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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Designs for scalable construction of hybrid quantum photonic cavities

Nanophotonic resonators are central to numerous applications, from efficient spin–photon interfaces to laser oscillators and precision sensing. A leading approach consists of photonic crystal (PhC) cavities, which have been realized in a wide range of dielectric materials. However, translating proof-of-concept devices into a functional system entails a number of additional challenges, inspiring new approaches that combine resonators with wavelength-scale confinement and high quality factors; scalable integration with integrated circuits and photonic circuits; electrical or mechanical cavity tuning; and, in many cases, a need for heterogeneous integration with functional materials such as III–V semiconductors or diamond color centers for spin–photon interfaces. Here we introduce a concept that generates a finely tunable PhC cavity at a selected wavelength between two heterogeneous optical materials whose properties satisfy the above requirements. The cavity is formed by stamping a hard-to-process material with simple waveguide geometries on top of an easy-to-process material consisting of dielectric grating mirrors and active tuning capability. We simulate our concept for the particularly challenging design problem of multiplexed quantum repeaters based on arrays of cavity-coupled diamond color centers, achieving theoretically calculated unloaded quality factors of 106, mode volumes as small as 1.2(λ/neff)3, and maintaining >60% total on-chip collection efficiency of fluorescent photons. We further introduce a method of low-power piezoelectric tuning of these hybrid diamond cavities, simulating optical resonance shifts up to ∼760 GHz and color center fluorescence tuning of 5 GHz independent of cavity tuning. These results will motivate integrated photonic cavities toward larger scale systems-compatible designs.

Greenspon, Andrew S. (ORCID:0000000296317568)↗
DOE OSTI2025

Electrical Transport Interplay with Charge Density Waves, Magnetization, and Disorder Tuned by 2D van der Waals Interface Modification via Elemental Intercalation and Substitution in ZrTe 3 , 2H-TaS 2 , and Cr 2 Si 2 Te 6 Crystals

Electrical transport in 2D materials exhibits unique behaviors due to reduced dimensionality, broken symmetries, and quantum confinement. It serves as both a sensitive probe for the emergence of coherent electronic phases and a tool to actively manipulate many-body correlated states. Exploring their interplay and interdependence is crucial but remains underexplored. This review integratively cross-examines the atomic and electronic structures and transport properties of van der Waals-layered crystals ZrTe 3 , 2H-TaS 2 , and Cr 2 Si 2 Te 6 , providing a comprehensive understanding and uncovering new discoveries and insights. A common observation from these crystals is that modifying the atomic and electronic interface structures of 2D van der Waals interfaces using heteroatoms significantly influences the emergence and stability of coherent phases, as well as phase-sensitive transport responses. In ZrTe 3 , substitution and intercalation with Se, Hf, Cu, or Ni at the 2D vdW interface alter phonon–electron coupling, valence states, and the quasi-1D interface Fermi band, affecting the onset of CDW and SC, manifested as resistance upturns and zero-resistance states. We conclude here that these phenomena originate from dopant-induced variations in the lattice spacing of the quasi-1D Te chains of the 2D vdW interface, and propose an unconventional superconducting mechanism driven by valence fluctuations at the van Hove singularity, arising from quasi-1D lattice vibrations. Short-range in-plane electronic heterostructures at the vdW interface of Cr 2 Si 2 Te 6 result in a narrowed band gap. The sharp increase in in-plane resistance is found to be linked to the emergence and development of out-of-plane ferromagnetism. The insertion of 2D magnetic layers such as Mn, Fe, and Co into the vdW gap of 2H-TaS 2 induces anisotropic magnetism and associated transport responses to magnetic transitions. Overall, 2D vdW interface modification offers control over collective electronic behavior, transport properties, and their interplays, advancing fundamental science and nanoelectronic devices.

2D van der Waals interfaces↗
NASA NTRS1984

Convection-induced distortion of a solid-liquid interface

Measurements of convective flow fields and solid-liquid interface shapes during the solidification of a pure and a slightly alloyed transparent material reveal that the convective transport of solute can cause a macroscopic depression to develop in the solid-liquid interface. This effect occurs under conditions close to those which are predicted to produce morphological instability of a planar interface. A cellular or dendritic microstructure later develops within the interface depression. The convection is attributed to the effect of radial temperature gradients in the crystal growth apparatus.

Schaefer, R. J.↗
NASA NTRS1994

Nondestructive Characterization of Adhesive Bonds from Guided Wave Data

The critical role played by interface zones in the fracture and failure of composites and other bonded materials is well known. The existing nondestructive evaluation methods are generally not capable of yielding useful quantitative information of the strength of an interface.

developed adhesively bonded joints↗
DOE OSTI2025

Intermetallic phase formation in Al-Si-Zr alloys during hot isostatic pressing revealed by experiments and molecular dynamics

Understanding phase transformations at alloy interfaces is critical for the design of advanced structural materials. Here, in this study, we investigate the formation mechanisms of the Al 2 SiZr intermetallic phase in the Al-Si-Zr system under hot isostatic pressing (HIP) using molecular dynamics (MD) simulations and thermodynamic analysis. A unique aspect of our approach in MD involves the replacement of a disordered Al 2 SiZr stoichiometry with an ordered phase at the Al-Zr interface once HIP results in the desired Al 2 SiZr stoichiometry, allowing us to compute the total energetic cost of transformation by accounting for both formation energies and diffusion barriers. Diffusion coefficients and activation energies, extracted across a range of temperatures, reveal that HIP substantially enhances atomic mobility, creating favorable stoichiometry for phase evolution. Our results show that Al 2 SiZr phase formation is kinetically unfavorable at lower temperatures but becomes feasible when the thermodynamic driving energy surpass a critical energy threshold.

Roy, Ankit [Pacific Northwest National Laboratory ↗
DOE OSTI2024

Confinement Effects on Proton Transfer in TiO 2 Nanopores from Machine Learning Potential Molecular Dynamics Simulations

Improved understanding of proton transfer in nanopores is critical for a wide range of emerging applications, yet experimentally probing mechanisms and energetics of this process remains a significant challenge. To help reveal details of this process, we developed and applied a machine learning potential derived from first-principles calculations to examine water reactivity and proton transfer in TiO 2 slit-pores. Here, we find that confinement of water within pores smaller than 0.5 nm imposes strong and complex effects on water reactivity and proton transfer. Although the proton transfer mechanism is similar to that at a TiO 2 interface with bulk water, confinement reduces the activation energy of this process, leading to more frequent proton transfer events. This enhanced proton transfer stems from the contraction of oxygen–oxygen distances dictated by the interplay between confinement and hydrophilic interactions. Our simulations also highlight the importance of the surface topology, where faster proton transport is found in the direction where a unique arrangement of surface oxygens enables the formation of an ordered water chain. In a broader context, our study demonstrates that proton transfer in hydrophilic nanopores can be enhanced by controlling pore size, surface chemistry, and topology.

36 MATERIALS SCIENCE↗
NASA NTRS2008

Multiscale Modeling of Intergranular Fracture in Aluminum: Constitutive Relation For Interface Debonding

Intergranular fracture is a dominant mode of failure in ultrafine grained materials. In the present study, the atomistic mechanisms of grain-boundary debonding during intergranular fracture in aluminum are modeled using a coupled molecular dynamics finite element simulation. Using a statistical mechanics approach, a cohesive-zone law in the form of a traction-displacement constitutive relationship, characterizing the load transfer across the plane of a growing edge crack, is extracted from atomistic simulations and then recast in a form suitable for inclusion within a continuum finite element model. The cohesive-zone law derived by the presented technique is free of finite size effects and is statistically representative for describing the interfacial debonding of a grain boundary (GB) interface examined at atomic length scales. By incorporating the cohesive-zone law in cohesive-zone finite elements, the debonding of a GB interface can be simulated in a coupled continuum-atomistic model, in which a crack starts in the continuum environment, smoothly penetrates the continuum-atomistic interface, and continues its propagation in the atomistic environment. This study is a step towards relating atomistically derived decohesion laws to macroscopic predictions of fracture and constructing multiscale models for nanocrystalline and ultrafine grained materials.

Yamakov, V.↗
NASA NTRS2009

Detection of Subsurface Material Separation in Shuttle Orbiter Slip-Side Joggle Region of the Wing Leading Edge using Infrared Imaging Data from Arc Jet Tests

The objective of the present study was to determine whether infrared imaging (IR) surface temperature data obtained during arc-jet tests of Space Shuttle Orbiter s reinforced carbon-carbon (RCC) wing leading edge panel slip-side joggle region could be used to detect presence of subsurface material separation, and if so, to determine when separation occurs during the simulated entry profile. Recent thermostructural studies have indicated thermally induced interlaminar normal stress concentrations at the substrate/coating interface in the curved joggle region can result in local subsurface material separation, with the separation predicted to occur during approach to peak heating during reentry. The present study was an attempt to determine experimentally when subsurface material separations occur. A simplified thermal model of a flat RCC panel with subsurface material separation was developed and used to infer general surface temperature trends due to the presence of subsurface material separation. IR data from previously conducted arc-jet tests on three test specimens were analyzed: one without subsurface material separation either pre or post test, one with pre test separation, and one with separation developing during test. The simplified thermal model trend predictions along with comparison of experimental IR data of the three test specimens were used to successfully infer material separation from the arc-jet test data. Furthermore, for the test specimen that had developed subsurface material separation during the arc-jet tests, the initiation of separation appeared to occur during the ramp up to the peak heating condition, where test specimen temperature went from 2500 to 2800 F.

Daryabeigi, Kamran↗
DOE OSTI2025

ESAC (EQ-SANS Assisting Chatbot): Application of large language models and retrieval-augmented generation for enhanced user experience at EQ-SANS

Neutron scattering experiments have played vital roles in exploring materials properties in the past decades. While user interfaces have been improved over time, neutron scattering experiments still require specific knowledge or training by an expert due to the complexity of such advanced instrumentation and the limited number of experiments each person may perform each year. This paper introduces an innovative chatbot application that leverages Large Language Models(LLM) and Retrieval-Augmented Generation (RAG) technologies to significantly enhance the user experience at the EQ-SANS, a small-angle neutron scattering instrument at the Spallation Neutron Source of Oak Ridge National Laboratory. Through a user-centric design approach, the EQ-SANS Assisting Chatbot (ESAC) serves as an interactive reference for users, thereby facilitating the use of the instrument by visiting scientists. By bridging the gap between the users of EQ-SANS and the control systems required to perform their experiments, the ESAC sets a new standard for interactive learning and support for the scientific community using large-scale scientific facilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Exploring strain rate effects upon 3D materials using high speed in situ X-ray tomoscopy

Cellular materials are ubiquitous in our modern society. They may be stochastic gas-blown foams (e.g., polyurethane), foamed starches (e.g., cereals), or, in this case, 3D printed microlattices. Failure in these materials is often driven by surface or sub-surface defects, which may be nucleated at a surface roughness, an interior void, or inclusion interfaces that may not be typically observable. Obfuscating our understanding further, bulk materials are known to exhibit strain-rate-dependent mechanical response, making a subsurface understanding of damage even more critical. For the first time, an in situ uniaxial mechanical loading stage that simultaneously rotates specimens up to 18 Hz was fielded at a synchrotron for 3D tomographic imaging. This capability opens a plethora of materials science opportunities to explore strain rate effects in materials and examining deformation, fracture, and delamination’s (in composites) for a complete 3D picture (movie) of material response. We demonstrate the deformation of 3D printed polymer lattice structures, of three different material types, at 0.25, 1.1, and 2.2 s −1 strain rates. We successfully imaged the 3D deformation of these materials and can directly compare the same printed structure to the three material types at three strain rates, all in 3D. Material point method simulations were applied to one of the materials to better understand the role of voids on the 3D printed structure’s performance.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mechanistic Insight into Tunable Spin Relaxation in Two-Dimensional Type-II Ligand-Perovskite Heterostructures

Two-dimensional (2D) metal-halide perovskites with spin-dependent optical properties hold great promise for spintronic and quantum applications. However, their spin lifetimes, especially for n = 1 2D perovskites, are typically limited to subpicosecond time scales due to rapid spin relaxation driven by strong spin−orbit coupling (SOC), electron−hole exchange interactions, and phonon-mediated scattering. Here, we demonstrate that type-II ligand-perovskite heterostructures overcome these constraints by reducing electron−hole wave function overlap and exciton binding energy. Compared to the type-I 2D perovskite (PEA) 2 PbI 4 with a spin lifetime of 0.29 ps at room temperature, our engineered type-II systems achieve substantially extended spin lifetimes, ∼6.37 ps for (4Tm) 2 PbI 4 and ∼18.47 ps for (4TCNm) 2 PbI 4 . In both materials, spatial charge separation across the perovskite−ligand interface mitigates the Bir−Aronov− Pikus (BAP) mechanism. Temperature- and fluence-dependent measurements reveal Elliott−Yafet (EY)-dominated spin relaxation in (4Tm) 2 PbI 4 , consistent with the observation of coherent phonon oscillation, whereas (4TCNm) 2 PbI 4 exhibits D’yakonov−Perel (DP)-dominated spin relaxation, with weaker phonon coupling further suppressing the EY relaxation, enabling spin lifetimes up to ∼126.81 ps at 5 K. Our findings establish a structural design framework for tailoring spin dynamics in 2D perovskites, offering a promising strategy to engineering spin and optoelectronic properties via rational ligand engineering.

Excitons↗
DOE OSTI2025

Néel domain walls with bistable chirality in a perpendicularly magnetized ferrimagnetic insulator

Field-free spin-orbit torque-driven domain wall motion in magnetic thin films with perpendicular magnetic anisotropy (PMA) requires the domain walls to have Néel character. Conventionally, Néel domain walls are stabilized by the Dzyaloshinskii-Moriya interaction (DMI) in ultrathin films. Here, in a europium iron garnet thin film with PMA and an additional uniaxial in-plane anisotropy, we demonstrate two bistable Néel domain wall states in the absence of DMI, and the capability to toggle the wall states with an in-plane field pulse and consequently their directions of motion under a current pulse. We present a phase diagram for the bistable Néel domain wall states as a function of in-plane field pulse width and amplitude. By fitting the experimental data to an analytical model of Néel wall reversal through the nucleation and propagation of Bloch lines, we extract the length of the initial reversed domain wall segment and Bloch line nucleation energy barrier. Current-driven motion of in-plane anisotropy stabilized Néel walls is qualitatively different from that of DMI-stabilized ones owing to the different symmetry of the effective fields that stabilize the Néel configuration. Furthermore, we present a proof of principle demonstration for 2-bit random number generation based on the stochastic reversal of domain wall chirality. These results provide critical insight into the topological energy barrier of Bloch lines and identify paths towards domain wall-based memory and computing devices.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Evaluation of the interfacial bonding strength between hafnia and silica layers deposited by electron-beam evaporation

Factors contributing to the mechanical strength of multilayer optical coatings involving alternating layers of electron-beam evaporated hafnia and silica is investigated. It is observed that upon rupture resulting from nanosecond laser damage, fragments consisting of layer pairs are produced. These pairs are formed as a result of a strong asymmetry in adhesion strength between interfaces, leading to preferential delamination at interfaces where silica is deposited on hafnia, and not the reverse, despite the fact that both interface types consist of the same pair of materials. The observed disparity in adhesion strength was further studied using nanomechanical scratch tests, revealing loads at which fracture occurs, and fracture morphology, both of which are highly dependent on deposition order. Based on these measurements, along with the morphological analysis of the nanostructure of the coatings, we conclude that the surface microstructure in each coating layer affects its adhesion strength with the succeeding layer. The findings outlined here are particularly relevant to the production of large aperture, high-performance optics designed for use in next-generation lasers.

adhesion strength↗
NASA NTRS1986

High-resolution Surface Analysis by Microarea Auger Spectroscopy: Computerization and Characterization

A custom scanning Auger electron microscope (SAM) capable of introducing a 3-5 keV electron beam of several nA into a 30 nm diameter sample area was fitted with a sample introduction system and was fully computerized to be used for materials science research. The method of multispectral Auger imaging was devised and implemented. The instrument was applied to various problems in materials science, including the study of the fiber/matrix interface in a SiC reinforced titanium alloy, the study of SiC whiskers in Al alloy 2124 (in cooperation with NASA-Langley), the study of NiCrAl superalloys (in collaboration with NASA-Lewis), the study of zircalloy specimens (in collaboration with Stanford University), and the microstructure of sintered SiC specimens (in collaboration with NASA-Lewis). The report contains a number of manuscripts submitted for publication on these subjects.

Browning, R.↗
NASA NTRS1990

Microgravity Science and Application Program tasks, 1989 revision

The active research tasks, as of the fiscal year 1989, of the Microgravity Science and Applications Program, NASA Office of Space Science and Applications, involving several NASA Centers and other organizations are compiled. The purpose is to provide an overview of the program scope for managers and scientists in industry, university, and government communities. The scientists in industry, university, and government communities. An introductory description of the program, the strategy and overall goal, identification of the organizational structures and people involved, and a description of each task are included. Also provided is a list of recent publications. The tasks are grouped into several major categories: electronic materials, solidification of metals, alloys, and composites; fluids, interfaces, and transport; biotechnology; glasses and ceramics; combustion science; physical and chemistry experiments (PACE); and experimental technology, facilities, and instrumentation.

Source record↗
NASA NTRS1992

Microgravity science and applications program tasks, 1991 revision

Presented here is a compilation of the active research tasks for FY 1991 sponsored by the Microgravity Science and Applications Division of the NASA Office of Space Science and Applications. The purpose is to provide an overview of the program scope for managers and scientists in industry, university, and government communities. Included is an introductory description of the program, the strategy and overall goal, identification of the organizational structures and the people involved, and a description of each. The tasks are grouped into several categories: electronic materials; solidification of metals, alloys, and composites; fluids, interfaces, and transport; biotechnology; combustion science; glasses and ceramics; experimental technology, instrumentation, and facilities; and Physical and Chemistry Experiments (PACE). The tasks cover both the ground based and flight programs.

Source record↗
NASA NTRS1993

Refractive Index Effects on Radiation in an Absorbing, Emitting, and Scattering Laminated Layer

A simple set of equations is derived for predicting temperature radiative energy flow in a two-region semitransparent laminated layer in the limit of zero heat conduction. The composite is heated on its two sides by unequal amounts of incident radiation. The two layers of the composite have different refractive indices, and each material absorbs, emits, and isotropically scatters radiation. The interfaces are diffuse, and all interface reflections are included. To illustrate the thermal behavior that is readily calculated from the equations, typical results an given for various optical thicknesses and refractive indices of the layers. Internal reflections have a substantial effect on the temperature distribution and radiative heat flow.

Siegel, R.↗
NASA NTRS1995

Application of linear array imaging techniques to the real-time inspection of airframe structures and substructures

Development and application of linear array imaging technologies to address specific aging-aircraft inspection issues is described. Real-time video-taped images were obtained from an unmodified commercial linear-array medical scanner of specimens constructed to simulate typical types of flaws encountered in the inspection of aircraft structures. Results suggest that information regarding the characteristics, location, and interface properties of specific types of flaws in materials and structures may be obtained from the images acquired with a linear array. Furthermore, linear array imaging may offer the advantage of being able to compare 'good' regions with 'flawed' regions simultaneously, and in real time. Real-time imaging permits the inspector to obtain image information from various views and provides the opportunity for observing the effects of introducing specific interventions. Observation of an image in real-time can offer the operator the ability to 'interact' with the inspection process, thus providing new capabilities, and perhaps, new approaches to nondestructive inspections.

Miller, James G.↗