruption were analyzed for concentrations of S, Cl and F and major elements. Glass inclusions contain 1965 +/- 110 ppm S, 295 +/- 65 ppm Cl and 1310 +/- 110 ppm F. Groundmass glass of Roza dike selvages contains considerably lower concentrations: 1110 +/- 90 ppm S, 245 +/- 30 ppm Cl and 1020 +/- 25 ppm F. Scoria clasts from near vent deposits contain 665 +/- 75 ppm S, 175 +/- 5 ppm Cl and 950 +/- 20 ppm F, and the groundmass glass of lava selvages contains 520 +/- 30 ppm S, 190 +/- 30 ppm Cl and 890 +/- 55 ppm F. In crystalline lava, the concentrations are 195 ppm S, 100 ppm Cl and 830 ppm F. Volatile element concentrations in these samples represent the progress of degassing through the eruption and can be used to estimate the potential amount of the volatiles S, Cl and F released by the magma into the atmosphere, as well as to evaluate the amount liberated by various phases of the eruption. The total amount of volatiles released by the Roza eruption is estimated to have been approximately 12,420 MtSO2, approximately 710 MtHCI and approximately 1780 MtHF. The Roza magma liberated approximately 9620 MtSO, (77% of the total volatile mass released), approximately 400 MtHCI (56%) and approximately 1450 MtHF (81%) at the vents and lofted by the eruption columns to altitudes of 7-13 km. Degassing of the lava is estimated to have released an additional approximately 2810 MtSO2, approximately 310 MtHCI and approximately 330 MtHF. The Roza eruption is likely to have lasted for approximately 10 years, indicating an annual H2SO4-mass loading of approximately 1800 Mt. Thus, the atmospheric perturbations associated with the Roza eruption may have been of the magnitude predicted for a severe "nuclear" or "volcanic" winter, but lasting up to a decade or more.

Thordarson, Th.↗
NASA NTRS1969

Rotational relaxation in parahydrogen and its mixtures with helium, neon, and argon at 300 deg K.

Ultrasonic‐velocity dispersion measurements have been performed in parahydrogen and its mixtures with helium, neon, and argon, all at 300°K. In each case the experimental dispersion curves can be matched successfully to those calculated under the assumption that the 0–2 rotational transition relaxes separately from the 2–4 and higher‐order terms. For pure pH 2 we find a relaxation time 𝜏 20 of 1.30 × 10 −8 sec for the 2 → 0 transition and a 𝜏 42 of 3.90 × 10 −8 sec for the 4 → 2 transition. Comparison with the quantum‐mechanical theories of Roberts and of Davison for H 2 –H 2 collisions using Morse potentials shows good agreement for 𝜏 20 over the temperature range of 75°–300°K. The Morse‐potential asymmetry parameter yielding the best fit is β = 0.113 for Roberts' calculation and 0.108 for Davison's. It is found that He–pH 2 collisions are more effective than pH 2 –pH 2 in producing the J = 0 to J = 2 transition, but less effective for higher‐order transitions. Collisions of neon with pH 2 are found to be more effective at room temperature for inducing the 0 → 2 and 2 → 4 transitions than either helium or argon.

Leonard M Valley↗