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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Probing many-body dynamics in a two-dimensional dipolar spin ensemble

Abstract The most direct approach for characterizing the quantum dynamics of a strongly interacting system is to measure the time evolution of its full many-body state. Despite the conceptual simplicity of this approach, it quickly becomes intractable as the system size grows. An alternate approach is to think of the many-body dynamics as generating noise, which can be measured by the decoherence of a probe qubit. Here we investigate what the decoherence dynamics of such a probe tells us about the many-body system. In particular, we utilize optically addressable probe spins to experimentally characterize both static and dynamical properties of strongly interacting magnetic dipoles. Our experimental platform consists of two types of spin defects in nitrogen delta-doped diamond: nitrogen-vacancy colour centres, which we use as probe spins, and a many-body ensemble of substitutional nitrogen impurities. We demonstrate that the many-body system’s dimensionality, dynamics and disorder are naturally encoded in the probe spins’ decoherence profile. Furthermore, we obtain direct control over the spectral properties of the many-body system, with potential applications in quantum sensing and simulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Green synthesis of reduced Ti 3 C 2 T x MXene nanosheets with enhanced conductivity, oxidation stability, and SERS activity

Transition metal carbides (MXenes) are an emerging family of highly conductive two-dimensional materials with additional functional properties introduced by surface terminations. Further modification of the surface terminations makes MXenes even more appealing for practical applications. Herein, we report a facile and environmentally benign synthesis of reduced Ti 3 C 2 T x MXene (r-Ti 3 C 2 T x ) via a simple treatment with L-ascorbic acid at room temperature. r-Ti 3 C 2 T x shows a six-fold increase in electrical conductivity, from 471 ± 49 for regular Ti 3 C 2 T x to 2819 ± 306 S m -1 for the reduced version. Additionally, we show an enhanced oxidation stability of r-Ti 3 C 2 T x as compared to regular Ti 3 C 2 T x . An examination of the surface-enhanced Raman scattering (SERS) activity reveals that the SERS enhancement factor of r-Ti 3 C 2 T x is an order of magnitude higher than that of regular Ti 3 C 2 T x . The improved SERS activity of r-Ti 3 C 2 T x is attributed to the charge transfer interaction between the MXene surface and probe molecules, re-enforced by an increased electronic density of states (DOS) at the Fermi level of r-Ti 3 C 2 T x . The findings of this study suggest that reduced MXene could be a superior choice over regular MXene, especially for the applications that employ high electronic conductivity, such as electrode materials for batteries and supercapacitors, photodetectors, and SERS-based sensors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Short- vs . long-range elastic distortion: structural dynamics of a [2 × 2] tetrairon( II ) spin crossover grid complex observed by time-resolved X-Ray crystallography

Spin crossover complexes (SCO) are among the most studied molecular switches due to their potential use in displays, sensors, actuators and memory components. A prerequisite to using these materials is the understanding of the structural changes following the spin transition at out-of-equilibrium conditions. So far, out-of-equilibrium studies in SCO solids have been focused on mononuclear complexes, though a growing number of oligonuclear SCO complexes showing cooperative effects are being reported. Here, we use time-resolved pink Laue crystallography to study the out-of-equilibrium dynamics of a [2 × 2] tetranuclear metallogrid of the form [Fe II 4 L Me 4 ](BF 4 ) 4 ·2MeCN ([L Me ] - = 4-methyl-3,5-bis{6-(2,2'-bipyridyl)}pyrazolate). The out-of-equilibrium spin state switching induced by a ps laser pulse demonstrates that the metallogrid exhibits a multi-step response similar to that reported for mononuclear complexes. Contrary to the mononuclear complexes, the metallogrid shows two types of elastic distortions at different time scales. The first is a short-range distortion that propagates over the entire Fe 4 grid complex during the ps time scale, and it is caused by the rearrangement of the coordination sphere of the photo-switching ion and the constant feedback between strongly linked metal ions. The second is a long-range distortion caused by the anisotropic expansion of the lattice during the ns time scale, observed in mononuclear materials. The structural analysis demonstrates that the long-range prevails over the short-range distortion, inducing the largest deformation of both the entire grid and the coordination sphere of each metal ion. The present study sheds light on the out-of -equilibrium dynamics of a non-cooperative oligonuclear complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Stabilizing the heavily-doped and metallic phase of MoS 2 monolayers with surface functionalization

Monolayer molybdenum disulfide (MoS 2 ) is one of the most studied two-dimensional (2D) transition metal dichalcogenides that is being investigated for various optoelectronic properties, such as catalysis, sensors, photovoltaics, and batteries. One such property that makes this material attractive is the ease in which 2D MoS 2 can be converted between the semiconducting (2H) and metallic/semi-metallic (1T/1T') phases or heavily n-type doped 2H phase with ion intercalation, strain, or excess negative charge. Using n-butyl lithium (BuLi) immersion treatments, we achieve 2H MoS 2 monolayers that are heavily n-type doped with shorter immersion times (10–120 mins) or conversion to the 1T/1T' phase with longer immersion times (6–24 h); however, these doped/converted monolayers are not stable and promptly revert back to the initial 2H phase upon exposure to air. To overcome this issue and maintain the modification of the monolayer MoS 2 upon air exposure, we use BuLi treatments plus surface functionalization p-(CH 3 CH 2 ) 2 NPh-MoS 2 (Et 2 N-MoS 2 )—to maintain heavily n-type doped 2H phase or the 1T/1T' phase, which is preserved for over two weeks when on indium tin oxide or sapphire substrates. We also determine that the low sheet resistance and metallic-like properties correlate with the BuLi immersion times. These modified MoS 2 materials are characterized with confocal Raman/photoluminescence, absorption, x-ray photoelectron spectroscopy as well as scanning Kelvin probe microscopy, scanning electrochemical microscopy, and four-point probe sheet resistance measurements to quantify the differences in the monolayer optoelectronic properties. We will demonstrate chemical methodologies to control the modified monolayer MoS 2 that likely extend to other 2D transition metal dichalcogenides, which will greatly expand the uses for these nanomaterials.

2D TMDC↗
DOE OSTI2020

FY 2019 Site-Directed Research & Development (Annual Report Overview)

This overview of the Fiscal Year 2019 Site-Directed Research & Development program and the Nevada National Security Site contains information regarding the program’s history and growth, leadership, project selection process, present areas of research, highlights of significant accomplishments and awards, noteworthy people, and performance metrics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Thermal Infrared Detectors: expanding performance limits using ultrafast electron microscopy

This project aimed to identify the performance-limiting mechanisms in mid- to far infrared (IR) sensors by probing photogenerated free carrier dynamics in model detector materials using scanning ultrafast electron microscopy (SUEM). SUEM is a recently developed method based on using ultrafast electron pulses in combination with optical excitations in a pump- probe configuration to examine charge dynamics with high spatial and temporal resolution and without the need for microfabrication. Five material systems were examined using SUEM in this project: polycrystalline lead zirconium titanate (a pyroelectric), polycrystalline vanadium dioxide (a bolometric material), GaAs (near IR), InAs (mid IR), and Si/SiO 2 system as a prototypical system for interface charge dynamics. The report provides detailed results for the Si/SiO 2 and the lead zirconium titanate systems.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Embedding Fiber Optic Sensors in Stainless Steel using Spark Plasma Sintering for Structural Health Monitoring in Harsh Environments

Embedded fiber optic sensors such as fiber Bragg gratings (FBGs) offer a unique route for distributed real-time in-situ imaging of various engineering parameters for numerous purposes. This study advanced the current sensor embedding approaches by exploring a spark plasma sintering (SPS)-assisted technology to embed FBGs in high-temperature structural materials and demonstrated the capability of temperature measurement. In this approach, single-mode FBGs were integrated into stainless steel (SS) 316L components using SPS, followed by the evaluation of the bonding quality between the FBGs and matrix, the optical attenuation of the fibers induced by embedding, and the sensing characters of the FBGs under temperature stimuli. The results demonstrated that superior bonding was achieved between the FBGs and highly-densified SS316L. Examination of the behavior of Bragg gratings validated signal fidelity after embedding. Real-time thermal imaging under temperature cycling using the FBGs demonstrated the effectiveness of the technique for smart materials manufacturing.

36 - MATERIALS SCIENCE↗
DOE OSTI2021

Characterization of Embedded Sensors in Stainless Steel Test Articles and Design/Planning for MAGNET Testing

The nuclear industry is pursuing microreactors that can be factory assembled and deployed to remote regions for reliable power generation. One class of microreactors uses a monolithic metal core block coupled to heat pipes for heat rejection, which results in significant thermal stresses in the monolithic structures. This work describes the initial characterization and test plan for evaluating stainless steel test articles fabricated with embedded sensors for measuring heat pipe performance limits, as well as spatially distributed temperatures and strains during electrically heated thermal testing. The electrically heated testing will be performed in the non-nuclear Microreactor Agile Non-Nuclear Testbed and Single Primary Heat Extraction and Removal Emulator facilities located at Idaho National Laboratory. The goals of these tests are to (1) accurately monitor temperature and strain distributions that result from differential thermal expansion in the test articles and (2) quantify heat rejection limits of heat pipes as a function of operating temperature and working fluid during steady-state and transient operations. More generally, the ability to monitor component and system health during microreactor operation is attractive for providing a high sensor density to inform a limited number of microreactor operators to ultimately reduce operation and maintenance costs and move toward semi-autonomous operation. This report discusses the characterization of embedded thermocouples and fiber optic sensors in relevant test articles, including cylindrical pipes and hexagonal monolithic test articles for heat pipe-based reactors. The sensors were embedded by placing them in machined channels and then building up additional material by using ultrasonic additive manufacturing (UAM). UAM is a solid-state welding process that uses downward pressure and a lateral scrubbing motion to bond thin metal foils to a base material layer by layer. The ultrasonic welding process relies on the plastic deformation of the metal—as opposed to typical melting and solidification—to break oxide scales and bond the metal layers. The characterization of these embedded sensors included evaluating fiber optic signal attenuation, observing residual strain in the fibers, investigating microstructural and mechanical aspects, and demonstrating the sensors under various thermal loads and acoustic vibrations. Post-embedding characterization showed a fine grain structure (<1 μm) near the interfaces of the bonded foils as a result of severe deformation from the welding process. A large increase in hardness was observed at the foil interfaces and the fiber/matrix interface compared with the bulk matrix. Even when compared with the SS304 interfaces, the higher hardness observed around the embedded fiber suggests a higher degree of deformation due to the soft metal coating around the silica fiber core. The distributed fiber-optic temperature sensors and embedded thermocouples reliably measured temperature distributions during steady-state and transient thermal testing. The embedded fiber-optic sensors reliably measured strain during both transient and steady-state testing and properly identified resonant frequencies during acoustic testing.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Resilient Hydrogels from the Nanoscale to the Macroscale

Biological systems illustrate how a material composed of fragile molecular components can collectively be highly resilient. While the average protein, cell, or even tissue may not last more than a few weeks, many animals and plants live for more than a century. Continual component regeneration and multiple systems to resist mechanical and chemical damage together make this longetivity possible. This project sought to develop biomimetic methods to enable a specific type of material, a hydrogel, to resist damage across multiple scales using distinct, modular damage protection mechanisms. Because hydrogels share many features with biological tissues, they are an ideal substrate for exploring biomimetic strategies for designing resilience and self-repair. We specifically focused in this study on DNA-crosslinked hydrogels, which contain DNA strands that can serve as material to link it together or to control its current state or properties. We investigated how new tools from dynamic DNA nanotechnology could make it possible to actively recover from damage by continually growing and forming a materials shape, or by identifying damage and directing an adaptive response to that damage involving chemical synthesis to reconstruct a structure. We developed embedded molecular sensors able to detect and strain of the gel before damage occurred and react to counteract damage. We also developed methods to continually create shapes and patterns using chemical processes that will allow those patterns to reform when they are damaged. The ability to design resilient materials capable of self-repair has important implications for materials engineering. Instead of designing a material to withstand the worst stresses it may encounter, we could instead design a material to survive under average conditions, but self-repair or reconfigure to resist impending damage. Resilient, self-repairing hydrogels will also have diverse applications such as sensors or actuators.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Optical transmission and dimensional stability of single-crystal sapphire after high-dose neutron irradiation at various temperatures up to 688 °C

The use of single-crystal sapphire optical fibers has been considered to extend fiber-optic sensing to the extreme temperature (>1000 °C) environments encountered in nuclear applications. However, before these sapphire fiber–based sensors can be deployed, their optical transmission and dimensional stability (which impacts drift of some sensors) must be characterized under representative testing conditions. Data regarding the optical transmission of sapphire following high-dose neutron irradiation at temperatures >100 °C is extremely limited. This work provides measurements of optical density (i.e., attenuation) and directional dimensional changes in bulk single-crystal sapphire materials irradiated to a fast neutron fluence of 2.4 × 10 21 n/cm 2 (3.5 displacements per atom) at temperatures ranging from 95 to 688 °C. Optical density measured after irradiation at 95 and 298 °C showed ultraviolet and visible absorption bands corresponding to known defect centers and temperature trends that were generally consistent with previous ex situ and in situ measurements made at much lower neutron fluence. However, optical density measured after irradiation at 688 °C was as much as two orders of magnitude higher, indicating that the fundamental mechanism for radiation-induced attenuation changes at this irradiation temperature. Additional analysis and comparison with previous works suggest that the attenuation may result from void formation, leading to increased Rayleigh scattering losses in the material and increased swelling that would also result in drift of Bragg grating-based sensors in sapphire fibers. These results pose serious questions regarding the feasibility of sapphire fiber–based sensors for high-temperature nuclear applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Feasibility of Lead Fast Reactor Heat Exchanger Tube Online Monitoring

Within virtually all reactor systems with heat exchangers, the thinnest barriers between primary and secondary fluids are the heat exchanger tubes. Consistent with light water reactor experience, the advanced reactor heat exchangers are the most susceptible regions for corrosion and leakage (NRC, 2019). Moreover, traditional inspections and repairs using robotics will be expensive or impractical. On-line structural health corrosion monitoring (OLSHM) is therefore desirable to detect tube degradation prior to leaks that may allow mixing of heat exchanger fluids. Rhetorically many molten salt reactor (MSR) designers plan for on-line monitoring of critical reactor components including heat exchangers but there are no proven OLSHM sensors or systems for MSR heat exchangers. Guided wave ultrasound from the tube-end or ID using conventional low-temperature piezoelectric sensors has been shown to be sensitive to pits and cracks less than 50% through-wall in long pipes and tubes (Narayanan M.M., 2019) . Mode and frequency selection are important for practical sensor design decisions and ultimate performance. The L-0 wave-mode is easily excited by L-mode transducers but they have surface normal wave motion that will be sensitive to and more attenuative because of fluid interaction with the tube surface (Rose J.L., 1994). Shear Horizontal (SH) wave modes have material motion parallel to the tube surface therefore are virtually unaffected by fluid interaction. For SH-0 to be nondispersive in steel, the frequency-thickness product (MHz-mm) must be less than approximately 1.5. SH mode transducers must be coupled by a material that can support shear stress; a thin layer of honey works well for temporary sensors and an adhesive or a brazed metallurgical bond for permanent sensors. If sensors are incorporated into the fabrication process, the same kinds of SH-0 waves can be generated from the stagnant flow area of the tube OD without compromising the heat-exchange tube function. Piezoelectric materials are also available that can withstand harsh temperatures of molten salt heat exchangers (Stevenson T., 2015) (Machura et al., 2008). Though they may not have as high-performance characteristics, their performance only needs to be good enough to detect flaws of interest. This project attempts to demonstrate feasibility to develop a sensor that can be sensitive to flaws of interest and perform long-term monitoring of a molten salt reactor heat exchanger. Benefits to the advanced reactor system include: • Minimizing the expense of a reactor shut down for periodic inspection—only shutdown for cause. • Reduce risk of unexpected tube rupture by detecting flaws before they grow to through-wall leaks. • Cost reduction by minimizing need to design for manual/robotic inspectability. Transducer design, characterization of the beam profile, wedges vs. direct application of piezoelectric sensors, and ultrasonic pulse-echo responses from a representative heat exchange tube with fabricated flaw types are discussed.

On-Line Tube Monitor, Guided Wave Ultrasound, SH-0↗
DOE OSTI2020

Progress Toward Molten Salt Reactor Heat Exchanger On-Line Monitoring

Within virtually all reactor systems with heat exchangers, the thinnest barriers between primary and secondary fluids are the heat exchanger tubes. Consistent with light water reactor experience, the advanced reactor heat exchangers are the most susceptible regions for corrosion and leakage (NRC, 2019). Moreover, traditional inspections and repairs using robotics will be expensive or impractical. On-line structural health corrosion monitoring (OLSHM) is therefore desirable to detect tube degradation prior to leaks that may allow mixing of heat exchanger fluids. Rhetorically many molten salt reactor (MSR) designers plan for on-line monitoring of critical reactor components including heat exchangers but there are no proven OLSHM sensors or systems for MSR heat exchangers. Guided wave ultrasound from the tube-end or ID using conventional low-temperature piezoelectric sensors has been shown to be sensitive to pits and cracks less than 50% through-wall in long pipes and tubes (Narayanan M.M., 2019) . Mode and frequency selection are important for practical sensor design decisions and ultimate performance. The L-0 wave-mode is easily excited by L-mode transducers but they have surface normal wave motion that will be sensitive to and more attenuative because of fluid interaction with the tube surface (Rose J.L., 1994). Shear Horizontal (SH) wave modes have material motion parallel to the tube surface therefore are virtually unaffected by fluid interaction. For SH-0 to be nondispersive in steel, the frequency-thickness product (MHz-mm) must be less than approximately 1.5. SH mode transducers must be coupled by a material that can support shear stress; a thin layer of honey works well for temporary sensors and an adhesive or a brazed metallurgical bond for permanent sensors. If sensors are incorporated into the fabrication process, the same kinds of SH-0 waves can be generated from the stagnant flow area of the tube OD without compromising the heat-exchange tube function. Piezoelectric materials are also available that can withstand harsh temperatures of molten salt heat exchangers (Stevenson T., 2015) (Machura et al., 2008). Though they may not have as high-performance characteristics, their performance only needs to be good enough to detect flaws of interest. This project attempts to demonstrate feasibility to develop a sensor that can be sensitive to flaws of interest and perform long-term monitoring of a molten salt reactor heat exchanger. Benefits to the advanced reactor system include: • Minimizing the expense of a reactor shut down for periodic inspection—only shutdown for cause. • Reduce risk of unexpected tube rupture by detecting flaws before they grow to through-wall leaks. • Cost reduction by minimizing need to design for manual/robotic inspectability. Transducer design, characterization of the beam profile, and ultrasonic pulse-echo responses from a representative heat exchange tube with fabricated flaw types are discussed.

On-Line Tube Monitor, Guided Wave Ultrasound, SH-0↗
DOE OSTI2020

Distributed fibre-optic temperature sensor for cryogenic applications based on detection of boson components of Raman light scattering

The possibility of designing a distributed fibre-optic sensor, allowing one to measure cryogenic temperatures (to liquid nitrogen boiling point), is experimentally demonstrated. The principle of operation of the sensor is based on measuring the intensity of boson peaks of Raman scattering in a fibre material, which are spaced by 1 to 3 THz from the probe frequency. The measurements are performed using a single-mode telecommunication fibre with a 15-μm-thick polyimide coating. The probe wavelength is 1.55 μm, the sensor spatial resolution is 4 m, and the averaging time is 60 s. Experiments are carried out in the temperature range of 75.6 – 79.6 K, with a temperature resolution of 0.5 K. (paper)

36 MATERIALS SCIENCE↗
DOE OSTI2021

First Annual Report on Development of Microwave Resonant Cavity Transducer for Fluid Flow Sensing: Development of Sensor Performance Model of Microwave Cavity Flow Meter for Advanced Reactor High Temperature Fluids

We are investigating a microwave cavity-based transducer for in-core high-temperature fluid flow sensing in molten salt cooled reactors (MSCR) and sodium fast reactors (SFR). This sensor is a hollow metallic cylindrical cavity, which can be fabricated from stainless steel, and as such is expected to be resilient to radiation, high temperature and corrosive environment of MSCR and SFR. The principle of sensing consists of making one wall of the cylindrical cavity flexible enough so that dynamic pressure, which is proportional to fluid velocity, will cause membrane deflection. Membrane deflection causes cavity volume change, which leads to a shift in the resonant frequency. Feasibility of the sensor was initially investigated with analytical derivations and with COMSOL RF Module computer simulations of resonant frequency spectral shift due to uniform load. We also investigated the mechanical integrity of the flowmeter’s membrane through analytical modelling and COMSOL Structural Mechanics Module computer simulations. Both the analytic model and COMSOL model showed that maximum stresses on the plate, which are at the radial boundary of the plate, are three orders of magnitude smaller than the material’s yield strength and ultimate tensile strength. This indicates that the sensor is at a low risk of mechanical failure. Using results from models, we have developed an initial design for a microwave K-band sensor. A cylindrical resonator prototype was fabricated from brass for the initial tests. The external dimensions of the cavity are matched to the flange of a standard WR-42 waveguide. Microwave field is coupled into the resonant cavity through a subwavelength-size aperture. A test article was developed consisting of a piping Tee with a bulkhead WR-42 microwave waveguide installed in a leak-proof assembly. A microwave waveguide circulator was installed in the setup to suppress the effect of reflections at the cavity entrance by increasing the isolation between the input and the output port. Preliminary spectral characterization of cavity spectral response was performed with a portable PXIe chassis microwave VNA with a custom GUI. Preliminary dry tests of the transducer response were conducted with a set of calibrated weights. Transducer frequency shift was shown to be monotonically increasing with increasing pressure. The next steps will involve investigation of the transducer performance for water flow sensing.

42 ENGINEERING↗
DOE OSTI2022

Considerations of Radiation-Hardened Electronics for Alpha Detectors in Molten Salt Reactors

Along with advanced generations of reactors quickly becoming reality, the need for instrumentation to provide reliable information for their safety and operation is also becoming relevant. Instrumentation-wise, molten salt reactors (MSRs) represent an especially challenging case in which detectors must survive extreme temperatures, high amounts of radiation, and a highly corrosive coolant. Adding to the complexity, tight material control and accounting must be maintained with any special nuclear material (SNM), a practice made more difficult by the nature of a loop of flowing fuel. Alpha spectroscopy offers a unique window into investigating the isotopic concentrations of actinides within just such a molten salt environment. The characteristic α emissions of specific actinide isotopes in the salt enable quantification of their concentrations. Semiconductor devices based on wide bandgap materials such as silicon carbide and gallium oxide can withstand the extreme temperatures within MSRs and offer good chemical stability with the corrosive salt. Collaborators at The Ohio State University are fabricating and testing a β gallium oxide α particle sensor that could identify actinide concentrations within the fuel salt to help improve the material control and accounting required for complicated system inherent to MSRs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

Solvent–Solvent Correlations across Graphene: The Effect of Image Charges

Wetting experiments show pure graphene to be weakly hydrophilic, but its contact angle (CA) also reflects the character of the supporting material. Measurements and Molecular Dynamics simulations on suspended and supported graphene often reveal a CA reduction due to the presence of the supporting substrate. A similar reduction is consistently observed when graphene is wetted from both sides. The effect has been attributed to transparency to molecular interactions across the graphene sheet, however, the possibility of substrate-induced graphene polarization has also been considered. Computer simulations of CA on graphene have so far been determined by ignoring the material’s conducting properties. We improve the graphene model by incorporating its conductivity according to the Constant Applied Potential Molecular Dynamics. Using this method, we compare the wettabilities of suspended graphene and graphene supported by water by measuring the CA of cylindrical water drops on the sheets. The inclusion of graphene conductivity and concomitant polarization effects lead to a lower CA on suspended graphene but the CA reduction is significantly bigger when the sheets are also wetted from the opposite side. The stronger adhesion is accompanied by a profound change in the correlations among water molecules across the sheet. While partial charges on water molecules interacting across an insulator sheet attract charges of the opposite sign, apparent attraction among like charges is manifested across the conducting graphene. The change is associated with graphene polarization, as the image charges inside the conductor attract equally signed partial charges of water molecules on both sides of the sheet. Additionally, by using a non-polar liquid (diiodomethane), we affirm a detectable wetting translucency when liquid-liquid forces are dominated by dispersive interactions. Furthermore, our findings are important for predictive modeling toward a variety of applications including sensors, fuel cell membranes, water filtration, and graphene-based electrode materials in high-performance supercapacitors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Transformation of TiN to TiNO Films via In-Situ Temperature-Dependent Oxygen Diffusion Process and Their Electrochemical Behavior

Titanium oxynitride (TiNO) thin films represent a multifaceted material system applicable in diverse fields, including energy storage, solar cells, sensors, protective coatings, and electrocatalysis. This study reports the synthesis of TiNO thin films grown at different substrate temperatures using pulsed laser deposition. A comprehensive structural investigation was conducted by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Non-Rutherford backscattering spectrometry (N-RBS), and X-ray absorption spectroscopy (XAS), which facilitated a detailed analysis that determined the phase, composition, and crystallinity of the films. Structural control was achieved via temperature-dependent oxygen in-diffusion, nitrogen out-diffusion, and the nucleation growth process related to adatom mobility. The XPS analysis indicates that the TiNO films consist of heterogeneous mixtures of TiN, TiNO, and TiO2 phases with temperature-dependent relative abundances. The correlation between the structure and electrochemical behavior of the thin films was examined. The TiNO films with relatively higher N/O ratio, meaning less oxidized, were more electrochemically active than the films with lower N/O ratio, i.e., more oxidized films. Films with higher oxidation levels demonstrated enhanced crystallinity and greater stability under electrochemical polarization. These findings demonstrate the importance of substrate temperature control in tailoring the properties of TiNO film, which is a fundamental part of designing and optimizing an efficient electrode material.

Cherono, Sheilah↗
DOE OSTI2026

FY26 Mid-Year Report

The goal of this project is to develop specific aspects of ultra-high-resolution microcalorimeter technologies that support IAEA Nuclear Material Laboratory needs and the goals of SP-1 19/NML-003 "Microcalorimetry Analysis Technique for NML" but are outside the scope of the SP-1. The focus is on commissioning, assembly, and testing of the microcalorimeter decay energy spectrometer with superconducting transition-edge sensors (TESs) and magnetic microcalorimeters (MMCs) in preparation for transfer to the IAEA Nuclear Material Laboratory.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗