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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Binding of noble gas atoms by superhalogens

Because of their closed shells, noble gas (Ng) atoms (Ng = Ne, Ar, Kr, and Xe) seldom take part in chemical reactions, yet finding such mechanisms not only is of scientific interest but also has practical significance. Following a recent work by Mayer et al. [Proc. Natl. Acad. Sci. U. S. A. 116, 8167–8172 (2019)] on the room temperature binding of Ar to a superelectrophilic boron site embedded in a negative ion complex, B 12 (CN) 11 - , we have systematically studied the effect of cluster size and terminal ligands on the interaction of Ng by focusing on B 12 X 11 (Ng) (X = H, CN, and BO) and B 12 X 10 (Ng) 2 (X = CN and BO) whose stabilities are governed by the Wade–Mingos rule and on C 5 BX 5 (Ng) (X = H, F, and CN) and C 4 B 2 (CN) 4 (Ng) 2 whose stabilities are governed by the Huckel’s aromaticity rule. Our conclusion, based on density functional theory, is that both the cluster size and the terminal ligands matter—the interaction between the cluster and the Ng atoms becomes stronger with increasing cluster size and the electron affinity of the terminal ligands. Our studies also led to a counter-intuitive finding—removing multiple terminal ligands can enable electrophilic centers to bind multiple Ng atoms simultaneously without compromising their binding strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Using tabulated NLTE data for Hohlraum simulations

Non-local thermodyamic equilibrium (NLTE) atomic kinetics is necessary in inertial confinement fusion Hohlraum simulations for adequately modeling high-Z walls and dopants but is computationally very expensive. We present here an approach for tabulating NLTE material data in an economical manner. Material properties for an arbitrary radiation field are provided through tabulated data for a limited set of radiation fields plus derivatives with respect to components of those radiation fields. We have implemented this method in a radiation-hydrodynamics code and compare Hohlraum simulations done with inline NLTE calculations with those done with tables constructed from the same atomic data. The results demonstrate that NLTE tables can replace inline calculations in Hohlraum simulations without a significant loss of accuracy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Radiation transfer in the spectra of short-pulse laser-heated targets

The conditions in laser-produced plasmas are frequently determined with x-ray spectroscopy by comparing calculated to measured spectra. Line spectra from K-shell transitions of low- to mid-atomic number elements are most often used since the important physical processes are well understood and reliable spectra can be readily measured and calculated. Radiation transfer effects due to large optical depths of strong lines can influence the spectra. In this work, the effects of radiation transfer on the emission spectra of short-laser pulse-heated targets are studied. The possible errors made in inferring electron temperature by not including radiation transfer are quantified. The inclusion of radiative transfer in spectral calculations improves the accuracy of typical temperature diagnostics and allows the use of strong lines for diagnostics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

The cross-section measurement for the 3 H($e, e'K^+)nnΛ$ reaction

The small binding energy of the hypertriton leads to predictions of the non-existence of bound hypernuclei for isotriplet three-body systems such as nnΛ. However, invariant mass spectroscopy at GSI has reported events that may be interpreted as the bound nnΛ state. The nnΛ state was sought by missing-mass spectroscopy via the (e, e'K + ) reaction at Jefferson Lab’s experimental Hall A. The present experiment has higher sensitivity to the nnΛ-state investigation in terms of better precision by a factor of about three. The analysis shown in this article focuses on the derivation of the reaction cross-section for the 3 H(γ*, K + )X reaction. Events that were detected in an acceptance, where a Monte Carlo simulation could reproduce the data well (|δp/p| < 4%), were analyzed to minimize the systematic uncertainty. No significant structures were observed with the acceptance cuts, and the upper limits of the production cross-section of the nnΛ state were obtained to be 21 and $31 nbsr -1 at the 90% confidence level when theoretical predictions of (-B Λ , Γ) = (0.25, 0.8) MeV and (0.55, 4.7) MeV, respectively, were assumed. The cross-section result provides valuable information for examining the existence of nnΛ.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Nonadiabatic Strong-Field Photoionization Revisited

We measure strong field ionization of cesium atoms, observing a robust feature near 2⁢𝑈p in the photoelectron spectrum, which we call the intermediate energy structure (IES). Using a Coulomb-corrected strong-field approximation, we show it arises from electrons born with large inward velocities that rapidly undergo forward scattering off the Coulomb potential. The IES is similar to the previously identified low energy structure in that they are both due to forward scattering. However, it is different in that IES requires both nonadiabatic ionization conditions (as defined by the Keldysh parameter) and a more weakly bound initial state. Furthermore, our joint experimental and theoretical study supports the need for an additional parameter in characterization of strong field ionization, which depends both on nonadiabaticity of the process and the principal quantum number of the target. Together with Reiss and Keldysh parameters, this dimensionless parameter expands the description of strong field ionization across a broad range of atomic targets and incorporates ionization from excited states.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Shot noise and differential conductance as signatures of putative topological superconductivity in FeSe 0.45 ⁢Te 0.55

We present a theory for the differential shot noise, dS/dV, as measured via shot-noise scanning tunneling spectroscopy, and the differential conductance, dI/dV, for tunneling into Majorana zero modes (MZMs) in the putative topological superconductor FeSe 0.45 Te 0.55 . We demonstrate that for tunneling into chiral Majorana edge modes near domain walls, as well as MZMs localized in vortex cores and at the end of defect lines, dS/dV vanishes whenever dI/dV reaches a quantized value proportional to the quantum of conductance. Furthermore, these results are independent of the particular orbital tunneling path, thus establishing a vanishing dS/dV concomitant with a quantized dI/dV, as universal signatures for Majorana modes in two-dimensional topological superconductors, irrespective of the material’s specific complex electronic band structure.

Iron-based superconductors↗