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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Measurement of Charge Transfer Rate Coefficient Between Ground-State N(2+) Ion and He at Electron-Volt Energies

The charge transfer rate coefficient for the reaction N(2+)(2p(sup 2)P(sup 0)) + He yields products is measured by recording the time dependence of the N(2+) ions stored in an ion trap. A cylindrical radio-frequency ion trap was used to store N(2+) ions produced by laser ablation of a solid titanium nitride target. The decay of the ion signals was analyzed by single exponential least-squares fits to the data. The measured rate coefficient is 8.67(0.76) x 10(exp -11)sq cm/s. The N(2+) ions were at a mean energy of 2.7 eV while He gas was at room temperature, corresponding to an equivalent temperature of 3.9 x 10(exp 3) K. The measured value is in good agreement with a recent calculation.

Fang, Z.↗
NASA NTRS1997

Charge Transfer Between Ground-State N(2+) and H2, N2, and CO at Electron-Volt Energies

The charge-transfer rate coefficients for reactions of N(2+)(2 S(sup 2)2p(sup 2)P(sup 0)) with H2, N2, and CO are measured using ion storage. A cylindrical rf ion trap was used to store N(2+) ions produced by laser ablation of a solid titanium nitride target. The rate coefficients were derived from the decay rate of the ion signal. The rate coefficients for the above three reactions are 3.38(0.35) x 10(exp -11)sq sm/s at T(sub equiv.)=2.9 x 10(exp 3) K, 2.10(0.18) x 10(exp -9)sq sm/s at T(sub equiv.) = 1.3 x 10(exp 4) K, and 3.37(0.29) x 10(exp -9)sq cm/s at T(sub equiv.) = 1.3 x 10(exp 4) K, respectively. No theoretical or other experimental values are available at this energy range.

Fang, Z.↗
NASA NTRS1959

Interactions Between Ground-State Nitrogen Atoms and Molecules

Potential-energy curves for nitrogen atom (N-N) interactions corresponding to the X (1)Sigma(sup +, sub g), A (3)Sigma(sup +, sub u), (5)Sigma(sup +, sub g), (7)Sigma(sup +, sub u), B (3) Pi(sub g), C (3)(Pi(su u)and a (1)Pi(sub g) states of the nitrogen molecule N2 as well as curves for the atom-molecules (N-N2) and molecule-molecule (N2-N2) interactions have been calculated. All calculations have been based as nearly as possible on experimental data, including spectroscopically determined vibrational energy levels, scattering cross sections of atomic beams in gases, and measured vibrational relaxation times. In cases where experimental data were not available, approximate quantum-mechanical calculations have been made. Results obtained by these various methods are remarkably consistent with one another and are believed to have good accuracy.

Vanderslice, Joseph T.↗
NASA NTRS1994

Global Dipole Moment Function for the X1 Sigma+ Ground State of CO

We have studied the dipole moment function (DMF) for the X(sup 1)Sigma(sup +) state of CO as a function of the completeness of the one- and n-particle treatments. Our best DMF is obtained using an augmented correlation-consistent quadruple-zeta basis set with external correlation included using the averaged-coupled-pair functional (ACPF) approach from a complete-active-space self-consistent-field zeroth-order reference. The DMF evaluated using the finite-field approach is in far better agreement with the experimentally deduced DMF than all previous theoretical determinations, but systematic differences still remain in the DMF at larger internuclear distances that give rise to significant discrepancies between the theoretical and experimental Einstein coefficients for transitions involving vibrational quantum numbers above about Upsilon=15.

Langhoff, Stephen R.↗
DOE OSTI2020

β Decay of 61 V and its Role in Cooling Accreted Neutron Star Crusts

The interpretation of observations of cooling neutron star crusts in quasipersistent x-ray transients is affected by predictions of the strength of neutrino cooling via crust Urca processes. The strength of crust Urca neutrino cooling depends sensitively on the electron-capture and β -decay ground-state-to-ground-state transition strengths of neutron-rich rare isotopes. Nuclei with a mass number of A = 61 are predicted to be among the most abundant in accreted crusts, and the last remaining experimentally undetermined ground-state-to-ground-state transition strength was the β decay of 61 V. This Letter reports the first experimental determination of this transition strength, a ground-state branching of $8.1^{+4.0}_{- 3.1}%$, corresponding to a log ft value of $5.5^{+0.2}_{-0.2}$. This result was achieved through the measurement of the β -delayed γ rays using the total absorption spectrometer SuN and the measurement of the β -delayed neutron branch using the neutron long counter system NERO at the National Superconducting Cyclotron Laboratory at Michigan State University. This method helps to mitigate the impact of the pandemonium effect in extremely neutron-rich nuclei on experimental results. The result implies that A = 61 nuclei do not provide the strongest cooling in accreted neutron star crusts as expected by some predictions, but that their cooling is still larger compared to most other mass numbers. Finally, only nuclei with mass numbers 31, 33, and 55 are predicted to be cooling more strongly. However, the theoretical predictions for the transition strengths of these nuclei are not consistently accurate enough to draw conclusions on crust cooling. With the experimental approach developed in this work, all relevant transitions are within reach to be studied in the future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Development of a new quantum trajectory molecular dynamics framework

An extension to the wave packet description of quantum plasmas is presented, where the wave packet can be elongated in arbitrary directions. A generalized Ewald summation is constructed for the wave packet models accounting for long-range Coulomb interactions and fermionic effects are approximated by purpose-built Pauli potentials, self-consistent with the wave packets used. We demonstrate its numerical implementation with good parallel support and close to linear scaling in particle number, used for comparisons with the more common wave packet employing isotropic states. Ground state and thermal properties are compared between the models with differences occurring primarily in the electronic subsystem. Especially, the electrical conductivity of dense hydrogen is investigated where a 15% increase in DC conductivity can be seen in our wave packet model compared with other models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Branching ratios for the three most intense gamma rays in the decay of 47 Ca

A sample of 47 Ca produced through isotope harvesting at the National Superconducting Cyclotron Laboratory was used to measure branching ratios of 7.17(5)%, 7.11(5)%, and 75.0(5)% for the 489.2, 807.9, and 1297.1 keV characteristic gamma rays, respectively. Based on these updated branching ratios, the ground state to ground state 47 Ca to 47 Sc beta decay branching ratio has been indirectly measured as 17.7(5)% and the ground state to 1297.1 keV excited state as 82.2(5)%. Here these values represent a greatly increased precision for all five branching ratios compared to the currently accepted values. The measurements presented here were made relative to the ingrown 47Sc daughter in a 47 Ca sample and the well-established 159.4 keV gamma-ray branching ratio and the half-life for the decay of 47 Sc. These measurements were supported by verifying that the half-lives measured from characteristic gamma-ray peaks over multiple spectra for both 47 Ca and 47 Sc were consistent with previously reported values. Additionally, the half-lives of both 47 Ca and 47 Sc were independently measured with Liquid Scintillation Counting to reverify the previously reported values used in this study to find updated gamma-ray branching ratio values.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Optimization of the generator coordinate method with machine-learning techniques for nuclear spectra and neutrinoless double- β decay: Ridge regression for nuclei with axial deformation

The generator coordinate method (GCM) is an important tool of choice for modeling large-amplitude collective motion in atomic nuclei. The computational complexity of the GCM increases rapidly with the number of collective coordinates. It imposes a strong restriction on the applicability of the method. In this work, we propose a subspace-reduction algorithm that employs optimal statistical ML models as surrogates for exact quantum-number projection calculations for norm and Hamiltonian kernels. The model space of the original GCM is reduced to a subspace relevant for nuclear low energy spectra and the NME of ground state to ground state 0νββ decay based on the orthogonality condition (OC) and the energy-transition-orthogonality procedure (ENTROP), respectively. For simplicity, the polynomial ridge regression (RR) algorithm is used to learn the norm and Hamiltonian kernels of axially deformed configurations. The efficiency and accuracy of this algorithm are illustrated for 76 Ge and 76 Se by comparing results obtained using the optimal RR models to direct GCM calculations. The low-lying energy spectra of 76 Ge and 76 Se, as well as the 0νββ-decay NME between their ground states, are computed. Furthermore, the results show that the performance of the GCM+OC/ENTROP+RR is more robust than that of the GCM+RR alone, and the former can reproduce the results of the original GCM calculation accurately with a significantly reduced computational cost.

59 ≤ A ≤ 89↗
DOE OSTI2024

A molecular ground electronic state with an occupied 5g spinor—The superheavy (E125)F molecule

Fully relativistic calculations, primarily at the 4-component coupled-cluster singles and doubles with perturbative triples [CCSD(T)] level of theory with the Dirac–Coulomb (DC) Hamiltonian, have been carried out for the superheavy (E125)F molecule using large Gaussian basis sets. The electronic ground state is determined to have an [Og]8s 2 5g 1 6f 3 configuration on E125 with an Ω = 6 ground state and an 8p electron largely donated to F. A Mulliken population analysis indicates that the ground state is mainly ionic with a partial charge of +0.79 on E125 and a single sigma bond involving the F 2p and E125 8p spinors. The occupied g spinor is not involved in the bonding. With the largest basis set used in this work, the (0 K) dissociation energy was calculated at the DC-CCSD(T) level of theory to be 7.02 eV. Analogous calculations were also carried out for the E125 atom, both the neutral and its cation. The lowest energy electron configuration of E125 + , [Og]$8s$$^{2}_{1/2}$$5g$$^{1}_{7/2}$$6f$$^{3}_{5/2}$ with a J = 6 ground state, was found to be similar to that in (E125)F, while the neutral E125 atom has an [Og]$8s$$^{2}_{1/2}$$5g$$^{1}_{7/2}$$6f$$^{2}_{5/2}$$7d$$^{1}_{3/2}$$8p$$^{1}_{1/2}$ ground state electron configuration with a J = 17/2 ground state. The ionization energy (IE) of E125 is reported for the first time and is calculated to be 4.70 eV at the DC-CCSD(T) level of theory. Non-relativistic calculations were also carried out on the E125 atom and the (E125)F molecule. Here, the non-relativistic ground state of the E125 atom was calculated to have a 5g 5 ground state with an IE of just 3.4 eV. The net effect of relativity on (E125)F is to stabilize its bonding.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Deciphering Nb 98 β decay with the Modular Total Absorption Spectrometer at ORNL

An assessment done under the auspices of the Organization for Economic Co-operation and Developement Nuclear Energy Agency (OECD-NEA) in 2007 suggested that the β decays of many abundantly produced fission products in nuclear reactors may be incomplete. In this assessment, the fission product 98 Nb was assigned the highest priority for study by total absorption spectroscopy due to its large cumulative fission branching fraction and because the β-decay data from several experiments are discrepant. To obtain the complete β-decay feeding pattern of 98 Nb and determine the impact on the average γ energy per 98 Nb β decay and v¯e emission calculations. The complete 98 Nb β-decay feeding pattern includes ground-state to ground-state β feeding and direct β feeding to the 0 + first-excited state (both have no associated γ rays), and the ground-state to excited-state β transitions followed by γ transitions to the ground state of the daughter nucleus, 98 Mo. The complete β-decay intensities of 98 Nb were measured with the Modular Total Absorption Spectrometer at Oak Ridge National Laboratory (ORNL). Here, the 98 Nb was produced by the β decay of mass 98 fission fragments at ORNL's On-Line Test Facility (OLTF) using proton-induced fission of 238 U. We find that changes to the current ENSDF assessment of 98 Nb β-decay intensity are required. We report improved uncertainties for the β-decay feeding values and report new β feedings to high-energy levels in 98 Mo. A more complete 98 Nb β-feeding pattern with improved accuracy and precision is offered. The impacts of the measured changes to the 98 Nb β-feeding pattern on both reactor decay heat calculations and predicted detection rates of reactor v¯e are presented. The Modular Total Absorption Spectrometer measurements of 98 Nb demonstrate the importance of reexamining and remeasuring complex β-decaying fission products with total absorption spectroscopy, including nuclei very near β stability.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Solving the Puzzles of the Decay of the Heaviest Known Proton-Emitting Nucleus 185 Bi

Two long-standing puzzles in the decay of 185 Bi, the heaviest known proton-emitting nucleus are revisited. These are the non-observation of the 9/2 – state, which is the ground state of all heavier odd-A Bi isotopes, and the hindered nature of proton and α decays of its presumed 60-μs 1/2 + ground state. The 185 Bi nucleus has now been studied with the 95 Mo( 93 Nb; 3n) reaction in complementary experiments using the Fragment Mass Analyzer and Argonne Gas-Filled Analyzer at Argonne National Laboratory’s ATLAS facility. The experiments have established the existence of two states in 185 Bi; the short-lived T 1/2 = $2.8$$^{+2.3}_{–1.0}$ μs, proton- and α-decaying ground state, and a 58(2)–μs γ-decaying isomer, the half-life of which was previously attributed to the ground state. The reassignment of the ground-state lifetime results in a proton-decay spectroscopic factor close to unity and represents the only known example of a ground-state proton decay to a daughter nucleus ( 184 Pb) with a major shell closure. Furthermore, the data also demonstrate that the ordering of low- and high-spin states in 185 Bi is reversed relative to the heavier odd-A Bi isotopes, with the intruder-based 1/2 + configuration becoming the ground state, similar to the lightest At nuclides.

150 ≤ A ≤ 189↗
DOE OSTI2020

Enhancement of α -particle formation near Sn 100

The superfluid tunneling model is applied to the calculation of ground-state-to-ground-state α decay in the even-even neutron-deficient Te-Ba nuclei. Here, we show that there is a larger α-particle formation probability in nuclei of this region above 100 Sn when compared to analogous nuclei above 208 Pb. This is consistent with the expected systematic variation of the pair gap Δ as a function of mass number. Finally, the recent experimental data on the α decay of the N=Z nuclei 104 Te and 108 Xe are shown to leave open the possibility of enhanced α-particle formation involving nucleon correlations beyond the standard treatment of like-nucleon pairing, which is the mechanism suggested as underlying "superallowed" α decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Ab initio studies of the double–Gamow-Teller transition and its correlation with neutrinoless double- β decay

Here, we use chiral interactions and several ab initio methods to compute the nuclear matrix elements (NMEs) for ground-state-to-ground-state double Gamow-Teller transitions in a range of isotopes and explore the correlation of these NMEs with those for neutrinoless double beta decay produced by the exchange of a light Majorana neutrino. When all the NMEs of both isospin-conserving and isospin-changing transitions from the ab initio calculations are considered, the correlation is strong. For the experimentally relevant isospin-changing transitions by themselves, however, the correlation is weaker and may not be helpful for reducing the uncertainty in the NMEs for neutrinoless double beta decay.

20 ≤ A ≤ 38↗
DOE OSTI2022

Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported “first row anomaly” in XH n (X = C, Si, Ge, Sn; n = 1–4)

We present a new, novel implementation of the Many-Body Expansion (MBE) to account for the breaking of covalent bonds, thus extending the range of applications from its previous popular usage in the breaking of hydrogen bonds in clusters to molecules. A central concept of the new implementation is the in situ atomic electronic state of an atom in a molecule that casts the one-body term as the energy required to promote it to that state from its ground state. The rest of the terms correspond to the individual diatomic, triatomic, etc., fragments. Its application to the atomization energies of the XH n series, X = C, Si, Ge, Sn and n = 1–4, suggests that the (negative, stabilizing) 2-B is by far the largest term in the MBE with the higher order terms oscillating between positive and negative values and decreasing dramatically in size with increasing rank of the expansion. The analysis offers an alternative explanation for the purported “first row anomaly” in the incremental H n–1 X–H bond energies seen when these energies are evaluated with respect to the lowest energy among the states of the XH n molecules. Due to the “flipping” of the ground/first excited state between CH 2 ( 3 B 1 ground state, 1 A 1 first excited state) and XH 2 , X = Si, Ge, Sn ( 1 A 1 ground state, 3 B 1 first excited state), the overall picture does not exhibit a “first row anomaly” when the incremental bond energies are evaluated with respect to the molecular states having the same in situ atomic states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗