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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

GPS Monitoring of Surface Change During and Following the Fortuitous Occurrence of the M(sub w) = 7.3 Landers Earthquake in our Network

Accomplishments: (1) Continues GPS monitoring of surface change during and following the fortuitous occurrence of the M(sub w) = 7.3 Landers earthquake in our network, in order to characterize earthquake dynamics and accelerated activity of related faults as far as 100's of kilometers along strike. (2) Integrates the geodetic constraints into consistent kinematic descriptions of the deformation field that can in turn be used to characterize the processes that drive geodynamics, including seismic cycle dynamics. In 1991, we installed and occupied a high precision GPS geodetic network to measure transform-related deformation that is partitioned from the Pacific - North America plate boundary northeastward through the Mojave Desert, via the Eastern California shear zone to the Walker Lane. The onset of the M(sub w) = 7.3 June 28, 1992, Landers, California, earthquake sequence within this network poses unique opportunities for continued monitoring of regional surface deformation related to the culmination of a major seismic cycle, characterization of the dynamic behavior of continental lithosphere during the seismic sequence, and post-seismic transient deformation. During the last year, we have reprocessed all three previous epochs for which JPL fiducial free point positioning products available and are queued for the remaining needed products, completed two field campaigns monitoring approx. 20 sites (October 1995 and September 1996), begun modeling by development of a finite element mesh based on network station locations, and developed manuscripts dealing with both the Landers-related transient deformation at the latitude of Lone Pine and the velocity field of the whole experiment. We are currently deploying a 1997 observation campaign (June 1997). We use GPS geodetic studies to characterize deformation in the Mojave Desert region and related structural domains to the north, and geophysical modeling of lithospheric behavior. The modeling is constrained by our existing and continued GPS measurements, which will provide much needed data on far-field strain accumulation across the region and on the deformational response of continental lithosphere during and following a large earthquake, forming the basis for kinematic and dynamic modeling of secular and seismic-cycle deformation. GPS geodesy affords both regional coverage and high precision that uniquely bear on these problems.

Miller, M. Meghan↗
NASA NTRS1998

Nonlinear Insolation Forcing: A Physical Mechanism for Climate Change

This paper focuses on recent advances in the understanding of nonlinear insolation forcing for climate change. The amplitude-frequency resonances in the insolation variations induced by the Earth's changing obliquity are emergent and may provide a physical mechanism to drive the glaciation cycles. To establish the criterion that nonlinear insolation forcing is responsible for major climate changes, the cooperative phenomena between the frequency and amplitude of the insolation are defined as insolation pulsation. Coupling of the insolation frequency and amplitude variations has established an especially new and interesting series of insolation pulses. These pulses would modulate the insolation in such a way that the mode of insolation variations could be locked to generate the 100-kyr ice age cycle which is a long-time geophysical puzzle. The nonlinear behavior of insolation forcing is tested by energy balance and ice sheet climate models and the physical mechanism behind this forcing is explained in terms of pulse duration in the incoming solar radiation. Calculations of the solar energy flux at the top of the atmosphere show that the duration of the negative and positive insolation pulses is about 2 thousand years which is long enough to prolong glaciation into deep ice ages and cause rapid melting of large ice sheets in the high latitudes of the northern hemisphere. We have performed numerical simulations of climate response to nonlinear insolation forcing for the past 2 million years. Our calculated results of temperature fluctuations are in good agreement with the climate cycles as seen in the terrestrial biogenic silica (BDP-96-2) data as well as in the marine oxygen isotope (delta(sup 18)O) records.

Liu, H. S.↗
DOE OSTI2025

Thermally driven surface phase separation in intermetallic alloys

Intermetallic compounds are widely recognized for their high-temperature phase stability and resistance to composition and structural changes. However, we reveal athermally activated bulk-to-surface mass exchange mechanism that drives surface phase separation, resulting in the formation of surface precipitates with distinct composition andstructure from the bulk matrix. Using the archetypal β-NiAl system, we show that asymmetries in vacancy formation energies between Ni and Al atoms induce preferential Ni segregation to the surface, forming Ni-rich γ'-Ni 3 Al precipitates. By integrating in-situ electron microscopy, synchrotron X-ray absorption spectroscopy and first-principles computational modeling, we establish a direct mechanistic connection between bulk thermal defect dynamics, surface compositional evolution, and phase segregation behavior. This bulk-surface coupling mechanism can be a driver of surface phase separation in multicomponent alloys under thermal stress. In conclusion, these results refine the thermodynamic boundaries of intermetallic stability and provide insights into managingthe performance and durability of intermetallic alloys for demanding high-temperature applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Magnetic vortex nucleation/annihilation in artificial-ferrimagnet microdisks

The topological nature of magnetic-vortex state gives rise to peculiar magnetization reversal observed in magnetic microdisks. Interestingly, magnetostatic and exchange energies which drive this reversal can be effectively controlled in artificial ferrimagnet heterostructures composed of rare-earth and transition metals. [Py(t)/Gd(t)] 25 (t=1 or 2 nm) superlattices demonstrate a pronounced change of the magnetization and exchange stiffness in a 10–300 K temperature range as well as very small magnetic anisotropy. Due to these properties, the magnetization of cylindrical microdisks composed of these artificial ferrimagnets can be transformed from the vortex to uniformly-magnetized states in a permanent magnetic field by changing the temperature. We explored the behavior of magnetization in 1.5-µm [Py(t)/Gd(t)] 25 (t=1 or 2 nm) disks at different temperatures and magnetic fields and observed that due to the energy barrier separating vortex and uniformly-magnetized states, the vortex nucleation and annihilation occur at different temperatures. This causes the temperature dependences of the Py/Gd disks magnetization to demonstrate unique hysteretic behavior in a narrow temperature range. It was discovered that for the [Py(2 nm)/Gd(2 nm)] 25 microdisks the vortex can be metastable at a certain temperature range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2000

Lubrication System Failure Baseline Testing on an Aerospace Quality Gear Mesh

Aerospace drive systems are required to survive a loss-of-lubrication test for qualification. In many cases emergency lubrication systems need to be designed and utilized to permit the drive system to pass this difficult requirement. The weight of emergency systems can adversely affect the mission capabilities of the aircraft. The possibility to reduce the emergency system weight through the use of mist lubrication will be described. Mist lubrication involves the delivery of a minute amount of an organic liquid as a vapor or fine mist in flowing compressed air to rubbing surfaces. At the rubbing surface, the vapor or mist reacts to form a solid lubricating film. The aim of this study was to establish a baseline for gear behavior under oil depleted conditions. A reactive vapor-mist lubrication method is described and proposed as a candidate emergency lubrication system.

Handschuh, Robert F.↗
DOE OSTI2017

The effects of convergence ratio on the implosion behavior of DT layered inertial confinement fusion capsules

The wetted foam capsule design for inertial confinement fusion capsules, which includes a foam layer wetted with deuterium-tritium liquid, enables layered capsule implosions with a wide range of hot-spot convergence ratios (CR) on the National Ignition Facility. In this paper, we present a full-scale wetted foam capsule design that demonstrates high gain in one-dimensional simulations. In these simulations, increasing the convergence ratio leads to an improved capsule yield due to higher hot-spot temperatures and increased fuel areal density. High-resolution two-dimensional simulations of this design are presented with detailed and well resolved models for the capsule fill tube, support tent, surface roughness, and predicted asymmetries in the x-ray drive. Our modeling of these asymmetries is validated by comparisons with available experimental data. In 2D simulations of the full-scale wetted foam capsule design, jetting caused by the fill tube is prevented by the expansion of the tungsten-doped shell layer due to preheat. While the impacts of surface roughness and predicted asymmetries in the x-ray drive are enhanced by convergence effects, likely underpredicted in 2D at high CR, simulations predict that the capsule is robust to these features. Nevertheless, the design is highly susceptible to the effects of the capsule support tent, which negates all of the one-dimensional benefits of increasing the convergence ratio. Indeed, when the support tent is included in simulations, the yield decreases as the convergence ratio is increased for CR > 20. Finally and nevertheless, the results suggest that the full-scale wetted foam design has the potential to outperform ice layer capsules given currently achievable levels of asymmetries when fielded at low convergence ratios (CR < 20).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Enabling Stable Cycling of 4.2 V High-Voltage All-Solid-State Batteries with PEO-Based Solid Electrolyte

Poly(ethylene oxide) (PEO)-based solid electrolytes are expected to be exploited in solid-state batteries with high safety. Its narrow electrochemical window, however, limits the potential for high voltage and high energy density applications. In this paper, the electrochemical oxidation behavior of PEO and the failure mechanisms of LiCoO 2 -PEO solid-state batteries are studied. It is found that although for pure PEO it starts to oxidize at a voltage of above 3.9 V versus Li/Li + , the decomposition products have appropriate Li + conductivity that unexpectedly form a relatively stable cathode electrolyte interphase (CEI) layer at the PEO and electrode interface. The performance degradation of the LiCoO 2 -PEO battery originates from the strong oxidizing ability of LiCoO 2 after delithiation at high voltages, which accelerates the decomposition of PEO and drives the self-oxygen-release of LiCoO 2 , leading to the unceasing growth of CEI and the destruction of the LiCoO 2 surface. When LiCoO 2 is well coated or a stable cathode LiMn 0.7 Fe 0.3 PO 4 is used, a substantially improved electrochemical performance can be achieved, with 88.6% capacity retention after 50 cycles for Li 1.4 Al 0.4 Ti 1.6 (PO 4 ) 3 coated LiCoO 2 and 90.3% capacity retention after 100 cycles for LiMn 0.7 Fe 0.3 PO 4 . The results suggest that, when paired with stable cathodes, the PEO-based solid polymer electrolytes could be compatible with high voltage operation.

25 ENERGY STORAGE↗
DOE OSTI2018

Myosin-IIA heavy chain phosphorylation on S1943 regulates tumor metastasis

Highlights: • pS1943 NMHC-IIA is detected in orthotopic tumors and metastatic lesions. • S1943E NMHC-IIA drives gelatin degradation and MMP9 secretion. • S1943E NMHC-IIA S1943E increases experimental metastasis in vivo. • NMHC-IIA S1943 phosphorylation regulates breast cancer invasion and metastasis. Nonmuscle myosin-IIA (NMHC-IIA) heavy chain phosphorylation has gained recognition as an important feature of myosin-II regulation. In previous work, we showed that phosphorylation on S1943 promotes myosin-IIA filament disassembly in vitro and enhances EGF-stimulated lamellipod extension of breast tumor cells. However, the contribution of NMHC-IIA S1943 phosphorylation to the modulation of invasive cellular behavior and metastasis has not been examined. Stable expression of phosphomimetic (S1943E) or non-phosphorylatable (S1943A) NMHC-IIA in breast cancer cells revealed that S1943 phosphorylation enhances invadopodia function, and is critical for matrix degradation in vitro and experimental metastasis in vivo. These studies demonstrate a novel link between NMHC-IIA S1943 phosphorylation, the regulation of extracellular matrix degradation and tumor cell invasion and metastasis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling as Catalysts for Next-Generation Breakthroughs

The Presidential Symposium (PRES) at the 2025 Fall Meeting, hosted by the President’s Office and Energy and Fuels Division, American Chemical Society (ACS) in Washington, DC, brought together a diverse group of chemists, engineers, and materials scientists working in battery materials & systems, automation and artificial intelligence from academia, industry, and national laboratories. The accelerating demand for high-performance, scalable, and sustainable energy storage has catalyzed a paradigm shift in how materials are dis-covered, devices are engineered, and systems are optimized. This Presidential Symposium, entitled “Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling Driving Next-Gen Breakthroughs”, brings together global leaders to unveil transformative strategies anchored in the AAA framework: Artificial Intelligence, Automation, and Advanced Modeling. Artificial Intelligence is redefining the frontiers of energy storage by enabling predictive design, real-time optimization, and intelligent control across diverse chemistries and architectures. Automation is streamlining the synthesis, characterization, and testing of battery materials, dramatically accelerating innovation cycles and unlocking scalable solutions for grid and mobility applications. Advanced Modeling, spanning atomic to system-level scales, provides unprecedented insight into electrochemical dynamics, degradation pathways, and thermal behavior, particularly when coupled with physics-informed machine learning and digital twin technologies. Digital twins, in turn, leverage the AAA framework by integrating real-time data, physics-based models, and AI predictions into dynamic virtual replicas, enabling proactive diagnostics, optimization, and system resilience. Together, these synergistic pillars are not only re-shaping the scientific landscape but also forging a new era of reproducible, data-driven, and resilient energy storage innovation. In conclusion, this symposium marks a pivotal moment in the convergence of computational intelligence and experimental rigor, charting the course for next-generation breakthroughs in lithium-ion, solid-state, and flow battery technologies.

Artificial Intelligence (AI)↗
DOE OSTI2025

Skyrmion-skyrmionium phase separation and laning transitions via spin-orbit torque currents

Many driven binary systems can exhibit laning transitions when the two species have different mobilities, such as colloidal particles with opposite charges in electric fields. Another example is pedestrian or active-matter systems, where particles moving in opposite directions form a phase-separated state that enhances the overall mobility. In this work, we use atomistic simulations to demonstrate that mixtures of skyrmions and skyrmioniums also exhibit pattern formation and laning transitions. Skyrmions move more slowly and at a finite skyrmion Hall angle compared to skyrmioniums, which move faster and without a skyrmion Hall effect. At low drives, the system forms a partially jammed phase where the skyrmioniums are dragged by the surrounding skyrmions, resulting in a finite angle of motion for the skyrmioniums. At higher drives, the system transitions into a laned state, but unlike colloidal systems, the lanes in the skyrmion-skyrmionium mixture are tilted relative to the driving direction due to the intrinsic skyrmion Hall angle. In the laned state, the skyrmionium angle of motion is reversed when it aligns with the tilted lane structure. At even higher drives, the skyrmioniums collapse into skyrmions. Below a critical skyrmion density, both textures can move independently with few collisions, but above this density, the laning state disappears entirely, and the system transitions to a skyrmion-only state. We map out the velocity and Hall responses of the different textures and identify three distinct phases: partially jammed, laned, and skyrmion-only moving crystal states. In conclusion, we compare our results to recent observations of tilted laning phases in pedestrian flows, where chiral symmetry breaking in the particle interactions leads to similar behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Trap Passivation for Reducing On-Resistance and Saturation Voltage in Wafer-Bonded InGaAs-Channel/GaN-Drain Vertical FETs

High frequency and high power are the driving forces behind semiconductor transistor technology. However, conventional devices have the tradeoff of either being high speed or high breakdown—but not both. Wafer-bonded current aperture vertical electron transistors (BAVETs) help eliminate the tradeoff by combining a high-speed III-As channel to a high-breakdown III-N drift region. The device presented herein comprises of an InAlAs gate-barrier/InGaAs channel, wafer-bonded to an InGaN/GaN drift region, with the InGaAs/InGaN interface referred to as the wafer-bonded interface (WBI). The electronic behavior of WBIs is yet less known but necessary in realizing the potential of a BAVET. Herein, strong trap activity at the WBI is shown to be the cause of abnormally high saturation voltage ( V DS_SAT ) in BAVETs. The traps cause unintentional space charge (SC) region in the drain region of the device. This causes a drain resistance, a higher ON-resistance ( R ON ), and a higher V DS_SAT . Here, the challenge is overcome by hydrogen passivation of traps at WBI by using a p-doping for the InAlAs layer, which reduces the trap-charge concentration at the WBI. Consequently, the width of the SC region is reduced and a reduction in V DS_SAT is demonstrated, wherein it reduces from >12 to 5 V.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Enhanced heat transfer combustor technology, subtasks 1 and 2, tast C.1

Analytical and experimental studies are being conducted for NASA to evaluate means of increasing the heat extraction capability and service life of a liquid rocket combustor. This effort is being conducted in conjunction with other tasks to develop technologies for an advanced, expander cycle, oxygen/hydrogen engine planned for upper stage propulsion applications. Increased heat extraction, needed to raise available turbine drive energy for higher chamber pressure, is derived from combustion chamber hot gas wall ribs that increase the heat transfer surface area. Life improvement is obtained through channel designs that enhance cooling and maintain the wall temperature at an accepatable level. Laboratory test programs were conducted to evaluate the heat transfer characteristics of hot gas rib and coolant channel geometries selected through an analytical screening process. Detailed velocity profile maps, previously unavailable for rib and channel geometries, were obtained for the candidate designs using a cold flow laser velocimeter facility. Boundary layer behavior and heat transfer characteristics were determined from the velocity maps. Rib results were substantiated by hot air calorimeter testing. The flow data were analytically scaled to hot fire conditions and the results used to select two rib and three enhanced coolant channel configurations for further evaluation.

Baily, R. D.↗
NASA NTRS2006

Trade Studies of Space Launch Architectures using Modular Probabilistic Risk Analysis

A top-down risk assessment in the early phases of space exploration architecture development can provide understanding and intuition of the potential risks associated with new designs and technologies. In this approach, risk analysts draw from their past experience and the heritage of similar existing systems as a source for reliability data. This top-down approach captures the complex interactions of the risk driving parts of the integrated system without requiring detailed knowledge of the parts themselves, which is often unavailable in the early design stages. Traditional probabilistic risk analysis (PRA) technologies, however, suffer several drawbacks that limit their timely application to complex technology development programs. The most restrictive of these is a dependence on static planning scenarios, expressed through fault and event trees. Fault trees incorporating comprehensive mission scenarios are routinely constructed for complex space systems, and several commercial software products are available for evaluating fault statistics. These static representations cannot capture the dynamic behavior of system failures without substantial modification of the initial tree. Consequently, the development of dynamic models using fault tree analysis has been an active area of research in recent years. This paper discusses the implementation and demonstration of dynamic, modular scenario modeling for integration of subsystem fault evaluation modules using the Space Architecture Failure Evaluation (SAFE) tool. SAFE is a C++ code that was originally developed to support NASA s Space Launch Initiative. It provides a flexible framework for system architecture definition and trade studies. SAFE supports extensible modeling of dynamic, time-dependent risk drivers of the system and functions at the level of fidelity for which design and failure data exists. The approach is scalable, allowing inclusion of additional information as detailed data becomes available. The tool performs a Monte Carlo analysis to provide statistical estimates. Example results of an architecture system reliability study are summarized for an exploration system concept using heritage data from liquid-fueled expendable Saturn V/Apollo launch vehicles.

Mathias, Donovan L.↗
NASA NTRS2003

Heats of Segregation of BCC Metals Using Ab Initio and Quantum Approximate Methods

Many multicomponent alloys exhibit surface segregation, in which the composition at or near a surface may be substantially different from that of the bulk. A number of phenomenological explanations for this tendency have been suggested, involving, among other things, differences among the components' surface energies, molar volumes, and heats of solution. From a theoretical standpoint, the complexity of the problem has precluded a simple, unified explanation, thus preventing the development of computational tools that would enable the identification of the driving mechanisms for segregation. In that context, we investigate the problem of surface segregation in a variety of bcc metal alloys by computing dilute-limit heats of segregation using both the quantum-approximate energy method of Bozzolo, Ferrante and Smith (BFS), and all-electron density functional theory. In addition, the composition dependence of the heats of segregation is investigated using a BFS-based Monte Carlo procedure, and, for selected cases of interest, density functional calculations. Results are discussed in the context of a simple picture that describes segregation behavior as the result of a competition between size mismatch and alloying effects

Good, Brian↗
NASA NTRSDate not supplied

Rapid Cycle Amine 4.0 System Development

Carbon dioxide (CO2) and humidity control is a key function of the spacesuit Portable Life Support Subsystem (PLSS). The latest spacesuit design utilizes a pressure swing bed containing a solid amine sorbent to scrub CO2 and humidity produced by the crewmember from the ventilation loop. The solid amine sorbent removes CO2 and humidity from the ventilation loop through a chemisorption mechanism. Simultaneously, CO2 and humidity are desorbed to vacuum via the two-bed pressure swing system during operation. This continuous regeneration allows for longer Extravehicular Activity (EVA) times while minimizing maintenance, consumables, and power usage. This concept has been in development for over 20 years, during which many prototypes and design iterations have been fabricated and evaluated. This paper discusses the recent Rapid Cycle Amine (RCA) design, development, and testing that has been done to advance the technology. The most recent fabrication is the RCA 3.0. It was delivered to NASA Johnson Space Center in 2015 and has since been tested at the component level and at the integrated PLSS level. The purpose of the component level testing was to understand CO2 removal capacity, end-of-life performance, and establish a baseline performance prior to integrated testing. The RCA 3.0 was integrated into the Exploration Extravehicular Mobility Unit (xEMU) PLSS for a comprehensive Design Verification Test (DVT) series. The integrated testing provided the benefit of characterizing the impact performance degradation has on the system. Many of the RCA requirements were developed through analysis, based on the limitations of the PLSS and, in some cases, assumptions about the system and flow behavior. Integrated testing was an opportunity to validate those requirements and assumptions. While the RCA 3.0 was being tested, the next design iteration, RCA 4.0, was under development. The RCA 4.0 preliminary design phase began in late-2019 and shortly after the Preliminary Design Review, the critical design phase began in 2021. The design work has concluded with the completion of a Pre-Manufacturing Review in 2022. This paper provides an overview of the RCA 4.0 system design, summarizes the results of integrated RCA 3.0 testing, and discusses the pertinence of driving requirements such as mass, volume, and power consumption.

Kelsey Bloom↗
DOE OSTI2019

Tree mortality submodels drive simulated long-term forest dynamics: assessing 15 models from the stand to global scale

Models are pivotal for assessing future forest dynamics under the impacts of changing climate and management practices, incorporating representations of tree growth, mortality, and regeneration. Quantitative studies on the importance of mortality submodels are scarce. We evaluated 15 dynamic vegetation models (DVMs) regarding their sensitivity to different formulations of tree mortality under different degrees of climate change. The set of models comprised eight DVMs at the stand scale, three at the landscape scale, and four typically applied at the continental to global scale. Some incorporate empirically derived mortality models, and others are based on experimental data, whereas still others are based on theoretical reasoning. Each DVM was run with at least two alternative mortality submodels. Model behavior was evaluated against empirical time series data, and then, the models were subjected to different scenarios of climate change. Most DVMs matched empirical data quite well, irrespective of the mortality submodel that was used. However, mortality submodels that performed in a very similar manner against past data often led to sharply different trajectories of forest dynamics under future climate change. Most DVMs featured high sensitivity to the mortality submodel, with deviations of basal area and stem numbers on the order of 10–40% per century under current climate and 20–170% under climate change. The sensitivity of a given DVM to scenarios of climate change, however, was typically lower by a factor of two to three. We conclude that (1) mortality is one of the most uncertain processes when it comes to assessing forest response to climate change, and (2) more data and a better process understanding of tree mortality are needed to improve the robustness of simulated future forest dynamics. Our study highlights that comparing several alternative mortality formulations in DVMs provides valuable insights into the effects of process uncertainties on simulated future forest dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Dynamics of Surface Alloys: Rearrangement of Pd/Ag(111) Induced by CO and O 2

To begin, alloys of Ag and small amounts of Pd are promising as bifunctional catalysts, potentially combining the inherent selectivity of the noble Ag with that of the more reactive Pd. Stable PdAg surface alloys are prepared via evaporation of Pd onto Ag(111) at room temperature followed by annealing at 400 K to create a model system. Using this procedure, the most stable form of the surface alloy under vacuum was determined to be a Ag-capped PdAg surface alloy, on the basis of a combination of X-ray photoelectron spectroscopy (XPS), scanning tunneling microscopy (STM), and density functional theory (DFT). Extensive roughening of the surface was apparent in STM images, characterized by islands of the Ag/PdAg/Ag(111) alloy of several layers thickness. The roughening is attributed to transport of Ag from the Ag(111) surface into the alloy islands. Within these islands, there is a driving force for Pd to be dispersed, surrounded by Ag, on the basis of DFT modeling. Exposure of these Ag/PdAg/Ag(111) islands to CO (0.5 Torr) at 300 K induces migration of Pd to the surface, driven by the energetic stabilization of the Pd–CO bond based on ambient-pressure XPS. Once the Pd is drawn to the surface by higher pressures of CO at room temperature, it remains stable even under very low CO partial pressures at temperatures of 300 K and below, on the basis of DFT-modeled phase behavior. Exposure to 1 Torr of O 2 at 400 K also causes Pd to resurface, and the resulting structure persists even at low pressures and temperatures below 300 K. These results establish that the state of the PdAg catalyst surface depends strongly on pretreatment and operational conditions. Hence, exposure of an alloy catalyst to CO or O 2 at moderate temperatures and pressures can lead to catalyst activation by bringing Pd to the surface. Furthermore, these results demonstrate that exposure to CO at room temperature, which is often used as a proxy for evaluating the Pd coordination sites available in a catalyst, changes the surface structure. Therefore, the CO vibrational frequencies measured with diffuse-reflectance infrared Fourier-transform spectroscopy (DRIFTS) on PdAg catalyst materials do not necessarily provide information about their working state, and fundamental understanding of the CO-PdAg alloy is crucial.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Topological ultranodal pair states in iron-based superconductors

Abstract Bogoliubov Fermi surfaces are contours of zero-energy excitations that are protected in the superconducting state. Here we show that multiband superconductors with dominant spin singlet, intraband pairing of spin-1/2 electrons can undergo a transition to a state with Bogoliubov Fermi surfaces if spin-orbit coupling, interband pairing and time reversal symmetry breaking are also present. These latter effects may be small, but drive the transition to the topological state for appropriate nodal structure of the intra-band pair. Such a state should display nonzero zero-bias density of states and corresponding residual Sommerfeld coefficient as for a disordered nodal superconductor, but occurring even in the pure case. We present a model appropriate for iron-based superconductors where the topological transition associated with creation of a Bogoliubov Fermi surface can be studied. The model gives results that strongly resemble experiments on FeSe 1− x S x across the nematic transition, where this ultranodal behavior may already have been observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗