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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 OSTI2022

The CORDEX-CORE EXP-I Initiative: Description and Highlight Results from the Initial Analysis

Here we describe the first effort within the Coordinated Regional Climate Downscaling Experiment–Coordinated Output for Regional Evaluation, or CORDEX-CORE EXP-I. It consists of a set of twenty-first-century projections with two regional climate models (RCMs) downscaling three global climate model (GCM) simulations from the CMIP5 program, for two greenhouse gas concentration pathways (RCP8.5 and RCP2.6), over nine CORDEX domains at ~25-km grid spacing. Illustrative examples from the initial analysis of this ensemble are presented, covering a wide range of topics, such as added value of RCM nesting, extreme indices, tropical and extratropical storms, monsoons, ENSO, severe storm environments, emergence of change signals, and energy production. They show that the CORDEX-CORE EXP-I ensemble can provide downscaled information of unprecedented comprehensiveness to increase understanding of processes relevant for regional climate change and impacts, and to assess the added value of RCMs. The CORDEX-CORE EXP-I dataset, which will be incrementally augmented with new simulations, is intended to be a public resource available to the scientific and end-user communities for application to process studies, impacts on different socioeconomic sectors, and climate service activities. The future of the CORDEX-CORE initiative is also discussed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Re-evaluation of rate constants for the reaction N 2 H 4 (+ M) $^→_←$ NH 2 + NH 2 (+ M)

Rate constants for the dissociation/recombination reaction N 2 H 4 (+ M) $^→_←$ NH 2 + NH 2 (+ M) are determined by a combination of quantum-chemical calculations and statistical unimolecular rate theory. Between 1100 and 2500 K, limiting low-pressure rate constants for hydrazine dissociation in the bath gas Ar of k 0 = [Ar] 6.1 × 10 20 (T/1000 K) –7.3 exp (-34490 K/T) cm 3 mol –1 s –1 , limiting high-pressure rate constants of k ∞ = 7.6 × 10 16 (T/1000 K) –1.0 exp(-33600 K/T) s –1 , and center broadening factors of the falloff curves (between 1100 and 1600 K in Ar) of F cent = 0.71 exp(- T/1460 K) + 0.29 exp(- T/21 K) + exp(-13400 K/T) were calculated. Using equilibrium constants K C = 1.7 × 10 3 (T/1000 K) –1.5 exp(-33,460 K/T) mol cm –3 , between 300 and 600 K limiting low-pressure rate constants for the reverse recombination of NH 2 radicals in the bath gas N 2 of k rec,0 = [N 2 ] 4.4 × 10 20 (T/400 K) –6.9 exp (-1630 K/T) cm 6 mol –2 s –1 , limiting high-pressure rate constants of k rec,∞ = 4.4 × 10 13 (T/1000 K) 0.44 exp(-140 K/T) cm 3 mol -1 s –1 , and center broadening factors (between 300 and 600 K in N 2 ) of F cent = exp(- T/1130 K) + exp (-10340 K/T) were obtained. A comparison with experimental results for hydrazine dissociation from the literature suggests incomplete falloff extrapolations toward k ∞ and experimental problems in the determination of k 0 at temperatures above about 1600 K. Finally, implications of the present re-evaluated rate constants for the modeling of high temperature ammonia oxidation kinetics are discussed, showing an only small influence of their precise values on the overall properties of the process.

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

HO x radical chemistry in oxidation flow reactors with low-pressure mercury lamps systematically examined by modeling

Oxidation flow reactors (OFRs) using OH produced from low-pressure Hg lamps at 254 nm (OFR254) or both 185 and 254 nm (OFR185) are commonly used in atmospheric chemistry and other fields. OFR254 requires the addition of externally formed O 3 since OH is formed from O 3 photolysis, while OFR185 does not since O 2 can be photolyzed to produce O 3 , and OH can also be formed from H 2 O photolysis. In this study, we use a plug-flow kinetic model to investigate OFR properties under a very wide range of conditions applicable to both field and laboratory studies. We show that the radical chemistry in OFRs can be characterized as a function of UV light intensity, H 2 O concentration, and total external OH reactivity (OHR ext , e.g., from volatile organic compounds (VOCs), NO x , and SO 2 ). OH exposure is decreased by added external OH reactivity. OFR185 is especially sensitive to this effect at low UV intensity due to low primary OH production. OFR254 can be more resilient against OH suppression at high injected O 3 (e.g., 70 ppm), as a larger primary OH source from O 3 , as well as enhanced recycling of HO 2 to OH, make external perturbations to the radical chemistry less significant. However if the external OH reactivity in OFR254 is much larger than OH reactivity from injected O 3 , OH suppression can reach 2 orders of magnitude. For a typical input of 7 ppm O 3 (OHR O 3 = 10 s −1 ), 10-fold OH suppression is observed at OHR ext ~ 100 s −1 , which is similar or lower than used in many laboratory studies. The range of modeled OH suppression for literature experiments is consistent with the measured values except for those with isoprene. The finding on OH suppression may have important implications for the interpretation of past laboratory studies, as applying OH exp measurements acquired under different conditions could lead to over a 1-order-of-magnitude error in the estimated OH exp . The uncertainties of key model outputs due to uncertainty in all rate constants and absorption cross-sections in the model are within ±25 % for OH exposure and within ±60 % for other parameters. These uncertainties are small relative to the dynamic range of outputs. Uncertainty analysis shows that most of the uncertainty is contributed by photolysis rates of O 3 , O 2 , and H 2 O and reactions of OH and HO 2 with themselves or with some abundant species, i.e., O 3 and H 2 O 2 . OH exp calculated from direct integration and estimated from SO 2 decay in the model with laminar and measured residence time distributions (RTDs) are generally within a factor of 2 from the plug-flow OH exp . However, in the models with RTDs, OH exp estimated from SO 2 is systematically lower than directly integrated OH exp in the case of significant SO 2 consumption. We thus recommended using OH exp estimated from the decay of the species under study when possible, to obtain the most appropriate information on photochemical aging in the OFR. Using HO x -recycling vs. destructive external OH reactivity only leads to small changes in OH exp under most conditions. Changing the identity (rate constant) of external OH reactants can result in substantial changes in OH exp due to different reductions in OH suppression as the reactant is consumed. We also report two equations for estimating OH exposure in OFR254. We find that the equation estimating OH exp from measured O 3 consumption performs better than an alternative equation that does not use it, and thus recommend measuring both input and output O 3 concentrations in OFR254 experiments. This study contributes to establishing a firm and systematic understanding of the gas-phase HO x and O x chemistry in these reactors, and enables better experiment planning and interpretation as well as improved design of future reactors.

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

A machine learning approach targeting parameter estimation for plant functional type coexistence modeling using ELM-FATES (v2.0)

Tropical forest dynamics play a crucial role in the global carbon, water, and energy cycles. However, realistically simulating the dynamics of competition and coexistence between different plant functional types (PFTs) in tropical forests remains a significant challenge. This study aims to improve the modeling of PFT coexistence in the Functionally Assembled Terrestrial Ecosystem Simulator (FATES), a vegetation demography model implemented in the Energy Exascale Earth System Model (E3SM) land model (ELM), ELM-FATES. Specifically, we explore (1) whether plant trait relationships established from field measurements can constrain ELM-FATES simulations and (2) whether machine learning (ML)-based surrogate models can emulate the complex ELM-FATES model and optimize parameter selections to improve PFT coexistence modeling. We conducted three ensembles of ELM-FATES experiments at a tropical forest site near Manaus, Brazil. By comparing the ensemble experiments without (Exp-CTR) and with (Exp-OBS) consideration of observed trait relationships, we found that accounting for these relationships slightly improves the simulations of water, energy, and carbon variables when compared to observations but degrades the simulation of PFT coexistence. Using ML-based surrogate models trained on Exp-CTR, we optimized the trait parameters in ELM-FATES and conducted another ensemble of experiments (Exp-ML) with these optimized parameters. The proportion of PFT coexistence experiments significantly increased from 21 % in Exp-CTR to 73 % in Exp-ML. After filtering the experiments that allow for PFT coexistence to agree with observations (within 15 % tolerance), 33 % of the Exp-ML experiments were retained, which is a significant improvement compared to the 1.4 % in Exp-CTR. Exp-ML also accurately reproduces the annual means and seasonal variations in water, energy, and carbon fluxes and the field inventory of aboveground biomass. This study represents a reproducible method that utilizes machine learning to identify parameter values that improve model fidelity against observations and PFT coexistence in vegetation demography models for diverse ecosystems. Our study also suggests the need for new mechanisms to enhance the robust simulation of coexisting plants in ELM-FATES and has significant implications for modeling the response and feedbacks of ecosystem dynamics to climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Measurement of the inclusive electron spectrum from B meson decays and determination of | V u b |

Based on the full BABAR data sample of 466.5 million $B\bar{B}$ pairs, we present measurements of the electron spectrum from semileptonic B meson decays. We fit the inclusive electron spectrum to distinguish Cabibbo-Kobayashi-Maskawa (CKM) suppressed B → X u eν decays from the CKM-favored B → X c eν decays, and from various other backgrounds, and determine the total semileptonic branching fraction B (B → Xeν) = ( 10.34 ± 0.04 stat ± 0.2 6 syst )%, averaged over B ± and B 0 mesons. We determine the spectrum and branching fraction for charmless B → X u eν decays and extract the CKM element | V ub | , by relying on four different QCD calculations based on the heavy quark expansion. While experimentally, the electron momentum region above 2.1 GeV / c is favored, because the background is relatively low, the uncertainties for the theoretical predictions are largest in the region near the kinematic endpoint. Detailed studies to assess the impact of these four predictions on the measurements of the electron spectrum, the branching fraction, and the extraction of the CKM matrix element |V ub | are presented, with the lower limit on the electron momentum varied from 0.8 GeV / c to the kinematic endpoint. We determine |V ub | using each of these different calculations and find, |V ub | = ( 3.794 ± 0.107 exp $+ 0.292\atop{ - 0.219 SF}$ $+ 0.078 \atop{- 0.068 theory}$ ) × 10 - 3 (De Fazio and Neubert), (4.563 ± 0.126 exp $+ 0.230\atop {- 0.208 SF}$ $+ 0.162\atop{- 0.163 theory}$ ) ×10 -3 (Bosch, Lange, Neubert, and Paz), (3.959 ± 0.104 exp $+ 0.164\atop{- 0.154 SF}$ $+ 0.042\atop{ - 0.079 theory}$ ) × 10 -3 (Gambino, Giordano, Ossola, and Uraltsev), (3.848 ± 0.108 exp $+ 0.084\atop{ - 0.070 theory}$) × 10 -3 (dressed gluon exponentiation), where the stated uncertainties refer to the experimental uncertainties of the partial branching fraction measurement, the shape function parameters, and the theoretical calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

New insight into knockout reactions from the two-proton halo nucleus 17 Ne

The unexplained disagreement in the dependence of spectroscopic factors (𝐶2⁢𝑆 exp ) on the binding energy obtained by nucleon knockout using different targets is still a puzzle that needs to be addressed. To find an explanation of this riddle through exclusive measurements using different targets. The exclusive measurements were performed by using a 17 Ne beam with an energy of 500 MeV/u incident on C and CH 2 targets. Through the standard theoretical approach, 𝐶 2⁢ 𝑆 exp were derived from the analysis of the experimental data on proton ejection from the proton halo in 17 Ne as well as from its core 15 O. For the C target, proton ejection from the proton halo gave 𝐶 2 ⁢𝑆 exp about 37% smaller than for the H target. But when protons are ejected from the core of 17 Ne, 𝐶 2 ⁢𝑆 exp are identical within statistical uncertainties. An explanation for the difference in 𝐶 2 ⁢𝑆 exp could be the removal of both halo protons, a more important reaction pathway for the C target. The 𝐶 2 ⁢𝑆 exp values obtained by analyzing the proton ejection from the core indicate that it is not affected by the interaction with the halo protons.

6 ≤ A ≤ 19↗