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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

The transition from the open minimum to the ring minimum on the ground state and on the lowest excited state of like symmetry in ozone: A configuration interaction study

The metastable ring structure of the ozone 1{sup 1}A{sub 1} ground state, which theoretical calculations have shown to exist, has so far eluded experimental detection. An accurate prediction for the energy difference between this isomer and the lower open structure is therefore of interest, as is a prediction for the isomerization barrier between them, which results from interactions between the lowest two {sup 1}A{sub 1} states. In the present work, valence correlated energies of the 1{sup 1}A{sub 1} state and the 2{sup 1}A{sub 1} state were calculated at the 1{sup 1}A{sub 1} open minimum, the 1{sup 1}A{sub 1} ring minimum, the transition state between these two minima, the minimum of the 2{sup 1}A{sub 1} state, and the conical intersection between the two states. The geometries were determined at the full-valence multi-configuration self-consistent-field level. Configuration interaction (CI) expansions up to quadruple excitations were calculated with triple-zeta atomic basis sets. The CI expansions based on eight different reference configuration spaces were explored. To obtain some of the quadruple excitation energies, the method of Correlation Energy Extrapolation by Intrinsic Scaling was generalized to the simultaneous extrapolation for two states. This extrapolation method was shown to be very accurate. On the other hand, none of the CI expansions were found to have converged to millihartree (mh) accuracy at the quadruple excitation level. The data suggest that convergence to mh accuracy is probably attained at the sextuple excitation level. On the 1{sup 1}A{sub 1} state, the present calculations yield the estimates of (ring minimum—open minimum) ∼45–50 mh and (transition state—open minimum) ∼85–90 mh. For the (2{sup 1}A{sub 1}–{sup 1}A{sub 1}) excitation energy, the estimate of ∼130–170 mh is found at the open minimum and 270–310 mh at the ring minimum. At the transition state, the difference (2{sup 1}A{sub 1}–{sup 1}A{sub 1}) is found to be between 1 and 10 mh. The geometry of the transition state on the 1{sup 1}A{sub 1} surface and that of the minimum on the 2{sup 1}A{sub 1} surface nearly coincide. More accurate predictions of the energy differences also require CI expansions to at least sextuple excitations with respect to the valence space. For every wave function considered, the omission of the correlations of the 2s oxygen orbitals, which is a widely used approximation, was found to cause errors of about ±10 mh with respect to the energy differences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

The structure of water around the compressibility minimum

Here we present diffraction data that yield the oxygen-oxygen pair distribution function, g{sub OO}(r) over the range 254.2–365.9 K. The running O-O coordination number, which represents the integral of the pair distribution function as a function of radial distance, is found to exhibit an isosbestic point at 3.30(5) Å. The probability of finding an oxygen atom surrounding another oxygen at this distance is therefore shown to be independent of temperature and corresponds to an O-O coordination number of 4.3(2). Moreover, the experimental data also show a continuous transition associated with the second peak position in g{sub OO}(r) concomitant with the compressibility minimum at 319 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Solar Effects on Climate and the Maunder Minimum: Minimum Certainty

The current state of our understanding of solar effects on climate is reviewed. As an example of the relevant issues, the climate during the Maunder Minimum is compared with current conditions in GCM simulations that include a full stratosphere and parameterized ozone response to solar spectral irradiance variability and trace gas changes. The GISS Global Climate/Middle Atmosphere Model coupled to a q-flux/mixed layer model is used for the simulations, which begin in 1500 and extend to the present. Experiments were made to investigate the effect of total versus spectrally-varying solar irradiance changes; spectrally-varying solar irradiance changes on the stratospheric ozone/climate response with both pre-industrial and present trace gases; and the impact on climate and stratospheric ozone of the preindustrial trace gases and aerosols by themselves. The results showed that: (1) the Maunder Minimum cooling relative to today was primarily associated with reduced anthropogenic radiative forcing, although the solar reduction added 40% to the overall cooling. There is no obvious distinguishing surface climate pattern between the two forcings. (2)The global and tropical response was greater than 1 C, in a model with a sensitivity of 1.2 C per W m-2. To reproduce recent low-end estimates would require a sensitivity 1/4 as large. (3) The global surface temperature change was similar when using the total and spectral irradiance prescriptions, although the tropical response was somewhat greater with the former, and the stratospheric response greater with the latter. (4) Most experiments produce a relative negative phase of the NAO/AO during the Maunder Minimum, with both solar and anthropogenic forcing equally capable, associated with the tropical cooling and relative poleward EP flux refraction. (5) A full stratosphere appeared to be necessary for the negative AO/NAO phase, as was the case with this model for global warming experiments, unless the cooling was very large, while the ozone response played a minor role and did not influence surface temperature significantly. (6) Stratospheric ozone was most affected by the difference between present day and preindustrial atmospheric composition and chemistry, with increases in the upper and lower stratosphere during the Maunder Minimum. While the estimated UV reduction led to ozone decreases, this was generally less important than the anthropogenic effect except in the upper middle stratosphere, as judged by two different ozone photochemistry schemes. (7) The effect of the reduced solar irradiance on stratospheric ozone and on climate was similar in Maunder Minimum and current atmospheric conditions.

Rind, David↗
DOE OSTI2013

Could a future “Grand Solar Minimum” like the Maunder Minimum stop global warming?

A future Maunder Minimum type grand solar minimum, with total solar irradiance reduced by 0.25% over a 50 year period from 2020 to 2070, is imposed in a future climate change scenario experiment (RCP4.5) using, for the first time, a global coupled climate model that includes ozone chemistry and resolved stratospheric dynamics (Whole Atmosphere Community Climate Model). This model has been shown to simulate two amplifying mechanisms that produce regional signals of decadal climate variability comparable to observations, and thus is considered a credible tool to simulate the Sun's effects on Earth's climate. After the initial decrease of solar radiation in 2020, globally averaged surface air temperature cools relative to the reference simulation by up to several tenths of a degree Centigrade. By the end of the grand solar minimum in 2070, the warming nearly catches up to the reference simulation. Thus, a future grand solar minimum could slow down but not stop global warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Piecewise linear approximation with minimum number of linear segments and minimum error: A fast approach to tighten and warm start the hierarchical mixed integer formulation

In several areas of economics and engineering, it is often necessary to fit discrete data points or approximate nonlinear functions with continuous functions. Piecewise linear (PWL) functions are a convenient way to achieve this. PWL functions can be modeled in mathematical problems using only linear and integer variables. Moreover, there is a computational benefit in using PWL functions that have the least possible number of segments. This work proposes a novel hierarchical mixed integer linear programming (MILP) formulation that identifies a continuous PWL approximation with minimum number of linear segments for a given target maximum error. The proposed MILP formulation also identifies the solution with the least maximum error among the solutions with minimum number of segments. Then, this work proposes a fast iterative algorithm that identifies non necessarily continuous PWL approximations by solving O(S log N) linear programming (LP) problems, where N is the number of data points and S is the minimum number of segments in the non necessarily continuous case. This work demonstrates that tight bounds for the MILP problem can be derived from these approximations. Next, a fast algorithm is introduced to transform a non necessarily continuous PWL approximation into a continuous one. Finally, the tight bounds and the continuous PWL approximations are used to tighten and warm start the MILP problem. The tightened formulation is shown in experimental results to be more efficient, especially for large data sets, with a solution time that is up to two orders of magnitude less than the existing literature.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

IMPLICATIONS OF THE RECENT LOW SOLAR MINIMUM FOR THE SOLAR WIND DURING THE MAUNDER MINIMUM

The behavior of the Sun and near-Earth space during grand solar minima is not understood; however, the recent long and low minimum of the decadal-scale solar cycle gives some important clues, with implications for understanding the solar dynamo and predicting space weather conditions. The speed of the near-Earth solar wind and the strength of the interplanetary magnetic field (IMF) embedded within it can be reliably reconstructed for before the advent of spacecraft monitoring using observations of geomagnetic activity that extend back to the mid-19th century. We show that during the solar cycle minima around 1879 and 1901 the average solar wind speed was exceptionally low, implying the Earth remained within the streamer belt of slow solar wind flow for extended periods. This is consistent with a broader streamer belt, which was also a feature of the recent low minimum (2009), and yields a prediction that the low near-Earth IMF during the Maunder minimum (1640-1700), as derived from models and deduced from cosmogenic isotopes, was accompanied by a persistent and relatively constant solar wind of speed roughly half the average for the modern era.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1990

Relaxed states of MHD turbulence - Minimum dissipation or minimum energy?

The results of driven, steady-state MHD computations are described by adapting the principle of minimum energy dissipation rate to MHD. It is argued that there is a variational principle that is as useful for the driven, steady-state problem as the minimum energy principle is for isolated mechanical systems, particularly for fluids and magnetofluids. Driven, dissipative MHD is reexamined from the standpoint of minimum-dissipation-rate principles.

Montgomery, David↗
NASA NTRS1989

Minimum-variance reduced-order estimation algorithms from Pontrygin's minimum principle

A uniform derivation of minimum-variance reduced-order (MVRO) filter-smoother algorithms from Pontrygin's Minimum Principle is presented. An appropriate performance index for a general class of reduced order estimation problem is formulated herein to yield optimal results over the entire time interval of estimation. These results provide quantitative criteria for measuring the performance of certain classes of heuristically designed, suboptimal reduced-order estimators as well as explicit guidance to the suboptimal filter design process with both continuous and discrete filter-smoother algorithms being considered. By the duality principle, the algorithms of reduced-order estimation can be easily extended to the deterministic problems of optimal control (i.e., the regulator and linear tracking problem).

Ebrahimi, Yaghoob S.↗
DOE OSTI2018

Minimum Energy of Multicomponent Distillation Systems Using Minimum Additional Heat and Mass Integration Sections

Heat and mass integration to consolidate distillation columns in a multicomponent distillation configuration can lead to a number of new energy efficient and cost effective configurations. In this paper, we identify a powerful and simple-to-use fact about heat and mass integration. The newly developed heat and mass integrated configurations, which we call as HMP configurations, involve first introducing thermal couplings to all intermediate transfer streams, followed by consolidating columns associated with a lighter pure product reboiler and a heavier pure product condenser. A systematic method of enumerating all HMP configurations is introduced. We compare the energy savings of HMP configurations with the well-known fully thermally coupled (FTC) configurations. We demonstrate that HMP configurations can have very similar and sometimes even the same minimum total vapor duty requirement as the FTC configuration, while using far less number of column sections, intermediate transfer streams, and thermal couplings than the FTC configurations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗