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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 901 records · Page 50

Charge transfer driven by ultrafast spin transition in a CoFe Prussian blue analogue

Photoinduced charge-transfer is an important process in nature and technology and is responsible for the emergence of exotic functionalities, such as magnetic order for cyanide-bridged bimetallic coordination networks. Despite its broad interest and intensive developments in chemistry and material sciences, the atomic-scale description of the initial photoinduced process, which couples intermetallic charge-transfer and spin transition, has been debated for decades; it has been beyond reach due to its extreme speed. In this work we study this process in a prototype cyanide-bridged CoFe system by femtosecond X-ray and optical absorption spectroscopies, enabling the disentanglement of ultrafast electronic and structural dynamics. Our results demonstrate that it is the spin transition that occurs first on the Co site within ~50 fs, and it is this that drives the subsequent Fe-to-Co charge-transfer within ~200 fs. This study represents a step towards understanding and controlling charge-transfer-based functions using light.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental study on the role of the target electron temperature as a key parameter linking recycling to plasma performance in JET-ILW*

Changes in global and edge plasma parameters (H98(y,2), dimensionless collisionality ν*, core density peaking, separatrix density ne,sep) with variations in the D2 fueling rate and divertor configuration are unified into a single trend when mapped to $\langle$Te,ot$\rangle$, the spatially averaged spectroscopically derived outer target electron temperature. Dedicated JET with the ITER-like wall (JET-ILW) experiments in combination with an extended JET-ILW database of unseeded low-triangularity H-mode plasmas spanning a wide range of D2 fueling rates, Ip, Bt and heating power have demonstrated the importance of $\langle$Te,ot$\rangle$ as a key physics parameter linking the recycling particle source and detachment with plasma performance. The remarkably robust H98(y,2) trend with $\langle$Te,ot$\rangle$ is connected to a strong inverse correlation between $\langle$Te,ot$\rangle$, ne,sep and ν*, thus directly linking changes in the divertor recycling moderated by $\langle$Te,ot$\rangle$ with the previously established relationship between ν*, core density peaking and core pressure resulting in a degradation in core plasma performance with decreasing $\langle$Te,ot$\rangle$ (increasing ν*). Additionally, a strong inverse correlation between the separatrix to pedestal density ratio, ne,sep/ne,ped, and $\langle$Te,ot$\rangle$ is also established, with the rise in ne,sep/ne,ped saturating at $\langle$Te,ot$\rangle$ > 10 eV. A strong reduction in H98(y,2) is observed as $\langle$Te,ot$\rangle$ is driven from 30 to 10 eV via additional D2 gas fueling, while the divertor remains attached. Consequently, the pronounced performance degradation in attached divertor conditions has implications for impurity seeding radiative divertor scenarios, in which H98(y,2) is already low (~0.7) before impurities are injected into the plasma since moderate gas fueling rates are required to promote high divertor neutral pressure. A favorable pedestal pressure, pe,ped, dependence on Ip has also been observed, with an overall increase in pe,ped at Ip = 3.4 MA as $\langle$Te,ot$\rangle$ is driven down from attached to high-recycling divertor conditions. In contrast, pe,ped is reduced with decreasing $\langle$Te,ot$\rangle$ in the lower Ip branches. Further work is needed to (i) clarify the potential role of edge opacity on the observed favorable pedestal pressure Ip scaling; as well as to (ii) project the global and edge plasma performance trends with $\langle$Te,ot$\rangle$ to reactor-scale devices to improve predictive capability of the coupling between recycling and confined plasma fueling in what are foreseen to be more opaque edge plasma conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Generalizing Similarity Laws for Radio-Frequency Discharge Plasmas across Nonlinear Transition Regimes

We generalize similarity theory based on the scaling and solution invariance of the Boltzmann equation, coupled with the Poisson equation, and demonstrate similarity laws for radio-frequency (rf) discharge plasmas across three nonlinear transitional regimes, namely, the alpha-gamma mode transition, the stochastic-Ohmic-heating mode transition, and the bounce-resonance-heating mode transition. Fundamental plasma parameters, e.g., the electron power absorption, under similar discharge conditions are examined via fully kinetic particle-in-cell simulations, and electron-kinetic invariance is exemplified in similar rf discharge plasmas. The results unambiguously confirm the applicability of similarity laws for rf plasmas in extended operating regimes, and strengthen the foundations and framework of similarity physics with universality.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ultrafast Enhancement of Ferromagnetic Spin Exchange Induced by Ligand-to-Metal Charge Transfer

Here, we theoretically predict and experimentally demonstrate a nonthermal pathway to optically enhance superexchange interaction energies in a material based on exciting ligand-to-metal charge-transfer transitions, which introduces lower-order virtual hopping contributions that are absent in the ground state. We demonstrate this effect in the layered ferromagnetic insulator CrSiTe 3 by exciting Te-to-Cr charge-transfer transitions using ultrashort laser pulses and detecting coherent phonon oscillations that are impulsively generated by superexchange enhancement via magneto-elastic coupling. This mechanism kicks in below the temperature scale where short-range in-plane spin correlations begin to develop and disappears when the excitation energy is tuned away from the charge-transfer resonance, consistent with our predictions.

36 MATERIALS SCIENCE↗

Role of locally polar regions in the superconductivity of SrTiO 3

Understanding the interaction between polar and superconducting order parameters may hold the key to several classes of superconductors that remain poorly understood, including SrTiO 3 and several tellurides. Here we show that doped, strained SrTiO 3 films can exhibit both global or local polar order, respectively, depending on the amount of epitaxial mismatch strain, thereby providing a platform to understand how inversion symmetry breaking affects superconductivity. We find that the superconducting critical temperature correlates with the length scale of polar order. In particular, the transition temperature is enhanced when polar nanodomains are sufficiently large or, in the extreme limit, films are globally ferroelectric. In these cases, the Cooper pairs reside in a noncentrosymmetric environment. Conversely, low transition temperatures are found when the nanodomains are small. The findings point to the length scale of polar nanodomains and spin-orbit coupling as important parameters controlling the superconductivity of SrTiO 3 . Furthermore, the ability to control the size of the polar domains opens up new opportunities to design and control the nature of superconductivity in a wide range of materials.

36 MATERIALS SCIENCE↗

Flipped SU(5) GUT phenomenology: proton decay and $\mathbf {g_\mu - 2}$

We consider proton decay and $\mathbf {g_\mu - 2}$ in flipped SU(5) GUT models. We first study scenarios in which the soft supersymmetry-breaking parameters are constrained to be universal at some high scale M in above the standard GUT scale where the QCD and electroweak SU(2) couplings unify. In this case the proton lifetime is typically > rsim10 36 years, too long to be detected in the foreseeable future, and the supersymmetric contribution to $\mathbf {g_\mu - 2}$ is too small to contribute significantly to resolving the discrepancy between the experimental measurement and data-driven calculations within the Standard Model. However, we identify a region of the constrained flipped SU(5) parameter space with large couplings between the 10- and 5-dimensional GUT Higgs representations where p → e + π 0 decay may be detectable in the Hyper-Kamiokande experiment now under construction, though the contribution to $\mathbf {g_\mu - 2}$ is still small. A substantial contribution to $\mathbf {g_\mu - 2}$ is possible, however, if the universality constraints on the soft supersymmetry-breaking masses are relaxed. We find a ‘quadrifecta’ region where observable proton decay co-exists with a (partial) supersymmetric resolution of the $\mathbf {g_\mu - 2}$ discrepancy and acceptable values of m h and the relic LSP density.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Multi-domain automated patterning of DNA-functionalized hydrogels

DNA-functionalized hydrogels are capable of sensing oligonucleotides, proteins, and small molecules, and specific DNA sequences sensed in the hydrogels’ environment can induce changes in these hydrogels’ shape and fluorescence. Fabricating DNA-functionalized hydrogel architectures with multiple domains could make it possible to sense multiple molecules and undergo more complicated macroscopic changes, such as changing fluorescence or changing the shapes of regions of the hydrogel architecture. However, automatically fabricating multi-domain DNA-functionalized hydrogel architectures, capable of enabling the construction of hydrogel architectures with tens to hundreds of different domains, presents a significant challenge. We describe a platform for fabricating multi-domain DNA-functionalized hydrogels automatically at the micron scale, where reaction and diffusion processes can be coupled to program material behavior. Using this platform, the hydrogels’ material properties, such as shape and fluorescence, can be programmed, and the fabricated hydrogels can sense their environment. DNA-functionalized hydrogel architectures with domain sizes as small as 10 microns and with up to 4 different types of domains can be automatically fabricated using ink volumes as low as 50 μL. We also demonstrate that hydrogels fabricated using this platform exhibit responses similar to those of DNA-functionalized hydrogels fabricated using other methods by demonstrating that DNA sequences can hybridize within them and that they can undergo DNA sequence-induced shape change.

Rubanov, Moshe (ORCID:0000000180507407)↗

Experiments at TA-55 have used optical pyrometry to measure temperatures of shocked plutonium on the 40mm gun

Researchers at LANL, along with collaborators from MSTS, have worked for more than a decade to develop and implement an optical pyrometry method to measure the temperature of metals shocked to the high pressures and temperatures. Because traditional shock wave measurements only provide information on the mechanical state of the material, temperature measurements are required to validate and improve equation-of-state (EOS) models for materials. The conditions sampled are complex; commenserate with those found in planetary impacts, and accressed by conventional and nuclear weapons. Optical pyrometry is currently the best available method for inferring the temperature of shocked metals, by careful measurement of the calibrated radiance emitted by a surface at finite temperature. These measurements are difficult often complicated by the short time scales associated with shock wave experiments (<1 µs) coupled with the many sources of non-thermal light (impact flash, fracture light, etc.) that pollutes the radiant light measured from the sample.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

304L Can Crush Validation Studies

Accurate prediction of ductile behavior of structural alloys up to and including failure is essential in component or system failure assessment, which is necessary for nuclear weapons alteration and life extensions programs of Sandia National Laboratories. Modeling such behavior requires computational capabilities to robustly capture strong nonlinearities (geometric and material), rate- dependent and temperature-dependent properties, and ductile failure mechanisms. This study's objective is to validate numerical simulations of a high-deformation crush of a stainless steel can. The process consists of identifying a suitable can geometry and loading conditions, conducting the laboratory testing, developing a high-quality Sierra/SM simulation, and then drawing comparisons between model and measurement to assess the fitness of the simulation in regards to material model (plasticity), finite element model construction, and failure model. Following previous material model calibration, a J 2 plasticity model with a microstructural BCJ failure model is employed to model the test specimen made of 304L stainless steel. Simulated results are verified and validated through mesh and mass-scaling convergence studies, parameter sensitivity studies, and a comparison to experimental data. The converged mesh and degree of mass-scaling are the mesh discretization with 140,372 elements, and a mass scaling with a target time increment of 1.0e-6 seconds and time step scale factor of 0.5, respectively. Results from the coupled thermal-mechanical explicit dynamic analysis are comparable to the experimental data. Simulated global force vs displacement (F/D) response predicts key points such as yield, ultimate, and kinks of the experimental F/D response. Furthermore, the final deformed shape of the can and field data predicted from the analysis are similar to that of the deformed can, as measured by 3D optical CMM scans and DIC data from the experiment.

36 MATERIALS SCIENCE↗

Runtime Systems for Energy Efficiency in Advanced Computing Systems

As heterogeneous systems become increasingly popular for both mobile and high-performance computing, conventional efficiency techniques such as dynamic voltage and frequency scaling (DVFS) fail to account for the tightly coupled and varied nature of systems on a chip (SoCs). In this work, we explore the impact of system unaware DVFS techniques on a mobile SoC under three benchmark suites: Chai, Rodinia, and Antutu. We then analyze performance trends across the suites to identify a set of consistent operating points that optimally balance power and performance across the system. The consistent operating points are then constructed into a dependency graph which can be leveraged to produce a more effective, SoC-wide governor.

97 MATHEMATICS AND COMPUTING↗

Electric Vehicle Infrastructure Consequence Assessment

With consumers’ growing interest in electric vehicles, extreme fast charging stations are poised to provide high-power charging to rapidly recharge light-duty passenger vehicles. High-power charging requires high-level communication between vehicle and charger to govern the charging process. The coupling of power and communication increases the potential scale of cyberattacks. Using a full Western Electricity Coordinating Council planning model, load manipulation from high-power charging infrastructure is investigated. Two cases of load manipulation are studied: (i) a discrete, widespread system event and (ii) loads modulated near the Western Interconnect’s resonant frequency. In (i) some generation trips and in (ii) oscillations are observed on the California Oregon Intertie. Neither scenario results in significant adverse effects to the grid.

33 ADVANCED PROPULSION SYSTEMS↗

SOWFA Large-Eddy Simulation of a Diurnal Cycle at the SWiFT Site

These are large-eddy simulation (LES) data output from the Simulator for Wind Farm Applications (SOWFA) with internal mesoscale-to-microscale coupling. A diurnal cycle was simulated over the Scaled Wind Farm Technology (SWIFT) facility near Lubbock, Texas, from 2013-11-08 12:00:00 UTC to 2013-11-09 12:00:00 UTC. Indirect profile assimilation was used to enforce nonstationary mesoscale conditions. Mesoscale forcing data were extracted from WRF numerical weather prediction outputs or derived from observations at SWiFT.

17 WIND ENERGY↗

High-Fidelity Simulations of Plasma-Assisted Oxidation of Hydrocarbon Fuels Using Nanosecond Pulsed Discharges

Next, a robust and efficient framework for simulating NSPD in multiple dimensions is developed. The reactive Navier-Stokes equations are extended to include a drift-diffusion plasma-fluid model with a local field approximation (LFA) in a finite-volume solver, which uses an adaptive mesh refinement (AMR) strategy to address the wide separation of length scales in the problem. A two-way coupling strategy is used whereby the plasma-fluid model and reactive Navier-Stokes equations are integrated simultaneously. The oxidation of ethylene/air mixtures mediated by NSPD is simulated in a pin-to-pin configuration. All phases of the plasma discharge are simulated explicitly (including streamer ignition, propagation, and connection, as well as the subsequent spark phase), along with the evolution of the plasma during the inter-pulse period. Temporally and spatially-resolved results are presented, with an emphasis on the analysis of heating and energy deposition, as well as of the evolution of the concentration of active particles generated during the NSPD and their influence on ignition.

adaptive mesh refinement↗

A large-scale numerical model of sea ice

The described large-scale sea ice model, which is capable of coupling with atmospheric and oceanic models of comparable resolution, simulates the yearly cycle of ice in both the Northern and Southern Hemispheres. Model results for the yearly cycle of sea ice thickness and extent in both the Arctic and the Antarctic are presented. Horizontally the model resolution is approximately 200 km, while vertically four layers - ice, snow, ocean, and atmosphere - are considered. Thermodynamic processes based on energy balances at the various interfaces and dynamic processes based on wind stress, water stress, Coriolis force, internal ice resistance, and the stress from the tilt of the sea surface are incorporated. It is assumed that the ice within a given grid square is of uniform thickness, although each square has a variable percentage of its area ice free.

Parkinson, C. L.↗

A survey of payload integration methods

The most prominent payload integration methods are presented and evaluated. The paper outlines the problem and some of the difficulties encountered when analyzing a coupled booster/payload system. Descriptions of both full-scale and short-cut methods are given together with an assessment of their strengths and weaknesses. Finally, an extensive list of references is included.

Engels, R. C.↗

The nature of large-scale turbulence in the Jovian atmosphere

The energetics and spectral characteristis of quasi-geostrophic turbulence in Jupiter's atmosphere are examined using sequences of Voyager images and infrared temperature soundings. Using global wind measurements momentum transports associated with zonally symmetric stresses and turbulent stresses are quantified. Though a strong up-gradient flux of momentum by eddies was observed, measurements do not preclude the possibility that symmetric stresses play a critical role in maintaining the mean zonal circulation. Strong correlation between the observed meridional distribution of eddy-scale kinetic energy and available potential energy suggests coupling between the observed cloudtop turbulent motions and the upper tropospheric thermodynamics. An Oort energy budget for Jupiter's upper troposphere is formulated.

Mitchell, J. L.↗