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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 793 records · Page 44

Accurate and rapid acoustic damage characterization in complex structures using sparse sensor networks and deep learning models

Damage diagnosis in critical components is essential for ensuring the safety and reliability of operations across industries, spanning manufacturing, aerospace, and energy. Traditional acoustic nondestructive testing methods primarily focus on detecting defects through the direct scattering of single-mode incident waves from the damage, which limit their applicability to simple structures and small inspection areas. Our earlier research demonstrated that machine learning algorithms combined with sparse sensor networks can identify critical defect signatures even from multiply scattered, multi-mode acoustic signals, indicating the potential for improved defect inspection in complex, real-world structures. In this work, we demonstrate the successful implementation of this approach in a fixed sensor configuration to rapidly and accurately detect simulated defects in a geometrically complex, real-world structure, a brake rotor hub. Three different types of defects were physically simulated on the surface of the hub, and the collected data were used to train an autoencoder-based deep learning model. Two models were tested, one using single measurements and the other using multiple measurements taking advantage of the spatial distribution of the sensor network. After training, the multi-measurement model achieved 100 % accuracy in identifying, classifying, and locating unseen, unique damages. This work illustrates the potential of the proposed method for a wide range of industrial applications.

36 MATERIALS SCIENCE↗

Molecular Imaging Reveals Two Distinct Mixing States of PM 2.5 Particles Sampled in a Typical Beijing Winter Pollution Case

Mixing states of aerosol particles are crucial for understanding the role of aerosols in influencing air quality and climate. However, a fundamental understanding of the complex mixing states is still lacking because most traditional analysis techniques only reveal bulk chemical and physical properties with limited surface and 3-D information. In this research, 3-D molecular imaging enabled by ToF-SIMS was used to elucidate the mixing states of PM 2.5 samples obtained from a typical Beijing winter haze event. In light pollution cases, a thin organic layer covers separated inorganic particles, while in serious pollution cases, ion exchange and an organic-inorganic mixing surface on large-area particles were observed. Finally, the new results provide key 3-D molecular information of mixing states, which is highly desirable for reducing uncertainty and bias in representing aerosol-cloud interactions in current Earth System Models, and improving the understanding of aerosols on air quality and human health.

3-D molecular imaging↗

Chemisorption-Driven Roughening of Hydrothermally Grown KTa1–xNbxO3 Nanoparticles

The chemical and physical properties of nanoparticle surfaces have significant effects on their growth processes and the resulting morphology. Hydrothermally grown KNbO3, KTaO3, and KTa1–xNbxO3 were studied to examine the complex relationships between surface composition, phase, chemistry, and energetics and how these may be used to model and thereby control nanoparticle growth mechanisms. Two different composition-dependent growth modes were identified, where one type formed smooth surface facets, while the other resulted in roughened nanoparticle morphologies. Electron microscopy characterization, density functional theory calculations, and mathematical growth models were used to illuminate the role of surface properties and chemisorption on the nanoparticle growth morphology. Surface energy reduction by chemisorption can increase the rate of terrace nucleation, driving the roughening of these lower energy nanoparticle surfaces.

Ly, Tiffany↗

Nucleation and Early Stage Growth of Li Electrodeposits

The morphologies metal electrodeposits adopt during the earliest stages of electrodeposition are known to play a critical role in the recharge of electrochemical cells that use metals as anodes. In this work, we report results from a combined theoretical and experimental study of the early-stage nucleation and growth of electrodeposited lithium at liquid-solid interfaces. The spatial characteristics of Lithium electrodeposits are studied via Scanning Electron Microscopy in tandem with Image analysis. Comparisons of Li nucleation and growth in multiple electrolytes provide a comprehensive picture of the initial nucleation and growth dynamics. We report that ion diffusion in the bulk electrolyte and through the Solid Electrolyte Interphase (SEI) formed spontaneously on the metal play equally important roles on Li nucleation and growth. Furthermore, we postulate that the underlying physics dictating bulk and surface diffusion are similar across a range of electrolyte chemistries and measurement conditions and that fluorinated electrolytes produce a distinct flattening of Li electrodeposits at low rates. These observations are rationalized using X-ray Photoelectron Spectroscopy (XPS), Electrochemical Impedance Spectroscopy (EIS), and contact angle goniometry to probe the interfacial chemistry and dynamics. Our results show that high interfacial energy and high surface ion diffusivity are necessary for uniform Li plating.

25 ENERGY STORAGE↗

Electrochemical Deposition of Conformal Semiconductor Layers in Nanoporous Oxides for Sensitized Photoelectrodes

Nanoporous photoelectrodes with photoactive semiconductors have been investigated for various energy applications such as solar cells and photoelectrochemical cells, but the deposition of the semiconducting materials on the nanoporous electrodes has been very challenging due to pore clogging or complete pore filling. Here, we propose a band alignment model that explains the morphology of the electrochemically deposited semiconductor layer on the semiconducting nanoporous oxide electrode. Briefly, the coating material with a conduction band edge higher (i.e., more negative) than that of the electrode material forms a conformal coating, which maintains the initial nanoporous structure. As a result, a conformal CdSe layer can be electrodeposited onto TiO 2 nanotubes, which can be used as a photoelectrode of a sensitized solar cell. The electron dynamics studies revealed that the CdSe-sensitized TiO 2 nanotube electrode exhibited faster charge transport and slower charge recombination than its dye-sensitized counterpart, which has been ascribed to the passivation of surface traps and the physically blocked back-electron transfer by the CdSe layer as well as the higher conduction band of CdSe.

36 MATERIALS SCIENCE↗

Characterizing Physical Properties of Streambed Interface Sediments Using In Situ Complex Electrical Conductivity Measurements

Streambed sediment physical properties such as surface area, are difficult to quantify in situ but exert a high-level control on a wide range of biogeochemical processes and sorption of contaminants. We introduce the use of complex electrical conductivity (CC) methods (also known as spectral-induced polarization (SIP)) that measure both real and imaginary conductivity to noninvasively and efficiently characterize shallow streambed sediments. We explore the method through synthetic modeling, laboratory, and field measurements to demonstrate the sensitivity of imaginary conductivity to sediment surface area, controlled in part by fine-grained iron oxides produced by anoxic groundwater discharge. Laboratory measurements verify expected relationships between CC parameters and sediment properties. Synthetic modeling using a 1D analytical model illustrates the influence of water layer depth and conductivity on the field CC measurements made at the streambed-stream water interface. Specifically, the inverted sediment imaginary conductivity is less impacted by uncertainty in the water layer depth and conductivity relative to the real conductivity and phase shift. Field CC measurements along a landfill-impacted river reveal discrete streambed zones with enhanced bulk surface area generally corresponding to anoxic groundwater discharge zones with high concentrations of fine-grained iron oxide precipitates.

54 ENVIRONMENTAL SCIENCES↗

Pattern-enhanced Resonant Soft X-ray Scattering for Operando monitoring of electrochemical solid-liquid interfaces

Unveiling interfaces at sub-nanometer scales is essential for advancing the understanding of complex chemical transformations. However, characterizing solid-liquid interfaces with high dimensional sensitivity and temporal resolution remains challenging, due to their dynamic nature and inaccessibility by conventional probes. Here we present an approach, Pattern-enhanced Resonant Soft X-ray Scattering, to overcome the challenges. Rooted in a “sample-as-optics” philosophy, this technique utilizes precisely engineered line-grating nanopatterns to modulate near-field X-ray illumination, coherently enhancing scattering signals from the line-gratings. We implement the method using Ni line-grating nanopatterns in electrochemical water oxidation. The periodic nanostructures serve as diffractive optical elements to reveal the Ni oxidation gradients and structural dynamics at the electrode-electrolyte interfaces. Finite-element simulations corroborate the observed trends by modeling variations in compositions and structures during electrocatalysis. Through integrating advanced sample design with coherent wave nature of soft X-rays, our approach opens accessible pathways to operando exploring chemical evolution and sub-nanometer dimensional variations simultaneously in electrochemical systems. This non-destructive method is efficient and element-specific, making it valuable for probing chemical and dimensional dynamics with appropriate modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Flow and extraction of energy and charge carriers in hybrid plasmonic nanostructures

Strong interactions of electromagnetic fields with plasmonic nanomaterials have been exploited in various applications. These applications have centred on plasmon-enhanced scattering rates in nearby molecules or plasmon-induced heating. A question that has emerged recently is whether it is possible to use plasmonic nanostructures in a range of hot electron (hole) applications, including photocatalysis, photovoltaics and photodetection. These applications require coupling of a plasmonic component, which amplifies the interaction of light with the material, to an attached non-plasmonic component that extracts this energy in the form of electronic excitations to perform a function. Here, in this Perspective, we discuss recent work in the emerging field of hybrid plasmonics. We focus on fundamental questions related to the nanoscopic flow of energy and excited charge carriers in these multicomponent materials. We also address critical misconceptions, challenges and opportunities that require more attention.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unraveling the electronic structure and magnetic transition evolution across monolayer, bilayer, and multilayer ferromagnetic Fe 3 GeTe 2

Two-dimensional (2D) van der Waals (vdW) magnets have sparked widespread attention due to their potential in spintronic applications as well as in fundamental physics. Ferromagnetic vdW compound Fe 3 GeTe 2 (FGT) and its Ga variants have garnered significant interest due to their itinerant magnetism, correlated states, and high magnetic transition temperature. Experimental studies have demonstrated the tunability of FGT’s Curie temperature, T C , through adjustments in quintuple layer numbers (QL) and carrier concentrations, n. However, the underlying mechanism remains elusive. In this study, we employ molecular beam epitaxy (MBE) to synthesize 2D FGT films down to 1 QL with precise layer control, facilitating an exploration of the band structure and the evolution of itinerant carrier density. Angle-resolved photoemission spectroscopy (ARPES) reveals significant band structure changes at the ultra-thin limit, while first-principles calculations elucidate the band evolution from 1 QL to bulk, largely governed by interlayer coupling. Additionally, we find that n is intrinsically linked to the number of QL and temperature, with a critical value triggering the magnetic phase transition. Our findings underscore the pivotal role of band structure and itinerant electrons in governing magnetic phase transitions in such 2D vdW magnetic materials.

36 MATERIALS SCIENCE↗

Light extraction in tandem organic light emitting diodes

Since the invention of organic light emitting diodes (OLEDs), great research efforts have been dedicated to improving their efficiency and lifetime. For high-brightness applications, tandem OLED structures have advantages because of the lower current densities required to achieve high brightness. With the successful development of highly efficient charge generation layers, high brightness tandem OLEDs are used in displays and lighting. However, the major challenge for tandem OLEDs is the low light extraction efficiency, because about 50% of the light is trapped inside the device as waveguide modes. In this Perspective, we first review the recent works done on light extraction, analyze different waveguide mode extraction structures, and then identify the key factors determining the extraction efficiencies in tandem OLEDs.

42 ENGINEERING↗

Glasses denser than the supercooled liquid

When aged below the glass transition temperature, T g , the density of a glass cannot exceed that of the metastable supercooled liquid (SCL) state, unless crystals are nucleated. The only exception is when another polyamorphic SCL state exists, with a density higher than that of the ordinary SCL. Experimentally, such polyamorphic states and their corresponding liquid–liquid phase transitions have only been observed in network-forming systems or those with polymorphic crystalline states. In otherwise simple liquids, such phase transitions have not been observed, either in aged or vapor-deposited stable glasses, even near the Kauzmann temperature. Here, we report that the density of thin vapor-deposited films of N,N'-bis(3-methylphenyl)-N,N'-diphenylbenzidine (TPD) can exceed their corresponding SCL density by as much as 3.5% and can even exceed the crystal density under certain deposition conditions. We identify a previously unidentified high-density supercooled liquid (HD-SCL) phase with a liquid–liquid phase transition temperature (T LL ) ~35 K below the nominal glass transition temperature of the ordinary SCL. Additionally, the HD-SCL state is observed in glasses deposited in the thickness range of 25 to 55 nm, where thin films of the ordinary SCL have exceptionally enhanced surface mobility with large mobility gradients. The enhanced mobility enables vapor-deposited thin films to overcome kinetic barriers for relaxation and access the HD-SCL state. The HD-SCL state is only thermodynamically favored in thin films and transforms rapidly to the ordinary SCL when the vapor deposition is continued to form films with thicknesses more than 60 nm.

36 MATERIALS SCIENCE↗

Two-Phase Turbulent Kinetic Energy Budget Computation in Co-Current Taylor Bubble Flow

Simulation of two-phase flows is relevant for reactor design and safety at normal operation or during accident scenarios. Often, the two-phase flow is in a regime in which slugs are formed or where the flow stratifies. Modeling such situations using standard single-phase Reynolds-averaged Navier-Stokes (RANS) turbulence models fails due to an overestimation of the eddy viscosity at the resolved two-phase interface. To solve this, an ad hoc turbulence damping term has been proposed in the literature that reduces the turbulence production locally at a two-phase interface, analogously to turbulence wall functions. However, this approach must be tailored to the specific setting and does not consider physical contributions such as surface tension or flow topology. Therefore, the problem of two-phase interfacial turbulence must be studied more in-depth. In this work, we consider co-current turbulent Taylor bubble flow using high-fidelity numerical simulation. The Basilisk code is used to simulate a Taylor bubble rising in a vertical pipe. By simulating the bubble in a moving frame of reference, we may study the turbulent kinetic energy (TKE) budgets ahead of the bubble, in its wake, and across the interface. The implementation of the TKE budget computation and the underlying averaging techniques are validated for the single-phase region ahead of the Taylor bubble using reference direct numerical simulation data. The analysis of the TKE budgets in the setting of Taylor bubble flow allows for the study of how turbulence behaves due to the presence of a two-phase interface and, in turn, supports the improvement of two-phase RANS models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Topological nature of step-edge states on the surface of the topological crystalline insulator Pb 0.7 Sn 0.3 Se

In addition to novel surface states, topological insulators can also exhibit robust gapless states at crystalline defects. Step edges constitute a class of common defects on the surface of crystals. In this work we establish the topological nature of one-dimensional (1D) bound states localized at step edges of the (001) surface of a topological crystalline insulator Pb 0.7 Sn 0.3 Se, both theoretically and experimentally. We show that the topological stability of the step-edge states arises from an emergent particle-hole symmetry of the surface low-energy physics, and demonstrate the experimental signatures of the particle-hole symmetry breaking. We also reveal the effects of an external magnetic field on the 1D bound states. Furthermore, our work suggests the possibility of similar topological step-edge modes in other topological materials with a rocksalt structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

First-Principles Prediction of Potentials and Space-Charge Layers in All-Solid-State Batteries

As all-solid-state batteries (SSBs) develop as an alternative to traditional cells, a thorough theoretical understanding of driving forces behind battery operation is needed. We present a fully first-principles-informed model of potential profiles in SSBs and apply the model to the Li/LiPON/Li x CoO 2 system. The model predicts interfacial potential drops driven by both electron transfer and Li + space-charge layers that vary with the SSB’s state of charge. Furthermore, the results suggest a lower electronic ionization potential in the solid electrolyte favors Li + transport, leading to higher discharge power.

25 ENERGY STORAGE↗

Yearly report for the period Jan. 2018 – Jan. 2019 IC Project: w17_unedetection - “Simulation of underground nuclear explosions using the combined finite discrete element method” and “Fracture Formation and Permeability Evolution at in situ Pressure, Temperature and Stress Conditions”

Understanding the underlying physical processes associated with an underground nuclear explosion (UNE) can help with detection and identification of a suspected event. The Underground Nuclear Explosion Signatures Experiment (UNESE) is a collaborative effort between national laboratories aimed towards improving our understanding of physical and radiochemical signatures associated with a UNE. One primary objective of this effort is to perform hydrodynamic modeling of a UNE, with the purpose of estimating the extent of damage caused by such an event. Estimating the damage associated with an event is important for: a) detection of possible physical signatures at the surface of the earth such as fractures, spallation, and cratering and (b) damage to subsurface structures such as tunnels. Additionally, the damage produced by the hydrodynamic models play can be used to inform subsurface flow and transport models. The Combined Finite-Discrete Element Method (FDEM), implemented as an in-house code known as HOSS (Hybrid Optimization Software Suite), is used to model the damage associated with a UNE in various geological settings.

42 ENGINEERING↗

Control of the Plasma-Material Interface for Long Pulse Optimization in EAST and KSTAR

This project's major goal was to understand and control the plasma-material interface to improve long pulse discharge and performance in the EAST and KSTAR devices, emphasizing the unique strengths of each machine. In particular, MIT has developed implanted depth markers to diagnose the net erosion of high-Z materials. The goals included the characterization and utilization of these markers in various high-Z materials of interest, including TZM, tungsten, and refractory metal base high entropy alloys.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Trends in Microbial Community Composition and Function by Soil Depth

Microbial communities play important roles in soil health, contributing to processes such as the turnover of organic matter and nutrient cycling. As soil edaphic properties such as chemical composition and physical structure change from surface layers to deeper ones, the soil microbiome similarly exhibits substantial variability with depth, with respect to both community composition and functional profiles. However, soil microbiome studies often neglect deeper soils, instead focusing on the top layer of soil. Here, we provide a synthesis on how the soil and its resident microbiome change with depth. We touch upon soil physicochemical properties, microbial diversity, composition, and functional profiles, with a special emphasis on carbon cycling. In doing so, we seek to highlight the importance of incorporating analyses of deeper soils in soil studies.

59 BASIC BIOLOGICAL SCIENCES↗

Marine biology and remote sensing

Remote sensing from manned orbital spacecraft for measuring characteristics of physical environment at sea surface - marine biology

SENSING↗