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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Retrospective Analysis of Distributed Solar Interconnection Timelines and Related State Mandates

Most distributed residential photovoltaic (PV) systems must secure an interconnection agreement prior to operation that ensures the local electrical system will operate safely within the broader electrical grid. PV installers generally submit an interconnection application to the local utility that provides all the necessary details the utility needs to evaluate the proposed system. To encourage timely execution of this process, many states’ utility commissions have established mandates that limit the maximum number of days allowed for utility review and approval of interconnection for certain small, often residential applications. In this paper, we derive the median and range of cycle times for the pre-installation approval phase of the interconnection process (i.e., from application submission to approval by the utility) across 24 U.S. states, using a data set of approximately 170,000 projects. We evaluate the percentage of projects that are approved within respective state-mandated timelines from 2017– 2019. We further evaluate how timelines have evolved since 2012 for a subset of five states: Arizona, California, Colorado, New Jersey, and New York. The analyses are divided into two size ranges: systems that are ≤10 kilowatts (kW), and systems that are 11–50 kW.

14 SOLAR ENERGY↗
DOE OSTI2024

State-to-State Molecular Reactions in the Ultracold Regime (Final Scientific Report)

We have achieved the proposed goal to experimentally probe the AB + CD and AB + C types of reactions with state-to-state resolution, which we also compared to advanced theoretical calculations to help elucidate the role of quantum mechanics in the processes of bond breakage and formation. Our approach uses reactants that are prepared at ultracold temperatures (< 1µK) such that the quantum effects of translational motion are an important factor. Specific example reactions, including the potassium-rubidium metathesis reaction KRb + KRb → K 2 + Rb 2 as well as the atom exchange reaction Rb + KRb → Rb2 + K, are chosen because the technology of quantum internal and motional state control of these types of molecules is particularly advanced. The results for the entire funding period are fruitful. For the majority of this grant, we have constructed a one-of-the-kind quantum degenerate gas apparatus that integrates ion detection and velocity map imaging capabilities, allowing us to explore the KRb + KRb → K 2 + Rb 2 bimolecular reaction in detail. Specifically, we first verified such a reaction indeed proceed at ultracold temperatures by direct detection of reaction products. We then mapped out the complete product state distribution, which was compared to a state-counting model based on statistical theory. Our results show an overall agreement with the statistical state counting model, but also reveal several deviating state-pairs. An exact quantum calculation for molecule-molecule collisions, that is needed to understand these deviations, is however beyond the current state-of-the-art. Beside scrutinizing the reaction products, we also directly observe the reaction intermediate complex, which was quite a surprise to us. The intermediate complexes are long-lived and can interact with the inferred light that we use to trap the ultracold gas. After molecule-molecule collisions, we then explored the more theoretically tractable Rb + KRb reaction, which is endothermic. Surprisingly, we observed an exceedingly long-lived KRb$^*_2$ collisional complexes, with our experimentally measured complex lifetime deviating from conventional theoretical calculations by five orders of magnitude. This discrepancy has motivated many explorations of possible underlying causes, though no model yet captures this phenomenon completely. In the final year and the work that continues today, we extend upon these atom-molecule collision experiments to explore the origin of the long-lived KRb$^*_2$ complex lifetime and develop means to control the outcome of the reaction complex. The 5-year funded work advanced our understanding of chemical reactions at the lowest possible temperatures and at the same time opened up many new questions that are beyond our initial imaginations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

A Search for Transitions between States in Redbacks and Black Widows Using Seven Years of Fermi -LAT Observations

Considering about seven years of Fermi -Large Area Telescope (LAT) data, we present a systematic search for variability that is possibly related to transitions between states in redbacks and black widow systems. The transitions are characterized by sudden and significant changes in the gamma-ray flux that persist on a timescale that is much larger than the orbital period. This phenomenology was already detected in the case of two redback systems, PSR J1023+0038 and PSR J1227−4853, which we present here. We show the existence of only one transition for each of these systems over the past seven years. We determine their spectra, establishing high-energy cutoffs at a few GeV for the high gamma-ray state of PSR J1023+0038, and for both states of PSR J1227−4853. The surveying capability of the Fermi -LAT allows further study of whether similar phenomenology has occurred in other sources. Although we have not found any evidence of a state transition for most of the studied pulsars, we note two black-widow systems, PSR J2234+0944 and PSR J1446−4701, whose apparent variabilities are reminiscent of the transitions in PSR J1023+0038 and PSR J1227−4853. For the other systems, we set limits on potential transitions in their measured gamma-ray light curves.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Steady-state mixing state of black carbon aerosols from a particle-resolved model

Abstract. Black carbon (BC) exerts a notable warming effect due to its strong light absorption, largely influenced by its “mixing state”. However, due to computational constraints, the mixing state is challenging to accurately represent in large-scale models. In this study, we employ a particle-resolved model to simulate the evolution of BC mixing state based on field observation. Our result shows that aerosol compositions, coating thickness (CT) distribution, and optical properties of BC aerosols all exhibit a tendency toward a steady state with a characteristic timescale of less than 1 d, considerably shorter than the BC atmospheric lifetime. The rapid attainment of a steady state suggests that it is reasonable to disregard this pre-steady-state period and instead concentrate on the average properties of BC across extensive spatial and temporal scales. The distribution of CT follows an exponential linear distribution and can be characterized by a single slope parameter k. This distribution is independent of the BC core's distribution. In the model simulation, the mean CT, equivalent to the 1/k, is 62 nm, which is consistent with the statistical results indicating a mean CT of 63 nm. Utilizing the slope parameter k, which effectively characterizes the CT distribution under the steady-state simplifying assumption, the BC absorption enhancement closely corresponds to the results obtained via the particle-resolved method. This study simplifies the BC mixing state description and yields a precise evaluation of the BC optical properties, which has the potential utility for modeling efforts in the refinement of the assessment of BC's radiative effects.

Zhang, Zhouyang↗
NASA NTRS1980

Select state inland wetland protection laws. A review of the state laws and their natural resource data requirements

Although many states afford some measure of protection for wetland areas through flood-plain regulations or through programs for coastal areas, shorelands, scenic and wild rivers or pollution control, few states have programs that adequately deal with conservation of wetlands. Only 16 states have legislation specifically regulating development or use of wetlands. Most of the wetland acts apply only to coastal wetlands, several to inland wetlands and three acts apply to both. Many other states are still regulating wetland use through the dredge and fill and/or critical area program. Several offer tax incentives to property owners to encourage protection of wetlands or broader open spaces. Many states have acquired wetlands for park and wildlife purposes and a large measure of wetland protection is achieved by the very restrictive controls applied to floodways areas. Direct floodplain or floodway regulations or state standards for local regulations were adopted in 24 states but protection of ecological values of wetlands is rarely an explicit objective of these programs. Scenic and wild river programs adopted in one half of the states provide some protection for wetland areas.

Klein, S. B.↗
NASA NTRS2016

An Inertial Dual-State State Estimator for Precision Planetary Landing with Hazard Detection and Avoidance

The navigation filter architecture successfully deployed on the Morpheus flight vehicle is presented. The filter was developed as a key element of the NASA Autonomous Landing and Hazard Avoidance Technology (ALHAT) project and over the course of 15 free fights was integrated into the Morpheus vehicle, operations, and flight control loop. Flight testing completed by demonstrating autonomous hazard detection and avoidance, integration of an altimeter, surface relative velocity (velocimeter) and hazard relative navigation (HRN) measurements into the onboard dual-state inertial estimator Kalman flter software, and landing within 2 meters of the vertical testbed GPS-based navigation solution at the safe landing site target. Morpheus followed a trajectory that included an ascent phase followed by a partial descent-to-landing, although the proposed filter architecture is applicable to more general planetary precision entry, descent, and landings. The main new contribution is the incorporation of a sophisticated hazard relative navigation sensor-originally intended to locate safe landing sites-into the navigation system and employed as a navigation sensor. The formulation of a dual-state inertial extended Kalman filter was designed to address the precision planetary landing problem when viewed as a rendezvous problem with an intended landing site. For the required precision navigation system that is capable of navigating along a descent-to-landing trajectory to a precise landing, the impact of attitude errors on the translational state estimation are included in a fully integrated navigation structure in which translation state estimation is combined with attitude state estimation. The map tie errors are estimated as part of the process, thereby creating a dual-state filter implementation. Also, the filter is implemented using inertial states rather than states relative to the target. External measurements include altimeter, velocimeter, star camera, terrain relative navigation sensor, and a hazard relative navigation sensor providing information regarding hazards on a map generated on-the-fly.

Bishop, Robert H.↗
DOE OSTI2015

Detection of dark states in two-dimensional electronic photon-echo signals via ground-state coherence

Several recent experiments report on possibility of dark-state detection by means of so called beating maps of two-dimensional photon-echo spectroscopy [Ostroumov et al., Science 340, 52 (2013); Bakulin et al., Ultrafast Phenomena XIX (Springer International Publishing, 2015)]. The main idea of this detection scheme is to use coherence induced upon the laser excitation as a very sensitive probe. In this study, we investigate the performance of ground-state coherence in the detection of dark electronic states. For this purpose, we simulate beating maps of several models where the excited-state coherence can be hardly detected and is assumed not to contribute to the beating maps. The models represent strongly coupled electron-nuclear dynamics involving avoided crossings and conical intersections. In all the models, the initially populated optically accessible excited state decays to a lower-lying dark state within few hundreds femtoseconds. We address the role of Raman modes and of interstate-coupling nature. Our findings suggest that the presence of low-frequency Raman active modes significantly increases the chances for detection of dark states populated via avoided crossings, whereas conical intersections represent a more challenging task.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of bromobenzene and its perdeuterated isotopologue: Assignment of the vibrations of the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states of bromobenzene and the S{sub 0} and D{sub 0}{sup +} states of iodobenzene

We report vibrationally resolved spectra of the S{sub 1}←S{sub 0} transition of bromobenzene using resonance-enhanced multiphoton ionization spectroscopy. We study bromobenzene-h{sub 5} as well as its perdeuterated isotopologue, bromobenzene-d{sub 5}. The form of the vibrational modes between the isotopologues and also between the S{sub 0} and S{sub 1} electronic states is discussed for each species, allowing assignment of the bands to be achieved and the activity between states and isotopologues to be established. Vibrational bands are assigned utilizing quantum chemical calculations, previous experimental results, and isotopic shifts. Previous work and assignments of the S{sub 1} spectra are discussed. Additionally, the vibrations in the ground state cation, D{sub 0}{sup +}, are considered, since these have also been used by previous workers in assigning the excited neutral state spectra. We also examine the vibrations of iodobenzene in the S{sub 0} and D{sub 0}{sup +} states and comment on the previous assignments of these. In summary, we have been able to assign the corresponding vibrations across the whole monohalobenzene series of molecules, in the S{sub 0}, S{sub 1}, and D{sub 0}{sup +} states, gaining insight into vibrational activity and vibrational couplings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Nonequilibrium solvent effects in Born-Oppenheimer molecular dynamics for ground and excited electronic states

The effects of solvent on molecular processes such as excited state relaxation and photochemical reaction often occurs in a nonequilibrium regime. Dynamic processes such as these can be simulated using excited state molecular dynamics. In this work, we describe methods of simulating nonequilibrium solvent effects in excited state molecular dynamics using linear-response time-dependent density functional theory and apparent surface charge methods. These developments include a propagation method for solvent degrees of freedom and analytical energy gradients for the calculation of forces. Molecular dynamics of acetaldehyde in water or acetonitrile are demonstrated where the solute-solvent system is out of equilibrium due to photoexcitation and emission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

The Initial State of a Primordial Anisotropic Stage of Inflation

We investigate the possibility that the inflationary period in the early universe was preceded by a primordial stage of strong anisotropy. In particular we focus on the simplest model of this kind, where the spacetime is described by a non-singular Kasner solution that quickly evolves into an isotropic de Sitter space, the so-called Kasner-de Sitter solution. The initial Big Bang singularity is replaced, in this case, by a horizon. We show that the extension of this metric to the region behind the horizon contains a timelike singularity which will be visible by cosmological observers. This makes it impossible to have a reliable prediction of the quantum state of the cosmological perturbations in the region of interest. In this paper we consider the possibility that this Kasner-de Sitter universe is obtained as a result of a quantum tunneling process effectively substituting the region behind the horizon by an anisotropic parent vacuum state, namely a 1+1 dimensional spacetime compactified over an internal flat torus, T{sub 2}, which we take it to be of the form de Sitter{sub 2}×T{sub 2} or Minkowski{sub 2}×T{sub 2}. As a first approximation to understand the effects of this anisotropic initial state, we compute the power spectrum of a massless scalar field in these backgrounds. In both cases, the spectrum converges at small scales to the isotropic scale invariant form and only present important deviations from it at the largest possible scales. We find that the decompactification scenario from M{sub 2}×T{sub 2} leads to a suppressed and slightly anisotropic power spectrum at large scales which could be related to some of the anomalies present in the current CMB data. On the other hand, the spectrum of the universe with a dS{sub 2}×T{sub 2} parent vacuum presents an enhancement in power at large scales not consistent with observations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

HydroBio: Hydropower Capacity and Freshwater Biodiversity in Conterminous United States Sub-basins

This dataset summarizes existing and potential hydropower capacity and freshwater biodiversity at the sub-basin level throughout the conterminous United States (CONUS). It contains descriptive information regarding each sub-basin (e.g., 8-digit hydrologic unit code identifier, name, states, and size) along with sub-basin-level summaries of: 1) existing hydropower capacity (MW), 2) potential nominal non-powered dam (NPD) capacity (MW), 3) potential capacity of new stream reach development (NSD) (MW), and 4) freshwater biodiversity, including the total richness of fish, crayfish, and mussels and metrics that account for how rare and threatened those species tend to be. Hydropower data were obtained from Oak Ridge National Laboratory data resources (Existing Hydropower Assets, Non-Powered Dam Technical Potential, and New Stream Reach Development). Freshwater biodiversity data were obtained from NatureServe. Sub-basin characteristic information was obtained from the United States Geological Survey. Additionally, long data that provide lists of unique elements within each sub-basin for each constituent data resource (e.g., NatureServe, Existing Hydropower Assets) are provided to enhance dataset utility for users. The dataset provides, for the first time, a national-level assessment of existing and potential hydropower capacity in the context of freshwater biodiversity and is a valuable resource for stakeholders tasked with providing affordable, reliable energy to the American public while maintaining or enhancing invaluable freshwater resources. The dataset contains six data files in comma separated (*.csv) format that are within a zipped file.

Bozeman, Bryan [Oak Ridge National Laboratory (ORN↗
DOE OSTI2026

Analyzing the Free States of one Quantum Resource Theory as Resource States of Another

In the context of quantum resource theories (QRTs), free states are defined as those that can be obtained at no cost under a certain restricted set of conditions. However, when taking a free state from one QRT and evaluating it through the optics of another QRT, it might well turn out that the state is now extremely resourceful. Such realization has recently prompted numerous works characterizing states across several QRTs. Here, in this work, we contribute to this body of knowledge by analyzing the resourcefulness in free states for—and across witnesses of—the QRTs of multipartite entanglement, fermionic non-Gaussianity, imaginarity, realness, spin coherence, Clifford non-stabilizerness, $S_n$-equivariance, and non-uniform entanglement. We provide rigorous theoretical results as well as present numerical studies that showcase the rich and complex behavior that arises in this type of cross-examination.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Diversity of Chemical Bonding and Oxidation States in MS 4 Molecules of Group 8 Elements

The geometric and electronic ground-state structures of six MS 4 molecules (M = group-8 metals Fe, Ru, Os, Hs, Sm, and Pu) have been studied by using quantum-chemical density-functional and correlated wave-function approaches. The MS 4 species are compared to analogous MO 4 species recently investi-gated (Inorg. Chem. 2016, 55: 4616). Metal oxidation state (MOS) of high value VIII appears in low- spin singlet Td geometric species (Os,Hs)S 4 and (Ru,Os,Hs)O 4 , whereas low MOS=II appears in high- spin septet D 2d species Fe(S 2 ) 2 and (slightly excited) metastable Fe(O 2 ) 2 . The ground states of all other molecules have intermediate MOS values, containing S 2- , S 2 2- , S2 1- (and resp. O 2- -, O 1- , O 2 2- , O 2 1- ) ligands, bonded by ionic, covalent and correlative contributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Obtaining phase-optimized states from superpositions of coherent states in phase-sensitive attenuating/amplifying reservoirs

In this paper we present new nonclassical states of a single mode of the electromagnetic field constructed by superpositions of coherent states distributed over a semi-straight line starting from the origin of the phase space. These states have highly concentrated phase distributions and can be useful as approximations of phase states. We propose feasible schemes to prepare such states in microwave high-Q cavities and as traveling modes. We investigate nonclassical properties and determine the Wigner functions of such pure states. Then we consider the system in contact with a reservoir, taking into account dissipation and gain processes in the Markovian approximation, and study the time-evolution of these states by solving the master equation in the Wigner representation. From explicit expressions of the time-dependent Wigner functions, we study the time-dependence of nonclassical properties and use the negativity of the Wigner function to analyze the disappearance of sub-Planck structures as time evolves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Nonadiabatic excited-state molecular dynamics: On-the-fly limiting of essential excited states

The simulation of nonadiabatic dynamics in extended molecular systems involving hundreds of atoms and large densities of states is particularly challenging. Nonadiabatic coupling terms (NACTs) represent a significant numerical bottleneck in surface hopping approaches. Rather than using unreliable NACT cutting schemes, here we develop “on-the-fly” state limiting methods to eliminate states that are no longer essential for the non-radiative relaxation dynamics as a trajectory proceeds. Here, we propose a state number criteria and an energy-based state limit. The latter is more physically relevant by requiring a user-imposed energy threshold. For this purpose, we introduce a local kinetic energy gauge by summing contributions from atoms within the spatial localization of the electronic wavefunction to define the energy available for upward hops. The proposed state limiting schemes are implemented within the nonadiabatic excited-state molecular dynamics framework to simulate photoinduced relaxation in poly-phenylene vinylene (PPV) and branched poly-phenylene ethynylene (PPE) oligomers for benchmark evaluation.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field

State averaged complete active space self-consistent field (SA-CASSCF) is a workhorse for determining the excited-state electronic structure of molecules, particularly for states with multireference character; however, the method suffers from known issues that have prevented its wider adoption. One issue is the presence of discontinuities in potential energy surfaces when a state that is not included in the state averaging crosses with one that is. In this communication I introduce a new dynamical weight with spline (DWS) scheme that mimics SA-CASSCF while removing energy discontinuities due to unweighted state crossings. In addition, analytical gradients for DWS-CASSCF (and other dynamically weighted schemes) are derived for the first time, enabling energy-conserving excited-state ab initio molecular dynamics in instances where SA-CASSCF fails.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH{sub 4}, NH{sub 3}, H{sub 2}O, SiH{sub 4}, PH{sub 3}, SH{sub 2}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}. The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Land carbon sequestration within the conterminous United States: Regional‐ and state‐level analyses

Abstract A quantitative understanding of the rate at which land ecosystems are sequestering or losing carbon at national‐, regional‐, and state‐level scales is needed to develop policies to mitigate climate change. In this study, a new improved historical land use and land cover change data set is developed and combined with a process‐based ecosystem model to estimate carbon sources and sinks in land ecosystems of the conterminous United States for the contemporary period of 2001–2005 and over the last three centuries. We estimate that land ecosystems in the conterminous United States sequestered 323 Tg C yr −1 at the beginning of the 21st century with forests accounting for 97% of this sink. This land carbon sink varied substantially across the conterminous United States, with the largest sinks occurring in the Southeast. Land sinks are large enough to completely compensate fossil fuel emissions in Maine and Mississippi, but nationally, carbon sinks compensate for only 20% of U.S. fossil fuel emissions. We find that regions that are currently large carbon sinks (e.g., Southeast) tend to have been large carbon sources over the longer historical period. Both the land use history and fate of harvested products can be important in determining a region's overall impact on the atmospheric carbon budget. While there are numerous options for reducing fossil fuels (e.g., increase efficiency and displacement by renewable resources), new land management opportunities for sequestering carbon need to be explored. Opportunities include reforestation and managing forest age structure. These opportunities will vary from state to state and over time across the United States.

Lu, Xiaoliang↗