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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 757 records · Page 42

Catalyst carbonylation: a hidden, but essential, step in reaction initiation

The proliferation of increasingly useful reactions for hydrogen transfer in organic synthesis has included the introduction of many new homogeneous catalysts into the organic synthesis lexicon. Unlike the proliferation of palladium-based cross-coupling reactions in which the mechanism is generally conserved, we are learning that these emerging hydrogen transfer catalysts have a rich diversity of mechanisms for catalyst activation, speciation, C–H bond cleavage and formation, and ultimately deactivation. We find that an underappreciated commonality in the catalytic activation for some of these systems is the generation of a (carbonyl)metal group, which dominates the downstream speciation of the catalyst system. In this mini-review we highlight a few well-documented cases of this phenomenon as food for thought for those who are designing new catalytic systems to introduce into this dynamic and impactful area.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Strong field ionization and dissociation dynamics of vinyl bromide (C 2 H 3 Br) initiated by few-cycle pulses

Photoelectron-photoion (PEPICO) and photoion-photoion (PIPICO) coincidence measurements, coupled with a few-cycle intense laser field, were employed to investigate strong field ionization/dissociation dynamics of vinyl bromide (C₂H₃Br). The angular streaking technique was used to map the recoil-frame angle-dependent ionization rates to identify ionizing orbitals. Dissociative single ionization was mainly attributed to ionizing the lower lying molecular orbitals, suggesting that direct ionization dominates with few-cycle pulses. Three dissociative double ionization channels, both prompt and delayed fragmentation, were identified. Theoretical analysis using time-dependent configuration interaction with complex absorbing potential (TDCI-CAP) and high-level electronic structure methods was performed to elucidate the underlying ionization and dissociation mechanisms.

Olowolafe, Temitayo A. [Wayne State University, De↗

Sensitivity of back‐projection algorithm (BPA) synthetic aperture radar (SAR) image formation to initial position, velocity, and attitude navigation errors

Abstract The Back‐Projection Algorithm (BPA) is a time‐domain‐matched filtering technique to form synthetic aperture radar (SAR) images. To produce high‐quality BPA images, precise navigation data for the radar platform must be known. Errors in position, velocity, or attitude result in improperly formed images that are corrupted by shifting and blurring. The contribution of this paper is the development of analytical expressions that characterise the relationship between navigation errors and image formation errors from an inertial navigation point of view, where trajectory estimation errors in position, velocity, and attitude propagate through time and cause compounding errors in the vehicle state vector. These analytical expressions are verified via simulated image formation and real‐data image formation.

Lindstrom, Colton↗

Simulating Charm Quarks in IP-Glasma Initial Stage and Quark-Gluon Plasma: A Hybrid Approach for charm quark phenomenology

We present phenomenological findings on charm quark transport while including its energy loss in both pre-equilibrium and hydrodynamic stages of the evolution. We employed the MARTINI event generator for the production and evolution of heavy quarks in the relativistic heavy-ion collisions. The sensitivity of the heavy meson nuclear modification factor and flow coeffcient to the early stage of heavy-ion collisions and bulk medium evolution is analyzed for Pb+Pb collisions at 5.02 TeV. Our study provides insights into the interaction strength of charm quarks during the early phase and within the quark-gluon plasma.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Effects of initial conditions and transport on ram pressure, Mach number, and uniformity for plasma liner formation and implosion

Plasma jet driven magneto-inertial fusion involves the merging of high Mach number plasma jets in a spherically converging geometry to form an imploding plasma liner. A three-dimensional smooth particle hydrodynamic simulation tool was used to study the number of plasma jets, jet density, and implosion velocity on the effects of formation and subsequent implosion of a plasma liner. The effects of different transport physics are presented. Thermal radiation and two-temperature modeling were found to have the most significant impact on the ram pressure. Solid angle averaged ram pressure and Mach number degradation were of particular interest in this study. Higher jet numbers were found to result in higher peak ram pressure. A spherical harmonic analysis was conducted for each case, providing a quantitative measure of the non-uniformity of the liner during the implosion process and how non-uniformities are affected by the different parameters explored in this study.

Schillo, Kevin↗

Contribution of cryogenic thermal cycling to the atomic dynamics in a La-based bulk metallic glass with different initial states

Structural rejuvenation in metallic glasses (MGs) induced by cryogenic thermal cycling has been intensively studied. However, the effect of thermal cycling on the atomic dynamics in MGs is still missing. In this work, we present a systematic study on the atomic dynamics in a La-based MG affected by sub-Tg annealing and thermal cycling. We find that the thermal cycling has little effect on the atomic dynamics in both as-cast and annealed MGs although it could significantly increase the free volume and change mechanical properties of the as-cast MG sample. In contrast, both the structure and mechanical properties of the well-relaxed sample are almost unchanged by thermal cycling. Further, the increased open volume, mainly in the form of atomic vacancies, does not greatly promote the atomic dynamics in the as-cast MG sample, indicating that the free volume induced by thermal cycling is not the key factor in stimulating the β-relaxation and the boson peak in the studied MG.

36 MATERIALS SCIENCE↗

Two-photon polymerization printed lattices as support structures in multi-shell ICF targets: Platform development and initial assessment

Recent interest in fielding direct drive multi-shell targets on the NIF [K. Molvig et al., Phys. Rev. Lett. 116, 255003 (2016) and S. X. Hu et al., Phys. Rev. E 100, 063204 (2019)] has highlighted the need for a low density structure to support the inner shell(s) and to avoid energy loss in the acceleration and collision process. We have developed a two-shell platform to evaluate the use of low density two-photon polymerization (2PP) printed lattices as a support structure between the shells. Here, 2PP structures are an attractive option because they can be produced at densities as low as 5 mg/cc, which is ideal for multi-shell targets, and their 3D structure can be tailored to the user's needs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

First measurement of the 10B(α,n)13N reaction in an inertial confinement fusion implosion at the National Ignition Facility: Initial steps toward the development of a radiochemistry mix diagnostic

We report the first measurement of the 10B(α,n)13N reaction in a polar-direct-drive exploding pusher (PDXP) at the National Ignition Facility (NIF). This work is motivated by the need to develop alternative mix diagnostics, radiochemistry being the focus here. The target is composed of a 65/35 at. % deuterium–tritium (DT) fill surrounded by a roughly 30 μm thick beryllium ablator. The inner portion of the beryllium ablator is doped with 10 at. % of 10B. Radiation-hydrodynamics calculations were performed in 1D to optimize both the remaining boron rho-R and the DT neutron yield. A charged-particle transport post-processor has been developed to study α-induced reactions on the ablator material. Results indicate a large 13N production from α-induced reactions on 10B, measurable by the radiochemical analysis of a gaseous samples system at the NIF. The PDXP target N201115-001 was successfully fielded on the NIF, and nitrogen from the 10B(α,n)13N reaction was measured. The 13N production yield, as well as the DT neutron yield, was, however, lower than expected. Some of the reduced yields can be explained by the oblate shape, but the ratios of the various radiochemical signals are not commensurate with expectations based on a simple reduction of the 1D results. Preliminary 2D radiation-hydrodynamics computations are consistent with the experimental measurements, and work is ongoing to extend the radiochemistry analysis into higher dimensions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On the initiation and evolution of dielectric breakdown in auto-magnetizing liner experiments

Auto-magnetizing (AutoMag) liners are cylindrical tubes composed of discrete metallic helices encapsulated in insulating material; when driven with a ~2 MA, ~100-ns prepulse on the 20 MA, 100-ns rise time Z accelerator, AutoMag targets produced >150 T internal axial magnetic fields. Once the current rise rate of the pulsed power driver reaches sufficient magnitude, the induced electric fields in the liner cause dielectric breakdown of the insulator material and, with sufficient current, the cylindrical target radially implodes. The dielectric breakdown process of the insulating material in AutoMag liners has been studied in experiments on the 500–900 kA, ~100-ns rise time Mykonos accelerator. Multi-frame gated imaging enabled the first time-resolved observations of photoemission from dynamically evolving plasma distributions during the breakdown process in AutoMag targets. Using magnetohydrodynamic simulations, we calculate the induced electric field distribution and provide a detailed comparison to the experimental data. We find that breakdown in AutoMag targets does not primarily depend on the induced electric field in the gaps between conductive helices as previously thought. Finally, to better control the dielectric breakdown time, a 12–32 mJ, 170 ps ultraviolet (λ = 266 nm) laser was implemented to irradiate the outer surface of AutoMag targets to promote breakdown in a controlled manner at a lower internal axial field. Here, the laser had an observable effect on the time of breakdown and subsequent plasma evolution, indicating that pulsed UV lasers can be used to control breakdown timing in AutoMag.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Compressible Rayleigh–Taylor instability subject to isochoric initial background state

The effect of compressibility on the single-mode Rayleigh–Taylor instability is examined using two (2D) and three-dimensional (3D) direct numerical simulations. To isolate compressibility from background stratification effects, this work employs a constant density profile on each side of the interface. The numerical simulations are performed at various Reynolds numbers using the gas kinetic method for static Mach numbers up to M = 0.4. The most important finding is that compressibility acting in isolation enhances the instability and perturbations grows faster with increasing Mach number, unlike previous results with background isothermal state, which show suppression of the instability at higher static Mach numbers. In addition, compressibility is also shown to increase the bubble-spike asymmetry. While the instability grows faster for the 3D case, the findings are qualitatively similar in 2D and 3D. Furthermore, the dynamical reasons underlying the effect of compressibility are elucidated by examining the evolution of vorticity and turbulent kinetic energy transport equations.

42 ENGINEERING↗