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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

Unraveling Impurity-Dependent Morphological and Chemical Evolution of Ni–20Cr Alloy in Eutectic LiCl–KCl Molten Salt

Understanding the interfacial evolution of alloys in molten salt with different amounts of water (H 2 O) and oxygen (O 2 ) impurities is significant for applications in many fields, including concentrated solar power, molten salt reactors, and applications in pyrochemical reprocessing and electrorefining. Additionally, the impurity-driven corrosion mechanisms that lead to various morphological and chemical evolution characteristics at the interfaces of structural alloys and molten salts are not fully understood. In the present work, the three-dimensional (3D) morphological evolution of Ni-20Cr microwires in LiCl-KCl was studied at 500 °C under different moisture and oxygen conditions using in situ synchrotron transmission X-ray microscopy (TXM) and scanning transmission electron microscopy (STEM) techniques. No significant morphological changes were observed in Ni-20Cr microwires under vacuum conditions. However, the wires exhibited distinct morphological evolutions when exposed to molten salt containing H 2 O alone, as well as when both H 2 O and O 2 were present. Furthermore, Cr 2 O 3 precipitates were observed in the molten salt during corrosion with only H 2 O present, while Cr 6+ species were identified in the salt when O 2 was added. Further, these findings are crucial for understanding the corrosion mechanisms of molten salt with different amounts of H 2 O and O 2 contamination, providing insights for developing corrosion mitigation methods and improving the stability of containment alloys in molten salt applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Grain boundary zirconia-modified garnet solid-state electrolyte

Here, we report a method for promoting electrochemical stability in garnet Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 solid-state electrolyte based on a composite two-phase oxide–oxide microstructure. Grain boundary precipitation of the controlled distribution of amorphous zirconium oxide microparticles is achieved through the addition of reactive tantalum carbide. During ambient-atmosphere sintering, the carbide decomposes through an in situ reaction, the ‘extra’ Ta substituting for Zr within the Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 lattice. Density functional theory (DFT) calculations identify a thermodynamically favourable reaction path and show how substituting Ta 5+ at Zr 4+ sites affects the crystal structure as well as bulk ionic and electronic conductivities. Quantitative stereology highlights that zirconia also acts as a sintering aid, reducing compact porosity. Cryogenic focused-ion-beam scanning electron microscopy and fractography analysis of cycled solid-state electrolytes illustrates that near-universally observed intergranular Li-metal dendrite propagation is suppressed by the two-phase microstructure, favouring transgranular dendrites instead. Importantly, DFT demonstrates that compared with the Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 surface, the zirconium oxide surface per se is less electronically conductive and does not trap excess electrons to reduce Li ions. This is a key reason for the substantial improvement in the electrochemical properties over the single-phase baseline.

36 MATERIALS SCIENCE↗

Review of hydro-instability experiments with alternate capsule supports in indirect-drive implosions on the National Ignition Facility

Hydrodynamic instability growth of capsule support membranes (or “tents”) has been recognized as one of the major contributors to the performance degradation in high-compression plastic capsule implosions at the National Ignition Facility (NIF). The capsules were supported by tents because the nominal 10-μm diameter fill tubes were not strong enough to support capsules by themselves in indirect-drive implosions on NIF. After it was recognized that the tents had a significant impact of implosion's stability, new alternative support methods were investigated. While some of these methods completely eliminated tent, other concepts still used tents, but concentrated on mitigating their impact. The tent-less methods included “fishing pole” reinforced fill tubes, cantilevered fill tubes, and thin-wire “tetra cage” supports. In the “fishing pole” concept, a 10-μm fill tube was inserted inside 30-μm fill tube for extra support with the connection point located 300 μm away from the capsule surface. The cantilevered fill tubes were supported by 12-μm thick SiC rods, offset by up to 300 μm from the capsule surfaces. In the “tetra-cage” concept, 2.5-μm thick wires (carbon nanotube yarns) were used to support a capsule. Other concepts used “polar tents” and a “foam-shell” to mitigate the effects of the tents. The “polar tents” had significantly reduced contact area between the tents and the capsule compared to the nominal tents. In the “foam-shell” concept, a 200-μm thick, 30 mg/cc SiO 2 foam layer was used to offset the tents away from the capsule surface in an attempt to mitigate their effects. These concepts were investigated in x-ray radiography experiments and compared with perturbations from standard tent support. The measured perturbations in the “fishing pole,” cantilevered fill tube, and “tetra-cage” concepts compared favorably with (were smaller than) nominal tent perturbations and were recommended for further testing for feasibility in layered DT implosions. The “polar tents” were tested in layered DT implosions with a relatively-stable “high-foot” drive showing an improvement in neutron yield in one experiment compared to companion implosions with nominal tents. Furthermore, this article reviews and summarizes recent experiments on these alternate capsule support concepts. In addition, the concept of magnetic levitation is also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Deep-learning-aided extraction of optical constants in scanning near-field optical microscopy

Scanning near-field optical microscopy is one of the most effective techniques for spectroscopy of nanoscale systems. However, inferring optical constants from the measured near-field signal can be challenging because of a complicated and highly nonlinear interaction between the scanned probe and the sample. Conventional fitting methods applied to this problem often suffer from the lack of convergence or require human intervention. Here, we develop an alternative approach where the optical parameter extraction is automated by a deep learning network. The network provides an initial estimate that is subsequently refined by a traditional fitting algorithm. In conclusion, we show that this method demonstrates superior accuracy, stability against noise, and computational speed when applied to simulated near-field spectra.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Training neural networks using Metropolis Monte Carlo and an adaptive variant

Abstract We examine the zero-temperature Metropolis Monte Carlo (MC) algorithm as a tool for training a neural network by minimizing a loss function. We find that, as expected on theoretical grounds and shown empirically by other authors, Metropolis MC can train a neural net with an accuracy comparable to that of gradient descent (GD), if not necessarily as quickly. The Metropolis algorithm does not fail automatically when the number of parameters of a neural network is large. It can fail when a neural network’s structure or neuron activations are strongly heterogenous, and we introduce an adaptive Monte Carlo algorithm (aMC) to overcome these limitations. The intrinsic stochasticity and numerical stability of the MC method allow aMC to train deep neural networks and recurrent neural networks in which the gradient is too small or too large to allow training by GD. MC methods offer a complement to gradient-based methods for training neural networks, allowing access to a distinct set of network architectures and principles.

97 MATHEMATICS AND COMPUTING↗

Instability Effects in F(R)-Modified Gravity and in Gravitational Baryogenesis

The review is devoted to the development and subsequent application of methods for studying the stability of solutions of higher-order differential equations arising in various models of modified gravity and baryosynthesis. Major attention is paid to F (R )-modified theories proposed to describe the accelerated expansion of the universe and to baryon asymmetry generation in the framework of the spontaneous and gravitational baryogenesis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches

CD40 is a 48 kDa type I transmembrane protein that is constitutively expressed on hematopoietic cells such as dendritic cells, macrophages, and B cells. Engagement of CD40 by CD40L expressed on T cells results in the production of proinflammatory cytokines, induces T helper cell function, and promotes macrophage activation. The involvement of CD40 in chronic immune activation has resulted in CD40 being proposed as a therapeutic target for a range of chronic inflammatory diseases. CD40 antagonists are currently being explored for the treatment of autoimmune diseases and several anti-CD40 agonist mAbs have entered clinical development for oncological indications. To better understand the mode of action of anti-CD40 mAbs, we have determined the x-ray crystal structures of the ABBV-323 (anti-CD40 antagonist, ravagalimab) Fab alone, ABBV-323 Fab complexed to human CD40 and FAB516 (anti-CD40 agonist) complexed to human CD40. These three crystals structures 1) identify the conformational CD40 epitope for ABBV-323 recognition 2) illustrate conformational changes which occur in the CDRs of ABBV-323 Fab upon CD40 binding and 3) develop a structural hypothesis for an agonist/antagonist switch in the LCDR1 of this proprietary class of CD40 antibodies. The structure of ABBV-323 Fab demonstrates a unique method for antagonism by stabilizing the proposed functional antiparallel dimer for CD40 receptor via novel contacts to LCDR1, namely residue position R32 which is further supported by a closely related agonist antibody FAB516 which shows only monomeric recognition and no contacts with LCDR1 due to a mutation to L32 on LCDR1. These data provide a structural basis for the full antagonist activity of ABBV-323.

59 BASIC BIOLOGICAL SCIENCES↗

Stable tuning of photorefractive microcavities using an auxiliary laser

Cavity nonlinear optics enables intriguing physical phenomena to occur at micro- or nano-scales with modest input powers. While this enhances capabilities in applications such as comb generation, frequency conversion, and quantum optics, undesired nonlinear effects including photorefraction and thermal bistability are exacerbated. In this Letter, we propose and demonstrate a highly effective method of achieving cavity stabilization using an auxiliary laser for controlling photorefraction in a z-cut periodically poled lithium niobate (LN) microcavity system. Our numerical study accurately models the photorefractive effect under high input powers, guiding future analyses and development of LN microcavity systems.

42 ENGINEERING↗

Project on Nuclear Gaming: Investigating the Impact of Nuclear Weapons Capabilities on Deterrence: May 2-3, 2018 Workshop Summary

In the future, it may be possible for states to construct nuclear weapons with alternative effects that are optimized for specific military purposes. These nuclear weapon concepts might employ features such as enhanced radiation outputs (ER), electromagnetic pulse (EMP), or other approaches such as high-precision, low-yield systems (HPLY) that reduce collateral damage, but improve lethality to targets. Some have speculated that such weapons could have the effect of lowering the threshold of use for nuclear weapons by reducing the negative incentives to their use or by providing new military applications for nuclear weapons. A nuclear arsenal that includes weapons with alternate effect regimes may also have an impact on the calculus of escalation in a conflict scenario. This project of the University of California, Berkeley (UCB), Sandia National Laboratories (SNL), and Lawrence Livermore National Laboratory (LLNL) investigates the potential impacts of alternate nuclear weapons effects regimes on deterrence and strategic stability using experimental gaming methods. The purpose of this document is to capture the research questions, assumptions, scenario characteristics, and other details that provide the framework used to address this challenge presented during the first workshop discussion hosted by the Center for Global Security Research at LLNL with subject matter experts from government, academia, and the private sector. The report also summarizes feedback from participants. Topics discussed during the workshop included alternative effects of nuclear weapons, existing approaches for modeling and measuring conflict, and the state of the art in experimental game design.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

One-Step Spark Plasma Erosion Processing of Carbon-Coated Sn-Si Nanoparticles for Lithium-Ion Battery Anodes

High density portable energy storage is desirable owing to the energy requirements of portable electronics and electric vehicles. The Li-ion battery’s high energy density could be even further improved through the utilization of alternative materials (instead of carbon) for the anode, such as Sn or Si. Nonetheless, the large volume expansion upon lithiation, up to ~300% for Li 22 Si 5 , causes pulverization and rapid capacity degradation during cycling. Sn also forms a Li 22 Sn 5 compound with the equivalent stoichiometric Li capacity but with enhanced ductility. Nano-sized Si and Sn have demonstrated distinctive nanoscale properties, facilitating the retention of higher capacities, particularly when coated with carbon, which improves mechanical stability. To date, the methods of synthesizing coated Si, Sn, or Si-Sn alloyed nanoparticles are complicated, costly, and not readily scalable to meet the demands of cost-effective manufacturing. Spark plasma erosion in a hydrocarbon dielectric has been explored as a one-step process to produce Sn-Si alloy nanoparticles coated with a thin carbon film, offering a scalable and cost-effective processing route. The resulting Sn-Si particles exhibited a bi-modal size distribution at ~5 nm and ~500 nm and were carbon-coated, as intended, from the hydrocarbon dielectric breakdown. The spark-eroded nanoparticles were thoroughly characterized using TEM/EDS, XPS, AES, SSNMR, and TGA, and their improved electrochemical performance was assessed through half-cell experiments.

25 ENERGY STORAGE↗

Numerical solutions of differential equations

Various numerical methods for solving differential equations were analyzed and refined in an effort to develop a method which was adaptable to a large class of problems. The prime capabilities of the method included accuracy, numerical stability, and economic use of computer time. In multistep processes the corrector was changed at each step.

Wesson, J. R.↗