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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Off-axis tensile properties and fracture in a unidirectional graphite/polyimide composite (Celion 6000/PMR 15)

Tensile properties of unidirectional Celion 6000 graphite/PMR 15 polyimide composites prepared by hot molding and cold molding processes were measured at room temperature and 316 C, the upper use temperature of the polyimide resin, at both 45 and 90 deg to the fiber axis. The resulting fractures were characterized by scanning electron microscopy and materialographic techniques. Variation in tensile properties with processing history occurred in the elastic modulus and strain to failure for specimens loaded at 90 deg at 316 C, and in the fracture stress, and hence the in-plane shear stress, for those loaded at 45 deg at room temperature. Significant plastic deformation was observed in the 45 deg orientation at 316 C for material produced by both processing methods. In general, fracture occurred by both failure within the matrix and at the fiber-matrix interface; the degree of interfacial failure increased with temperature. Secondary cracking below the primary fracture surface was also observed.

Harper, J.↗
NASA NTRS2004

Microsample Characterization of Coatings for GRCop-84 for High Temperature High Heat Flux Application

NASA's Glenn Research Center has developed GRCop-84 (Cu-8at.%Cr-4% Nb), a high conductivity, high strength copper alloy for use as liners in rocket engine combustion chambers, nozzle ramps and other actively-cooled components subject to high heat fluxes. Two metallic coatings, NiCrAlY and Cu-26%Cr, are being considered for preventing blanching, reducing 'dog- house' failures and providing better environmental resistance to the GRCop-84 liners. This presentation will outline a study of coating-substrate interactions that occur as a result of thermal cycling and coating specific properties at different temperatures. A furnace has been built to thermally cycle the samples under argon. The microsample testing approach is being used to measure the coating-substrate interfacial strength. Cu-26Cr/GRCop-84 samples did not show any obvious interdiffusion after 300 thermal cycles. Interfacial strength tests of these samples were affected by porosity present in the samples. A complete set of observations and results for Cu-26Cr and NiCrAlY coatings will be presented.

Jain, Piyush↗
DOE OSTI2021

Interfacial intermixing and anti-phase boundaries in GaP/Si(0 0 1) heterostructures

Epitaxial GaP/Si heterostructures grown by molecular beam epitaxy (MBE) and migration-enhanced epitaxy (MEE) have been studied, primarily using aberration-corrected scanning transmission electron microscopy (AC-STEM). Atomically-resolved structure images, which are sensitive to atomic-column intensity revealed the detailed geometry of antiphase boundaries that were both parallel and also inclined to the growth direction. The polar/non-polar GaP/Si interfaces were neither atomically flat laterally nor abrupt vertically. Measurements of intensity profiles using both bright-field and dark-field AC-STEM images, as well as chemically-sensitive g 002 dark-field imaging, indicated substantial interfacial intermixing, which increased significantly from ~1.3 nm (MEE growth at 440 °C) to ~2.1 nm (MBE growth at 600 °C). The finite interface width will impact theoretical predictions of charge imbalance and strong electric fields across the heterointerface.

36 MATERIALS SCIENCE↗
DOE OSTI2025

3D Printing of Cement-Based Materials Using Seawater for Simulated Marine Environments

Global demand for adaptable and rapidly deployable construction solutions in offshore, coastal, and fluvial environments continues to rise, driven by pressing needs to develop energy platforms, improve coastal resilience, and support emergency response in the face of natural disasters. Increased investment in human-made coastal infrastructure, such as piers, support structures for power lines, offshore wind farms, and seawall protection systems, further underscores this trend. This study investigates the development of printable concrete mixtures for underwater environments using seawater as a replacement for freshwater, using a 3D printing syringe-based extrusion system. The effect of seawater addition and the printing medium (in air vs. underwater) was assessed via rheological and mechanical performance characterization. The results indicate rheological properties are favorable for seawater adoption by producing mixtures with higher yield stress and viscosity with the same levels of admixtures used for freshwater. Seawater-based mixtures demonstrated superior dimensional stability compared to freshwater counterparts, maintaining cross-sectional geometry, while compressive strength results showed no statistical differences between in-air and underwater samples. However, flexural strength was significantly influenced by geometry and printing medium. These findings establish critical rheological parameters for printable underwater mixtures and highlight the need for optimized curing strategies and layer bonding techniques to improve interfacial strength in underwater 3D printing applications.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Residual Stresses Modeled in Thermal Barrier Coatings

Thermal barrier coating (TBC) applications continue to increase as the need for greater engine efficiency in aircraft and land-based gas turbines increases. However, durability and reliability issues limit the benefits that can be derived from TBC's. A thorough understanding of the mechanisms that cause TBC failure is a key to increasing, as well as predicting, TBC durability. Oxidation of the bond coat has been repeatedly identified as one of the major factors affecting the durability of the ceramic top coat during service. However, the mechanisms by which oxidation facilitates TBC failure are poorly understood and require further characterization. In addition, researchers have suspected that other bond coat and top coat factors might influence TBC thermal fatigue life, both separately and through interactions with the mechanism of oxidation. These other factors include the bond coat coefficient of thermal expansion, the bond coat roughness, and the creep behavior of both the ceramic and bond coat layers. Although it is difficult to design an experiment to examine these factors unambiguously, it is possible to design a computer modeling "experiment" to examine the action and interaction of these factors, as well as to determine failure drivers for TBC's. Previous computer models have examined some of these factors separately to determine their effect on coating residual stresses, but none have examined all the factors concurrently. The purpose of this research, which was performed at DCT, Inc., in contract with the NASA Lewis Research Center, was to develop an inclusive finite element model to characterize the effects of oxidation on the residual stresses within the TBC system during thermal cycling as well as to examine the interaction of oxidation with the other factors affecting TBC life. The plasma sprayed, two-layer thermal barrier coating that was modeled incorporated a superalloy substrate, a NiCrAlY bond coat, and a ZrO2-8 wt % Y2O3 ceramic top coat. We examined the effect on stress during burner rig thermal cycling of the following independent variables: creep in the bond coat and top coat, oxidation, bond coat coefficient of thermal expansion, number of thermal cycles, and interfacial roughness. All these factors were suspected of influencing TBC failure. The model showed that all the material properties studied had a significant effect on the coating's residual stresses if the interface of the bond coat was rough. Bond coat expansion, bond coat oxidation, and bond coat creep had the highest effect on coating stresses, and these were highly interactive. The model also showed that the mechanism of stress generation during thermal cycling changed with the number of thermal cycles. Bond coat and top coat creep dominated stress generation during early thermal cycles, greatly increasing delamination stresses at the peaks of the bond coat. Therefore, creep is the prime driver for delamination cracking early in life, but cracking is limited to the bond coat peak region. Oxidation of the bond coat, on the other hand, tended to dominate stress generation during later cycles by greatly increasing delamination stresses over bond coat valleys. These results indicate that oxidation is the driver for the continued cracking necessary to cause ceramic layer spallation.

Freborg, A. M.↗
DOE OSTI2022

Understanding Phase and Interfacial Effects of Spall Fracture in Additively Manufactured Ti-5Al-5V-5Mo-3Cr

Additive manufactured Ti-5Al-5V-5Mo-3Cr (Ti-5553) is being considered as an AM repair material for engineering applications because of its superior strength properties compared to other titanium alloys. Here, we describe the failure mechanisms observed through computed tomography, electron backscatter diffraction (EBSD), and scanning electron microscopy (SEM) of spall damage as a result of tensile failure in as-built and annealed Ti-5553. We also investigate the phase stability in native powder, as-built and annealed Ti-5553 through diamond anvil cell (DAC) and ramp compression experiments. We then explore the effect of tensile loading on a sample containing an interface between a Ti-6Al-V4 (Ti-64) baseplate and additively manufactured Ti-5553 layer. Post-mortem materials characterization showed spallation occurred in regions of initial porosity and the interface provides a nucleation site for spall damage below the spall strength of Ti-5553. Preliminary peridynamics modeling of the dynamic experiments is described. Finally, we discuss further development of Stochastic Parallel PARticle Kinteic Simulator (SPPARKS) Monte Carlo (MC) capabilities to include the integration of alpha (α)-phase and microstructural simulations for this multiphase titanium alloy.

36 MATERIALS SCIENCE↗
NASA NTRS2019

In Situ Observation of Growth Dynamics in DECLIC Directional Solidification Insert Onboard ISS: DSI-R Flight Campaign

The study of solidification microstructure formation is of utmost importance for materials design and processing, as solid-liquid interface patterns largely govern mechanical and physical properties. Pattern selection occurs under dynamic conditions of growth in which the initial morphological instability evolves nonlinearly and undergoes a reorganization process. The dynamic and nonlinear nature of this instability renders in situ observation of the interface an invaluable tool to gain knowledge on the time-evolution of the interface pattern. Transparent organic analogs, which solidify like metallic alloys, allow direct visualization of interface dynamics. Extensive ground-based studies of both metallic and organic bulk samples have established the presence of significant convection during solidification processes that alters the formation of interfacial microstructures. A reduced-gravity environment is therefore mandatory for fluid flow elimination in bulk samples. In the framework of the CNES project MISOL3D (MIcrostrutures de SOLidification 3D) and the NASA projects DSIP (Dynamical Selection of 3D Interface Patterns), SPADES (SPAtiotemporal Evolution of three-dimensional DEndritic array Structures) and CAMUS (ComputAtional Studies of MicrostrUcture Formation During Alloy Solidification in Microgravity), we participated in the development of the Directional Solidification Insert (DSI) of the DEvice for the study of Critical Liquids and Crystallization (DECLIC). The DECLIC-DSI is dedicated to in situ and real-time characterization of solid-liquid interface patterns during directional solidification of transparent alloys in diffusive transport regime. Between April 2010 and March 2011, the first ISS campaign (DSI) explored the entire range of microstructures resulting in unprecedented observations. A second campaign (DSI-R), performed between October 2017 and December 2018, in which the insert contained an alloy of higher solute concentration, allowed to complete the benchmark database. The increase of solute concentration resulted in well-developed dendritic patterns at lower velocities (lower interface curvature and larger tip radius). The microstructure resulting from dendritic growth is dominant in metallurgy so that it is fundamental to understand the mechanisms of its formation. The main aims of this experimental campaign are to understand: the mechanisms of the cell to dendrite transition, the fundamental mechanisms of sidebranching formation, the dependence of dendrite tip shapes on growth conditions, the interaction of primary array and secondary sidebranches, and the influence of subgrain boundaries on the spatiotemporal organization of the array structure. Preparation, analysis and interpretation of the experiments performed onboard ISS are considerably enhanced by experiments performed on ground using thin-samples (Pr. Trivedi’s group) and phase-field simulations of microstructure formation in a diffuse growth regime (Pr. Karma’s group). In this summary, we will present an initial assessment of the results obtained during the DSI-R campaign. Nomenclature Vp: pulling velocity G: thermal gradient L: solidified length rtip: tip curvature radius Acronyms/Abbreviations CADMOS: Centre d'Aide au Développement des activités en Micro-pesanteur et des Opérations Spatiales CNES: Centre National d’Études Spatiales DECLIC: Device for the study of Critical LIquids and Crystallization DSI: Directional Solidification Insert DSI-R: Directional Solidification Insert - Refurbish ISS: International Space Station NASA: National Aeronautics and Space Administration PF: phase-field SCN: Succinonitrile 3D: three-dimensional

Mota, F.L.↗
DOE OSTI2025

From Pollutant Removal to Renewable Energy: MoS2-Enhanced P25-Graphene Photocatalysts for Malathion Degradation and H2 Evolution

The widespread presence of pesticides—especially malathion—in aquatic environments presents a major obstacle to conventional remediation strategies, while the ongoing global energy crisis underscores the urgency of developing renewable energy sources such as hydrogen. In this context, photocatalytic water splitting emerges as a promising approach, though its practical application remains limited by poor charge carrier dynamics and insufficient visible-light utilization. Herein, we report the design and evaluation of a series of TiO2-based ternary nanocomposites comprising commercial P25 TiO2, reduced graphene oxide (rGO), and molybdenum disulfide (MoS2), with MoS2 loadings ranging from 1% to 10% by weight. The photocatalysts were fabricated via a two-step method: hydrothermal integration of rGO into P25 followed by solution-phase self-assembly of exfoliated MoS2 nanosheets. The composites were systematically characterized using X-ray diffraction (XRD), Raman spectroscopy, transmission electron microscopy (TEM), UV-Vis diffuse reflectance spectroscopy (DRS), and photoluminescence (PL) spectroscopy. Photocatalytic activity was assessed through two key applications: the degradation of malathion (20 mg/L) under simulated solar irradiation and hydrogen evolution from water in the presence of sacrificial agents. Quantification was performed using UV-Vis spectroscopy, gas chromatography–mass spectrometry (GC-MS), and thermal conductivity detection (GC-TCD). Results showed that the integration of rGO significantly enhanced surface area and charge mobility, while MoS2 served as an effective co-catalyst, promoting interfacial charge separation and acting as an active site for hydrogen evolution. Nearly complete malathion degradation (~100%) was achieved within two hours, and hydrogen production reached up to 6000 µmol g−1 h−1 under optimal MoS2 loading. Notably, photocatalytic performance declined with higher MoS2 content due to recombination effects. Overall, this work demonstrates the synergistic enhancement provided by rGO and MoS2 in a stable P25-based system and underscores the viability of such ternary nanocomposites for addressing both environmental remediation and sustainable energy conversion challenges.

Chemistry↗
DOE OSTI2024

Three-dimensional hard X-ray ptychographic reflectometry imaging on extended mesoscopic surface structures

Many nanodevices and quantum devices, with their sizes often spanning from millimeters down to sub-nanometer, have intricate low-dimensional, non-uniform, or hierarchical structures on surfaces and interfaces. Since their functionalities are dependent on these structures, high-resolution surface-sensitive characterization becomes imperative to gain a comprehensive understanding of the function–structure relationship. We thus developed hard x-ray ptychographic reflectometry imaging, a new technique that merges the high-resolution two-dimensional imaging capabilities of hard x-ray ptychography for extended objects, with the high-resolution depth profiling capabilities of x-ray reflectivity for layered structures. The synergy of these two methods fully leverages both amplitude and phase information from ptychography reconstruction to not only reveal surface topography and localized structures, such as shapes and electron densities, but also yields statistical details, such as interfacial roughness that is not readily accessible through coherent imaging solely. The hard x-ray ptychographic reflectometry imaging is well-suited for three-dimensional imaging of mesoscopic samples, particularly those comprising planar or layered nanostructures on opaque supports, and could also offer a high-resolution surface metrology and defect analysis on semiconductor devices, such as integrated nanocircuits and lithographic photomasks for microchip fabrications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Modeling and Simulation of Fuel Dispersal During the Loss-of-Coolant Accident

This document is the compilation of the milestone portion to a larger end of project NEUP report. The executive summary of the modeling portion is provided below: In the event of cladding rupture during a postulated LOCA in a pressurized water reactor, fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod, a phenomenon referred to as fuel dispersal. The initial stage of fuel dispersal is strongly influenced by the high-pressure ejection of fuel fragments, the size and geometry of the ruptured cladding, and the depressurization history of the fuel rod during the postulated LOCA transient. Depending on the location of the burst orifice relative to the quench front, the dispersal event represents an intricate three-phase flow and heat transfer phenomenon, where high-temperature fuel particles carried by the fission gases interact with the coolant within the narrow subchannels of the fuel assemblies, inducing localized phase change. Given the unique multiphysics nature of this phenomena, the current study develops a dedicated computational framework to predict the mass distribution and cooling of dispersing fuel particles, facilitating post-accident assessment and management of the fuel assemblies. Considering the scale of nuclear reactor applications, a continuum three-fluid model is proposed for simulating the transport of solids within the reactor core. With high-temperature fuel fragments within the liquid media, nucleation sites inducing phase changes are dispersed within the flow domain. Coupled with the fact that the transient dispersal event occurs on different time scales than other three-phase flow applications, this study derives a time-averaged three-fluid flow model without losing generality. The assumptions regarding the continuum treatment of the solid phase and the modeling of fuel dispersal behavior are incorporated to simplify the governing equations and derive applicable closure relations. The computational validation of the model was conducted using adiabatic experimental results obtained from ongoing research at Oregon State University, focusing on characterizing fuel dispersal behavior during simulated LOCA conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched the probability density functions reported in experimental studies. The transport of fuel particles within a scaled 5 × 5 lattice of a pressurized-water reactor rod bundle geometry was modeled through a two-fluid Eulerian framework. The required boundary conditions were evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considered solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum exchange between the participating fluids. The simulation results provided the volume fraction of the solids obtained at the bottom surface of the enclosing tank geometry. Postulated LOCA leading to fuel dispersal phenomena involves the strong coupling between fuel thermomechanics, cladding deformation, thermal-hydraulics, and fuel particle transport. Incorporation of such a strong coupling in numerical simulation is performed by coupling the multiphysics solvers. In the case of fuel dispersal, a strong coupled simulation can be performed by coupling the BISON code for fuel performance, the TRACE code for system-level thermal hydraulics, and fuel particle transport in Multiphysics Object-Oriented Simulation Environment (MOOSE). For such intricate infrastructure, the MOOSE Framework eases the data transfer between codes. The recent version of MOOSE has incorporated the Navier-Stokes module for the fluid flow. An exploratory exercise was done to gain familiarity with finite volume capabilities in the MOOSE framework to incorporate the Spalart-Allmaras (SA) turbulence model. New finite-volume and auxiliary kernels were introduced to assemble the SA transport equation, compute turbulent viscosity, and evaluate wall distance and diagnostic turbulence terms, fully integrated with existing Navier-Stokes modules. A turbulent lid-driven cavity at a Reynolds number of approximately 10,000 is used for verification. MOOSE shows the robust solver convergence and produces the turbulent features. But it underpredicts the velocity profile and turbulent quantities, emphasizing the need to develop improved SA near-wall treatments (e.g., low-Re corrections or wall functions) as a key direction for future work.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1990

Temperature-dependent tensile and shear response of P100/6061 graphite-aluminum

This paper summarizes the results of an investigation conducted to characterize tensile and shear response of P100/6061 graphite-aluminum composite in the temperature range -101 to 260 C. The off-axis tension test and Iosipescu shear test methods were employed to meet this objective. The experimental results indicate that both the fiber-dominated and matrix-dominated elastic properties exhibit relatively small changes in the considered temperature range. The effect of temperature on yielding and strength, however, is significant under longitudinal and shear loading. Residual stresses play a significant role in controlling the variation of the yield stress with temperature. The observed low transverse strength of the composite is explained by interfacial defects between adjacent precursor wires induced during fabrication.

Fujita, Takahiro↗
DOE OSTI2026

Hybrid Additive Manufacturing and Electric Field-Assisted Sintering of High-temperature Heat Exchangers via Sacrificial Channel Molds

A hybrid manufacturing approach, integrating additive manufacturing (AM) with powder methodology via electric field-assisted sintering (EFAS), was developed for the fabrication of high-temperature compact heat exchangers (CHX) from refractory metals. The methodology employed additively manufactured sacrificial channel molds (SCMs) as shapeholders for CHX channels, which were embedded in metal powders using EFAS. Following embedding, the SCMs were chemically dissolved to form the internal channel network. SCMs were fabricated using both digital light processing (DLP) and direct ink writing (DIW) from chemically reactive, calcium-based ceramic feedstocks with varying ratios of Al2O3 reinforcement. The microstructure, phase composition, and dissolution behavior of both as-printed and embedded SCMs were investigated. The shrinkage behavior of the SCMs embedded in refractory metals, as well as the interfacial characteristics between the SCMs and metal matrix, were studied. The results showed that the SCMs containing sufficient chemical reactive ceramics dissolved effectively before and after embedding. The as-printed SCMs retained the phase composition of their feedstocks, but the embedded SCMs containing calcium-based ceramics and Al2O3 exhibited the formation of calcium aluminates due to high temperature exposure during embedding. Most SCMs exhibited a cellular Al2O3 network filled with Ca-rich ceramics. Shrinkage after embedding was strongly dependent on SCM density, with lower density SCMs exhibiting greater shrinkage. A thin SCM-affected zone was observed at the metal matrix surface, characterized by increased porosity compared to the bulk matrix. This effect was attributed to infiltration of the SCM materials into powder particle boundaries under pressure, followed by their removal during dissolution. This study demonstrates the feasibility of manufacturing CHXs from hard-to-process refractory metals for use in harsh environments.

36 - MATERIALS SCIENCE↗
DOE OSTI2023

From Inside Out: How the Buried Interface, Shell Defects, and Surface Chemistry Conspire to Determine Optical Performance in Nonblinking Giant Quantum Dots

“Giant” or core/thick‐shell quantum dots (gQDs) are an important class of solid‐state quantum emitter characterized by strongly suppressed blinking and photobleaching under ambient conditions, and reduced nonradiative Auger processes. Together, these qualities provide distinguishing and useful functionality as single‐ and ensemble‐photon sources. For many applications, operation at elevated temperatures and under intense photon flux is desired, but performance is strongly dependent on the synthetic method employed for thick‐shell growth. Here, a comprehensive analysis of gQD structural properties “from the inside out” as a function of shell‐growth method is reported: successive ionic layer adsorption and reaction (SILAR) and high‐temperature continuous injection (HT‐CI), or sequential combinations of the two. Key correlations across synthesis methods, structural features (interfacial alloying, stacking‐fault density and surface‐ligand identity), and performance metrics (quantum yield, single‐gQD photoluminescence under thermal/photo stress, charging behavior and quantum‐optical properties) are identified. Surprisingly, it is found that interfacial alloying is the strongest indicator of gQD stability under stress, but this parameter is not the determining factor for Auger suppression. Furthermore, quantum yield is strongly influenced by surface chemistry and can approach unity even in the case of high shell‐defect density, while introduction of zinc‐blende stacking faults increases the likelihood that a gQD exhibits charged‐state emission.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Integrated electro- and chemical characterization of sulfide-based solid-state electrolytes

Sulfide solid-state electrolytes (SSEs) represent a critical advancement towards enabling next-generation lithium metal batteries. However, a profound knowledge gap remains in understanding the structure–property relationships inherent to these sulfide SSEs. Electrochemical assessment and spectroscopic tools, such as Raman spectroscopy, offer bench-top ready, non-invasive, powerful avenues for operando and in situ analyses. Despite this potential, the integration of these methodologies, particularly for real-time interrogation, is markedly under-investigated. This review endeavors to catalog the use of diverse electrochemical techniques and spectroscopic tools in elucidating the structural and functional nuances of sulfide SSEs. Through the harmonization of these multifaceted evaluation strategies, our objective is to chart a course towards optimized sulfide SSEs, thereby aiding in the development of informed protocols for a deeper comprehension and understanding of the structure–property relationship and interfacial engineered design of solid-state batteries using sulfide-based SSEs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Determining the Crosslinking and Degradation Reaction Kinetics in Photovoltaic Encapsulants Using Accelerated Aging: Preprint

Degradation of photovoltaic (PV) module encapsulant mechanical characteristics that lead to embrittlement and delamination remains a cause of failure in solar installations. A multiscale reliability model based on detailed molecular degradation reaction kinetics was previously published, connecting the encapsulant mechanical properties (elastic modulus, yield strength, and adhesion energy) to the degraded molecular structure and interfacial bond density to adjacent solar cell and glass substrates. The model, developed primarily for poly(ethylene-co-vinyl acetate) (EVA) encapsulants, remains to be experimentally validated. Determining the degradation and crosslinking kinetics of alternative encapsulants, such as polyolefin elastomer (POE) and EVA/POE/EVA composites (EPE), can further generalize the model. Importantly, the activation energy for crosslinking of fully cured PV encapsulant products from temperature or UV is presently unknown or unavailable. In this work, we subject EVA, POE, and EPE encapsulants to a set of accelerated aging conditions, varying the temperature, UV intensity, and relative humidity. We use DSC, FTIR, and Soxhlet extraction (gel content) to characterize the encapsulants' changing molecular structure. This allows for determination of the photochemical degradation and crosslinking kinetics of the encapsulants. Preliminary results show an increase in gel content (crosslinking) and a decrease in crystallinity of EVA, POE, and EPE encapsulants under hot-aerobic (90 deg C, 22% RH) and hot-anaerobic (90oC, sealed in N2 air) accelerated aging, even in the absence of UV and crosslinking initiating agents. For a least squares regression with an assumed first-order crosslinking kinetics, the crosslinking rate parameters were computed for the three encapsulants under hot-aerobic and hot-anaerobic aging conditions. FTIR analysis showed insignificant encapsulant degradation for hot-aerobic and hot-anaerobic aging, demonstrating the critical role of UV and moisture in accelerating degradation. Aging conditions with UV exposure and elevated humidity are presently in progress.

adhesion↗
DOE OSTI2022

Epitaxial growth and magnetic characterization of EuSe thin films with various crystalline orientations

Here, we report different growth modes and corresponding magnetic properties of thin EuSe films grown by molecular beam epitaxy on BaF 2 , Pb 1-x Eu x Se, GaAs, and Bi 2 Se 3 substrates. We show that EuSe grows predominantly in the (001) orientation on GaAs(111) and Bi 2 Se 3 , but along the (111) crystallographic direction on BaF 2 (111) and Pb 1-x Eu x Se (111). High resolution transmission electron microscopy measurements reveal a sharp and highly crystalline interface for both (001) and (111) EuSe films. In agreement with previous studies, ordered magnetic phases include antiferromagnetic, ferrimagnetic, and ferromagnetic phases. In contrast to previous studies, we found a strong hysteresis of the antiferromagnetic–ferrimagnetic transition. The ability to grow epitaxial films of EuSe on Bi 2 Se3 and of Bi 2 Se 3 on EuSe enables further investigation of interfacial exchange interactions between various phases of an insulating metamagnetic material and a topological insulator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Molecular dynamics and experimental study on the adhesion mechanism of polyvinyl alcohol (PVA) fiber in alkali-activated slag/fly ash

This paper aims to study the adhesion mechanism of polyvinyl alcohol (PVA) fiber within alkali-activated slag/fly ash (AASF) matrix using molecular dynamics (MD) simulation in combination with systematic experimental characterization. The adhesion of PVA to C-(N-)A-S-H gel with different Ca/(Si+Al) and Al/Si ratios was modeled using MD simulation, with the related adsorption enthalpy calculated and the adhesion mechanism explored. The experimentally attained chemical bonding energy of PVA fiber in AASF coincides well with the simulation results. In both cases, the adhesion enhances primarily with increasing Ca/(Si+Al) ratio of C-(N-)A-S-H gel. Additionally, MD simulation indicates preferential element distributions of Ca around PVA molecule, which was confirmed experimentally by the detection of the Ca-rich C-(N-)A-S-H gel in the interfacial transition zone (ITZ). }This study provides further insights into the adhesion mechanism of PVA fiber to C-(N-)A-S-H gel formed in AASF, which is particularly valuable for the future development of PVA-based high-performance alkali-activated composites.

36 MATERIALS SCIENCE↗