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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Redox-Induced Microstructure and Phase Dynamics in Nickel: Insights from In Situ Synchrotron X-ray Diffraction

Using in situ synchrotron X-ray diffraction, we interrogate the microstructural and phase evolution of polycrystalline nickel (Ni) during redox cycling in O 2 , H 2 , and H 2 O environments. Oxidation in O 2 promotes strong (111) texturing in both the NiO overlayer and the underlying Ni substrate. However, this crystallographic alignment is lost following reduction in H 2 and subsequent reoxidation, demonstrating irreversible microstructural changes. H 2 exposure leads to proton dissolution into the Ni lattice, triggering a localized phase transition from face-centered cubic (FCC) to hexagonal close-packed (HCP) Ni in hydrogen-saturated regions. In H 2 O-containing atmospheres, dissociative H 2 O adsorption produces protons that permeate the NiO layer, forming γ-NiOOH within the NiO lattice and HCP Ni beneath the NiO overlayer as protons accumulate. Kinetic analysis via the Johnson-Mehl-Avrami–Kolmogorov model uncovers distinct growth mechanisms: preoxidized Ni surfaces follow one-dimensional (1D) kinetics for NiO, γ-NiOOH, and HCP growth, whereas pristine Ni exhibits three-dimensional (3D) kinetics due to island-like nucleation and growth of NiO. Furthermore, these results highlight the critical interplay between H 2 O dissociation, hydrogen permeation, and redox-driven phase transformations, with practical implications in engineering nickel-based catalysts and hydrogen storage systems through controlled microstructural and phase evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Generation and Control of Self-Organized Nonlinear Kinetic Structures in High Energy Density Plasmas in the Presence of Intense Magnetic Fields and Ultrashort Laser Pulses

In the project we investigated mechanisms to sculpt phase space by controlling plasma instabilities. We found that linear theory, which applies in the initial growth phase of an instability, allows for initial conditions that can suppress instabilities. This provides a possible mechanism to release the energy available to an instability on demand. We developed various computational techniques that can reduce computational cost of simulations while maintaining or improving physical fidelity. We considered the Buneman instability in the presence of a ponderomotively driven plasma wave to examine the interplay between an instability and steady-state plasma response.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Spin wave interference detection via inverse spin Hall effect

Here, in this Letter, we present experimental data that demonstrate a spin wave interference detection using an inverse spin Hall effect (ISHE). Two coherent spin waves are excited in a yttrium-iron garnet waveguide by continuous microwave signals. The initial phase difference between the spin waves is controlled by the external phase shifter. The ISHE voltage is detected at a distance of 2 and 4 mm away from the spin wave generating antennas by an attached Pt layer. Experimental data show ISHE voltage oscillation as a function of the phase difference between the two interfering spin waves. This experiment demonstrates an intriguing possibility of using ISHE in a spin wave logic circuit converting a spin wave phase into an electric signal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

ATRP Enhances Structural Correlations In Polymerization–Induced Phase Separation**

Synthetic methods to control the structure of materials at sub–micron scales are typically based on the self–assembly of structural building blocks with precise size and morphology. On the other hand, many living systems can generate structure across a broad range of length scales in one step directly from macromolecules, using phase separation. Here, we introduce and control structure at the nano– and microscales through polymerization in the solid state, which has the unusual capability of both triggering and arresting phase separation. In particular, we show that atom transfer radical polymerization (ATRP) enables control of nucleation, growth, and stabilization of phase–separated poly–methylmethacrylate (PMMA) domains in a solid polystyrene (PS) matrix. ATRP yields durable nanostructures with low size dispersity and high degrees of structural correlations. Furthermore, we demonstrate that the length scale of these materials is controlled by the synthesis parameters.

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

Diffusion-to-Imbibition Transition in Water Sorption in Nanoporous Media: Theoretical Studies

The ability to predict multiphase fluid transport in nanoporous rocks such as shales is critical for many geoscience applications, for example unconventional hydrocarbon production, geologic carbon sequestration, and nuclear waste disposal. When the pore sizes approach nanoscales, the impact of the molecular interaction forces between fluids and solids becomes increasingly important. These forces can alter macroscopic fluid phase behavior and control transport. Recent experimental studies have shown that capillary condensation and subsequent imbibition of liquid water can occur in hydrophilic nanoporous media even if the vapor phase is at a critical relative humidity (rhcrit) well below vapor saturation. This study presents a theoretical investigation of the processes controlling adsorption, capillary condensation and imbibition in nanoporous media, using the square-gradient classical density functional theory. The proposed theoretical model explicitly includes the relevant interaction forces among fluids and solids in macroscopic porous media. Application of the model to a relative-humidity-controlled water adsorption experiment is presented to demonstrate the impact of water-pore wall attractive forces on multiphase water behavior in a hydrophilic silicon nanoporous medium. Here, the model represents well the measured time-dependent evolution of the water imbibition front inside the nanoporous medium and also explains the diffusion-like water transport regimes observed at rh < rh crit and the imbibition-like flow regimes observed at rh > rh crit . The study furthermore gives an insight on hysteresis phenomenon in adsorption and desorption isotherms.

58 GEOSCIENCES↗
DOE OSTI2020

Backscatter-Immune Injection-Locked Brillouin Laser in Silicon

As self-sustained oscillators, lasers possess the unusual ability to spontaneously synchronize. These nonlinear dynamics are the basis for a simple yet powerful stabilization technique known as injection locking, in which a laser’s frequency and phase can be controlled by an injected signal. Because of its inherent simplicity and favorable noise characteristics, injection locking has become a workhorse for coherent amplification and high-fidelity signal synthesis in applications ranging from precision atomic spectroscopy to distributed sensing. Within integrated photonics, however, these injection-locking dynamics remain relatively untapped—despite significant potential for technological and scientific impact. In this work, we demonstrate injection locking in a silicon photonic Brillouin laser. Injection locking of this monolithic device is remarkably robust, allowing us to tune the laser emission by a significant fraction of the Brillouin gain bandwidth. Harnessing these dynamics, we demonstrate amplification of small signals by more than 23 dB. Moreover, we demonstrate that the injection-locking dynamics of this system are inherently nonreciprocal, yielding unidirectional control and backscatter immunity in an all-silicon system. This device physics opens the door to strategies for phase-noise reduction, low-noise amplification, and backscatter immunity in silicon photonics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Materials Characterization, Prediction, and Control Project: Characterization of 316L Stainless Steel after Solid Phase Processing using Ultrasonic NDE Method

The Pacific Northwest National Laboratory undertook the Materials Characterization, Prediction, and Control Laboratory Directed Research and Development Project to advance understanding of nuclear material processing and enable multifold acceleration in the development and qualification of new material systems produced via advanced manufacturing methods, such as solid phase processing, for use in national security and advanced energy applications (Smith 2021). A motivation of the Materials Characterization, Prediction, and Control Project was to demonstrate ultrasonic testing as a nondestructive evaluation method to complement traditional destructive methods for characterizing material microstructure with emphasis on grain size determination using a method that may have future applications for real-time inline process monitoring. The objective of the work described in this report is to establish the process and an analysis method for measuring grain sizes of polycrystalline metals with ultrafine grains using ultrasonic shear wave backscattering, building on prior studies on coarser-grained material. The work involves five tasks: Measured ultrasonic backscattering experimentally for a series of 316L stainless steel specimens with various grain sizes made by friction stir processing. Calculated ultrasonic backscattering coefficients from experimental data based on a physical measurement model. Measured ground truth grain sizes of the specimens from electron backscatter diffraction grain boundary images using a generalization of the ASTM E112 (ASTM 2021) intercept method. Built a curve of ultrasonic backscattering coefficients versus the ground truth intercept-based grain sizes to determine the correlation between mean grain sizes and ultrasonic measurements. Demonstrated the ability of using the correlation curve to deduce grain sizes with measured ultrasonic backscattering coefficients for a few 316L stainless steel specimens whose grain sizes were unknown beforehand but were targeted to be an extrapolation to larger grain sizes than used to formulate the correlation curves. Experimental procedures and computational algorithms are developed and validated for these tasks. This work establishes an ultrasonic technique for characterizing material microstructure with ultrafine grains that are often resulted by solid-phase processing. The technique is nondestructive, and it has the potential to be used for real time inline process monitoring. This work successfully demonstrates the viability of an ultrasonic nondestructive evaluation method for microstructural characterization of material having ultrafine grain structure (as small as 1?mm) and produced by an advanced manufacturing method. This includes a demonstration of the method to extrapolate to other conditions. While not demonstrated here, the method is expected to be viable for in-line, or near-inline, process monitoring in advanced manufacturing applications with suitable consideration for access of instrumentation to the material being manufactured.

316 L Stainless Steel↗
DOE OSTI2023

Resilient Inverter-Driven Black Start with Collective Parallel Grid-Forming Operation

As modern power systems are experiencing exceptional changes with increasing penetrations of inverter-based resources (IBRs), system restoration using IBRs has received attention. Using local grid-forming (GFM) assets near consumers, engineered to establish grid voltages in the absence of a stiff grid, i.e., bottom-up restoration, a distribution system could obtain high system resilience by not relying on the bulk power system restoration, which requires significant human intervention and procedure. This paper studies the technical feasibility of the novel approach with detailed electromagnetic transient (EMT) simulations. To thoroughly evaluate the potential of GFM inverters and the technical challenges in IBR-driven black start, a detailed three-phase inverter model is developed, including negative-sequence control for voltage balance and a phase-by- phase current limiter to sustain momentary overloading during the black start. To examine dynamic aspects of the black-start process, the EMT simulation also models transformer and motor dynamics to emulate their inrush and startup behaviors as well as network dynamics. In addition, active involvement of grid- following distributed energy resources is also studied to facilitate the black-start process. By allowing multiple GFM inverters to collectively black start without leader-follower coordination, we demonstrate that a system can achieve high resilience even with a fraction of assets lost. Two test cases of inverter-driven black start, using two and one GFM inverters, respectively, for a heavily unbalanced 2-MVA distribution feeder are demonstrated. Takeaways for further study and field deployment are provided.

grid-forming inverter↗
DOE OSTI2022

Resilient Inverter-Driven Black Start with Collective Parallel Grid-Forming Operation: Preprint

As the modern power systems are experiencing exceptional changes with increasing penetration of inverter-based resources (IBRs), system restoration using IBRs has received attention. Using local grid-forming (GFM) assets near consumers, engineered to establish grid voltages in the absence of a stiff grid, i.e., bottom-up restoration, a distribution system would obtain high system resilience, by not relying on the bulk power system restoration requiring significant human intervention and procedure to restore. This paper studies the technical feasibility of the novel approach with detailed electromagnetic transient (EMT) simulations. To thoroughly evaluate the potential of GFM inverters and technical challenges in IBR-driven black start, a detailed three-phase inverter model is developed, including negative-sequence control for voltage balance and a phase-by-phase current limiter to sustain momentary overloading during the black start. To examine dynamic aspects of the black start process, the EMT simulation also models transformer and motor dynamics to emulate their inrush and start-up behaviors as well as network dynamics. In addition, active involvement of grid-following distributed energy resources (DER) is also studied to facilitate the black start process. It is shown that, by allowing multiple GFM inverters to collectively black start without master-slave coordination, a system can achieve high resilience even with a fraction of assets lost. Two test cases of inverter-driven black start using two and one GFM inverters, respectively, for a heavily unbalanced 2-MVA distribution feeder are demonstrated. Takeaways for further study and field deployment are provided.

grid-forming inverter↗
DOE OSTI2025

Reactive Carbide‐Based Synthesis and Microstructure of NASICON Sodium Metal All Solid‐State Electrolyte

Reactive carbide precursor-based synthesis of NASICON-type NZSP (Na 1+x Zr 2 Si x P 3-x O 12 ) solid-state electrolyte (SSE) is demonstrated, in contrast to the established oxide-based approach. Exothermic decomposition of ZrC and SiC in air homogenizes microstructure, yielding 98% compact density after conventional sintering at 1200 °C. Quantitative stereology demonstrates that significant microstructural differences are present. Compacts of carbide-derived Carb-NZSP are 98% dense with a secondary zirconium oxide (ZrO 2 ) volume fraction of 0.2% ± 0.3%, versus 93% dense and 3% ± 1% for oxide-derived baseline. For Carb-NZSP, the secondary glassy phosphate phase is agglomerated, while for baseline, it is dispersed and percolated. Electrochemical testing combined with post-mortem analysis demonstrates how microstructural control of secondary phases is critical for dendrite suppression: Carb-NZSP critical current density (CCD) is 3.1 ± 0.8 mA cm −2 at 0.1 mAh cm −2 , versus 1.0 ± 0.7 mA cm −2 at 0.1 mAh cm −2 . Cryogenic focused ion beam (cryo-FIB) analysis demonstrates that in both materials, the porous 2D sheet-like sodium metal dendrites propagate around and subsume NZSP grains, likely following a path enriched with glassy phase and with porosity. Dendrites also flow around isolated zirconia particles. Phase field simulation reveals deflection of dendrites by mechanically tough zirconia, while brittle glassy phase accelerates dendrite growth, especially when finely distributed.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Magnetic field dependence of the spin fluctuations in CeCu 5.8 ⁢Ag 0.2

Quantum phase transitions are among the most intriguing phenomena that can occur when the electronic ground state of correlated metals are tuned by external parameters such as pressure, magnetic field, or chemical substitution. Such transitions between distinct states of matter are driven by quantum fluctuations, and can give rise to macroscopically coherent phases that are at the forefront of condensed matter research. However, the nature of the critical fluctuations, and thus the fundamental physics controlling many quantum phase transitions, remain poorly understood in numerous strongly correlated metals. Here we study the model material CeCu 5.8⁢ Ag 0.2 to gain insight into the implications of critical fluctuations originating from different regions in reciprocal space. By employing an external magnetic field along the crystallographic 𝑎 and 𝑐 axis as auxiliary tuning parameter, we observe a pronounced anisotropy in the suppression of the quantum critical fluctuations, reflecting the spin anisotropy of the long-range ordered ground state at larger silver concentration. Coupled with the temperature dependence of the quantum fluctuations, these results suggest that the quantum phase transition in CeCu 5.8⁢ Ag 0.2 is driven by three-dimensional spin-density wave fluctuations.

Boraley, Xavier [Paul Scherrer Inst. (PSI), Villig↗
DOE OSTI2021

The pervasive impact of critical fluctuations in liquid–liquid extraction organic phases

Liquid-liquid extraction is an essential chemical separation technique where polar solutes are extracted from an aqueous phase into a nonpolar organic solvent by amphiphilic extractant molecules. A fundamental limitation to the efficiency of this important technology is third phase formation, wherein the organic phase splits upon sufficient loading of polar solutes. The nanoscale drivers of phase splitting are challenging to understand in the complex hierarchically structured organic phases. In this study, we demonstrate that the organic phase structure and phase behavior are fundamentally connected in a way than can be understood with critical phenomena theory. For a series of binary mixtures of trialkyl phosphate extractants with linear alkane diluents, we combine small angle x-ray scattering and molecular dynamics simulations to demonstrate how the organic phase mesostructure over a wide range of compositions is dominated by critical concentration fluctuations associated with the critical point of the third phase formation phase transition. These findings reconcile many longstanding inconsistencies in the literature where small angle scattering features, also consistent with such critical fluctuations, were interpreted as reverse micellar-like particles. Altogether, this study shows how the organic phase mesostructure and phase behavior are intrinsically linked, deepening our understanding of both and providing a new framework for using molecular structure and thermodynamic variables to control mesostructure and phase behavior in liquid-liquid extraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Reversible Electrochemical Phase Change in Monolayer to Bulk-like MoTe 2 by Ionic Liquid Gating

Transition-metal dichalcogenides (TMDs) exist in various crystal structures with semiconducting, semi-metallic, and metallic properties. The dynamic control of these phases is of immediate interest for next-generation electronics such as phase change memories. Of the binary Mo and W-based TMDs, MoTe 2 is attractive for electronic applications because it has the lowest energy difference (40 meV) between the semiconducting (2H) and semi-metallic (1T') phases, allowing for MoTe 2 phase change by electrostatic doping. Here, we report phase change between the 2H and 1T' polymorphs of MoTe 2 in thicknesses ranging from the monolayer to bulk-like case (73 nm) using an ionic liquid electrolyte at room temperature and in air. We find consistent evidence of a partially reversible 2H-1T' transition using in situ Raman spectroscopy where the phase change occurs in the topmost layers of the MoTe 2 flake. We find a thickness-dependent transition voltage where higher voltages are necessary to drive the phase change for thicker flakes. We also show evidence of electrochemical activity during the gating process by observation of Te metal formation. This finding suggests the formation of Te vacancies which have been reported to lower the energy difference between the 2H and 1T' phases, potentially aiding the phase change process. Furthermore, our discovery that the phase change can be achieved on the surface layer of bulk-like materials reveals that this electrochemical mechanism does not require isolation of a single layer and the effect may be more broadly applicable than previously thought.

2d materials↗
DOE OSTI2022

Tailoring Negative Thermal Expansion via Tunable Induced Strain in La–Fe–Si-Based Multifunctional Material

Zero thermal expansion (ZTE) composites are typically designed by combining positive (PTE) with negative thermal expansion (NTE) materials acting as compensators and have many diverse applications, including in high-precision instrumentation and biomedical devices. La(Fe 1-x ,Si x )13-based compounds display several remarkable properties, such as giant magnetocaloric effect and very large NTE at room-temperature. Both are linked via strong magnetovolume coupling, which leads to sharp magnetic and volume changes occurring simultaneously across first-order phase transitions; the abrupt nature of these changes makes them unsuitable as thermal expansion compensators. To make these materials more useful practically, the mechanisms controlling the temperature over which this transition occurs and the magnitude of contraction need to be controlled. In this work, ball-milling was used to decrease particles and crystallite sizes and increase the strain in LaFe 11.9 Mn 0.27 Si 1.29 H x alloys. Such size and strain tuning effectively broadened the temperature over which this transition occurs. The material’s NTE operational temperature window was expanded, and its peak was suppressed by up to 85%. This work demonstrates that induced strain is the key mechanism controlling these materials’ phase transitions. This allows the optimization of their thermal expansion towards room-temperature ZTE-applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Impact of particle arrays on phase separation composition patterns

We examine the symmetry-breaking effect of fixed constellations of particles on the surface-directed spinodal decomposition of binary blends in the presence of particles whose surfaces have a preferential affinity for one of the components. Our phase-field simulations indicate that the phase separation morphology in the presence of particle arrays can be tuned to have a continuous, droplet, lamellar, or hybrid morphology depending on the interparticle spacing, blend composition, and time. In particular, when the interparticle spacing is large compared to the spinodal wavelength, a transient target pattern composed of alternate rings of preferred and non-preferred phases emerges at early times, tending to adopt the symmetry of the particle configuration. We reveal that such target patterns stabilize for certain characteristic length, time, and composition scales characteristic of the pure phase-separating mixture. To illustrate the general range of phenomena exhibited by mixture-particle systems, we simulate the effects of single-particle, multi-particle, and cluster–particle systems having multiple geometrical configurations of the particle characteristic of pattern substrates on phase separation. Our simulations show that tailoring the particle configuration, or substrate pattern configuration, a relative fluid-particle composition should allow the desirable control of the phase separation morphology as in block copolymer materials, but where the scales accessible to this approach of organizing phase-separated fluids usually are significantly larger. Limited experiments confirm the trends observed in our simulations, which should provide some guidance in engineering patterned blend and other mixtures of technological interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Interference Control of Fano Resonances and Dynamical Imaging of an Electron Wave Packet

The Fano line shape, arising from the interference of pathways for the excitation of discrete and continuum states, plays a fundamental role in many branches of physics, chemistry, and materials science. Exciting the resonance with a high harmonic provides naturally a phase delay between the pathways leading to a complex asymmetry parameter. We demonstrate that its amplitude and phase can be controlled on the femtosecond and attosecond time scales, respectively. With our high-energy-resolution (10-meV) experiment, we dynamically image a resonance-enhanced electron wave packet during its temporal evolution, extracting both the amplitude and the phase. Calculations reproduce our experimental results. Our approach constitutes a method for measuring the photoionization delays of a resonance and enables the reconstruction of the electron wave packet in the time domain. This concept of an interference-controlled Fano line shape is a step toward attosecond quantum optics with potential ramifications into nanoscience and next-generation optical materials.

Han, Meng [ETH Zürich (Switzerland); Kansas State ↗
DOE OSTI2026

Demonstration of a Novel Phase-Space Painting Method in a Coupled Lattice to Mitigate Space Charge in High-Intensity Hadron Beams

Multiturn charge-exchange injection is the primary method of creating high-intensity hadron beams in circular accelerators, and phase space painting during injection enables tailoring of the accumulated phase space distribution. A technique we call eigenpainting allows injection of particles into a single mode of a coupled ring, providing full four-dimensional control of the phase space distribution. Under ideal conditions, uniform eigenpainting generates a linear-force equilibrium distribution in the transverse plane, with zero volume in four-dimensional transverse phase space, even including space charge. Here, we have implemented eigenpainting for the first time in the spallation neutron source accumulator ring. Injecting 8.8 μ⁢C of an 800 MeV beam, we obtain a final ratio of intrinsic transverse emittances of ≈2.4. We analyze the effect of space charge on the final distribution through comparison of the reconstructed phase space to particle-in-cell simulations.

Evans, Nicholas J. [Oak Ridge National Laboratory ↗