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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Using FLUKA to Calculate Spacecraft: Single Event Environments: A Practical Approach

The FLUKA nuclear transport and reaction code can be developed into a practical tool for calculation of spacecraft and planetary surface asset SEE and TID environments. Nuclear reactions and secondary particle shower effects can be estimated with acceptable accuracy both in-flight and in test. More detailed electronic device and/or spacecraft geometries than are reported here are possible using standard FLUKA geometry utilities. Spacecraft structure and shielding mass. Effects of high Z elements in microelectronic structure as reported previously. Median shielding mass in a generic slab or concentric sphere target geometry are at least approximately applicable to more complex spacecraft shapes. Need the spacecraft shielding mass distribution function applicable to the microelectronic system of interest. SEE environment effects can be calculated for a wide range of spacecraft and microelectronic materials with complete nuclear physics. Evaluate benefits of low Z shielding mass can be evaluated relative to aluminum. Evaluate effects of high Z elements as constituents of microelectronic devices. The principal limitation on the accuracy of the FLUKA based method reported here are found in the limited accuracy and incomplete character of affordable heavy ion test data. To support accurate rate estimates with any calculation method, the aspect ratio of the sensitive volume(s) and the dependence must be better characterized.

Koontz, Steve↗
DOE OSTI2022

Inferring relative dose-dependent color center populations in proton irradiated thoria single crystals using optical spectroscopy

In this work, we have utilized photoluminescence spectroscopy and optical ellipsometry to characterize the dose-dependence of the photoluminescence emission intensity and changes in optical absorption of thoria single crystals subject to irradiation with energetic protons at room- and elevated-temperatures. The photoluminescence peaks and the optical absorption bands are attributed to creation of new electronic states emerging from defects resulting from displacement damage. These bands are most likely associated with electrons trapped at the oxygen vacancy sites similar to color centers formed in other irradiated oxides and halides. Our experimental observations are supported by a standard density functional theory calculation of the electronic structure in pristine and oxygen vacancy-bearing thoria crystals. The dose-dependence of the intensity of the photoluminescence peaks is used to parameterize a rate theory model that estimates the concentration of color centers in the irradiated crystals. This parameterization provides optimized migration barrier parameters for oxygen interstitials and vacancies that simultaneously capture the optical response of the crystals irradiated at room- and elevated-temperature. These optical spectroscopy techniques offer a promising pathway to characterize the population of color centers formed at the sites of oxygen anion vacancies, particularly in irradiated nuclear fuels, where atomic-level defects cannot be readily imaged using electron microscopy. When combined with other direct and indirect characterization tools, our approach can provide new insight into defect formation and accumulation in energy materials over single atomic to extended length scales.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Aerothermodynamic Analysis of a Flexible Thermal Protection System under Reentry Loads

The Carryall Block 1 reentry vehicle being developed by Outpost Space utilizes a strut supported semirigid deployable heatshield. This consists of a flexible thermal protection system, a heat-resistant fabric stack, stretched over actuated spars. The advantages of a deployable heatshield include reduced heat loading and earlier deceleration in the trajectory. However, the nature of the flexible thermal protection system necessitates considering the loaded shape of the heat shield. The flexible thermal protection system will deflect under reentry loads leading to areas of higher heating rates as well as a reduced axial coefficient as compared to the nominal shape. The Carryall Block 1 is analyzed using NASA’s FUN3D and DPLR CFD solvers with a deflected shape based on the catenary equations. The aerodynamic results are found to be within a percent for both solvers and both structured and unstructured mesh types. Fluid Structure Interaction (FSI) analysis is currently a work in progress, using file I/O to communicate between FUN3D and LS-DYNA, a commercial nonlinear structural solver. Challenges in deforming the geometry, mesh, and initial results are presented here.

thermal protection system↗
DOE OSTI2021

Recent progress and future prospects of atomic layer deposition to prepare/modify solid-state electrolytes and interfaces between electrodes for next-generation lithium batteries

Lithium ion batteries (LIBs) are encouraging electrochemical devices with remarkable properties including a high energy/power density, fast charging capability, and low self-discharge rate. Further increase in energy density as well as safe usage is needed for next-generation LIBs in electric transportation vehicles. Solid-state electrolytes (SSEs) are very promising for high-performance LIBs since they enable improved safety along with increased energy density compared to flammable liquid organic electrolytes. However, utilizing SSEs with a Li metal anode is very challenging due to the possibility of undesired side reactions and the formation of an unstable solid-electrolyte interphase. Therefore, it is critical to enhance the stability of SSEs against the Li anode. One feasible approach is to form a thin and conductive interlayer between the Li anode and solid-state electrolyte. Atomic layer deposition (ALD) is a unique technique for conformal coating of complex 3D structures with finely controlled film thickness (at the atomic scale). ALD coating on the surface of SSEs can be adopted for engineering solid-electrolyte interfaces with desired attributes and improved stability. In this review paper, we have discussed recent progress in implementing the ALD technique for depositing thin layers on various SSE configurations including lithium phosphorus oxynitride (LiPON), garnets, oxides, perovskites, sulphides, Li 3 BO 3 –Li 2 CO 3 (LBCO), and sodium super ionic conductors (NASICON). We have also highlighted the major areas for future research and development in the field. We believe that this review will be very helpful for directing future research on implementing ALD for synthesizing stable and high-performance SSEs with an engineered solid-electrolyte interface for next-generation electrochemical devices (e.g., Li-ion batteries, supercapacitors, and flow batteries).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Assessment of Sodium Thermal Stratification Models Utilizing the TSTF Benchmark

As a result of certain transient scenarios, a thermally stratified layer of liquid sodium can develop in the bulk coolant volumes of a sodium-cooled fast reactor (SFR). In addition to the effects a stratification layer has on the temperature of the heat transport system, a stratification layer can also influence the transition to and establishment of natural circulation flow, which plays an important role in passive cooling and the inherent safety of a pool-type SFR. Therefore, the ability to accurately capture thermal stratification phenomena is important when demonstrating the safety basis of a pool-type SFR during transient sequences. The present work assesses various computational models with different fidelities in their ability to predict thermal stratification in the upper plenum of an SFR. Each computational model will be assessed using the data generated at the Thermal Stratification Test Facility (TSTF) located at the University of Wisconsin-Madison. Using measured flow rate and inlet temperature data, the measured temperature distributions of the tests are compared to the predictions of the lumped volume-based models in SAS4A/SASSYS-1, a 1D-based model in SAM, and a 3-D computational fluid dynamics (CFD) model using STAR-CCM+. The relative performance of the various computational methods is assessed with respect to key metrics such as bulk coolant temperature distribution and plenum exit temperature. A total of eight tests are analyzed, covering different combinations of flow rates (3 and 10 GPM) and upper internal structure (UIS) configurations (none, solid, porous, and open) The perfect mixing model of SAS4A/SASSYS-1 provides the highest accuracy when the flow rate is high and there is no UIS in the test vessel, as high flow rate injection promotes thermal mixing of the sodium in the test vessel. For most of the analyzed tests, the stratified volume model of SAS4A/SASSYS-1 is able to predict the delay in the outlet temperature drop and temperature distribution in the test vessel by a small number of layers to represent thermal stratification. However, the stratified volume model can only simulate a maximum of three temperature layers within a volume and when a layer approaches the elevation of the outlet, the predicted outlet temperature can demonstrate rapid, non-physical changes. The 1-D axial mixing model of SAM provides results that agree reasonably well with the measured data in the prediction of the temporal evolution of the outlet temperature with the exception of the case with a high flow rate and no UIS. The SAM 1-D model has a similar level of accuracy to CFD results when it comes to predicting the outlet temperature. CFD shows overall good agreement in predicting the temperature distribution in the test vessel and outlet temperature. As CFD can model the test vessel geometry in detail, it performs well in the cases of complex geometries such as tests that included a UIS and internal flow through the UIS resulting in active mixing of the coolant in the test vessel. Each of the models discussed in the present work has the potential to be useful during the various stages of reactor design, analysis, and licensing. The lumped-volume approach can be applied for fast turnaround safety calculations to obtain overall reactor behavior during transients. The 1-D models provide improved accuracy when stratification is expected for a relatively low increase in the computational cost. The CFD model can be utilized for confirmatory analysis of the 1-D model, when experimental measurements are not available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Direct Ink Writing of 3D Zn Structures as High‐Capacity Anodes for Rechargeable Alkaline Batteries

The relationship between structure and performance in alkaline Zn batteries is undeniable, where anode utilization, dendrite formation, shape change, and passivation issues are all addressable through anode morphology. While tailoring 3D hosts can improve the electrode performance, these practices are inherently limited by scaffolds that increase the mass or volume. Herein, a direct write strategy for producing template‐free metallic 3D Zn electrode architectures is discussed. Concentrated inks are customized to build designs with low electrical resistivity (5 × 10 −4 Ω cm), submillimeter sizes (200 μm filaments), and high mechanical stability (Young's modulus of 0.1–0.5 GPa at relative densities of 0.28–0.46). A printed Zn lattice anode versus NiOOH cathode with an alkaline polymer gel electrolyte is then demonstrated. This Zn||NiOOH cell operates for over 650 cycles at high rates of 25 mA cm −2 with an average areal capacity of 11.89 mAh cm −2 , a cumulative capacity of 7.8 Ah cm −2 , and a volumetric capacity of 23.78 mAh cm −3 . A thicker Zn anode achieves an ultrahigh areal capacity of 85.45 mAh cm −2 and a volumetric capacity of 81.45 mAh cm −3 without significant microstructural changes after 50 cycles.

25 ENERGY STORAGE↗
DOE OSTI2026

A mechanistic, multiscale model for predicting Pd penetration in TRISO fuels using BISON

TRistructural ISOtropic (TRISO) particles use silicon carbide (SiC) as the primary structural member and barrier against metallic fission product (FP) release. palladiums (PDs), produced by fission in the fuel kernel, can diffuse to and chemically interact with the SiC layer, degrading its structural integrity and ability to contain radioactive FPs. Existing temperature-dependent correlations for predicting Pd penetration rely on experimental data with significant scatter due to varying conditions, potentially complicating ongoing fuel qualification and licensing efforts for advanced reactors that would subject TRISO fuels to operating conditions outside of those examined in the experiments. A mechanistic model of Pd production, transport, and reaction is developed in this work to better understand and predict PD attack of SiC in TRISO particles. molecular dynamicss (MDs) simulations are utilized to calculate the Pd diffusivity in SiC grain bulk and grain boundaries. A mesoscale phase-field diffusion model, informed by the MD diffusivities, is used to develop a reduced order model (ROM) for the effect of SiC microstructure on the Pd penetration rate. The engineering scale BISON model calculates Pd production and transport, utilizing the ROM to predict penetration rates consistent with experimental data. This novel mechanistic ROM captures the effect of temperature, microstructure, and irradiation history on Pd penetration. In conclusion, these new capabilities are expected to support ongoing qualification and licensing efforts associated with near-term TRISO-fueled reactor applications.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

A Strategic Condition Framework for Energy Innovation

Building upon previous work in innovation, technology, and economic fields, we propose a conceptual framework to address the interplay dynamics of public policy and the value chains of clean energy technology innovation systems, by focusing on market structural and strategic conditions in relation to the rate and direction of knowledge diffusion within activity-based value chains. Our framework extends beyond socio-technical transition models by considering such nuances as: 1) the implications of geography, 2) the locus of knowledge types, 3) the dynamics of financial and knowledge flow, and 4) emphasizing the importance of both market structure and institutional conditions. At the firm level, we consider dynamics of interactions between suppliers and customers, innovation activities, the competitive environment, and the firm’s broader strategic relationship to governance activities and structures; we allow for the fact that each of these aspects of a firm’s identity may have a strategically relevant geographic dimension (e.g., service territories, locational concentration of input resources, etc.). We provide a proof-of-concept application of the U.S. utility-scale solar photovoltaic (PV) and onshore wind sectors, including their interactions with the U.S. power market, which we in present in a web-based information platform (Energy I-SPARK, ei-spark.lbl.gov).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2012

Radiation-Hard SpaceWire/Gigabit Ethernet-Compatible Transponder

A radiation-hard transponder was developed utilizing submicron/nanotechnology from IBM. The device consumes low power and has a low fabrication cost. This device utilizes a Plug-and-Play concept, and can be integrated into intra-satellite networks, supporting SpaceWire and Gigabit Ethernet I/O. A space-qualified, 100-pin package also was developed, allowing space-qualified (class K) transponders to be delivered within a six-month time frame. The novel, optical, radiation-tolerant transponder was implemented as a standalone board, containing the transponder ASIC (application specific integrated circuit) and optical module, with an FPGA (field-programmable gate array) friendly parallel interface. It features improved radiation tolerance; high-data-rate, low-power consumption; and advanced functionality. The transponder utilizes a patented current mode logic library of radiation-hardened-by-architecture cells. The transponder was developed, fabricated, and radhard tested up to 1 MRad. It was fabricated using 90-nm CMOS (complementary metal oxide semiconductor) 9 SF process from IBM, and incorporates full BIT circuitry, allowing a loop back test. The low-speed parallel LVCMOS (lowvoltage complementary metal oxide semiconductor) bus is compatible with Actel FPGA. The output LVDS (low-voltage differential signaling) interface operates up to 1.5 Gb/s. Built-in CDR (clock-data recovery) circuitry provides robust synchronization and incorporates two alarm signals such as synch loss and signal loss. The ultra-linear peak detector scheme allows on-line control of the amplitude of the input signal. Power consumption is less than 300 mW. The developed transponder with a 1.25 Gb/s serial data rate incorporates a 10-to-1 serializer with an internal clock multiplication unit and a 10-1 deserializer with internal clock and data recovery block, which can operate with 8B10B encoded signals. Three loop-back test modes are provided to facilitate the built-in-test functionality. The design is based on a proprietary library of differential current switching logic cells implemented in the standard 90-nm CMOS 9SF technology from IBM. The proprietary low-power LVDS physical interface is fully compatible with the SpaceWire standard, and can be directly connected to the SFP MSA (small form factor pluggable Multiple Source Agreement) optical transponder. The low-speed parallel interfaces are fully compatible with the standard 1.8 V CMOS input/output devices. The utilized proprietary annular CMOS layout structures provide TID tolerance above 1.2 MRad. The complete chip consumes less than 150 mW of power from a single 1.8-V positive supply source.

Katzman, Vladimir↗
NASA NTRS2017

New Stagnation Arc Jet Model Design for Testing ADEPT 3-D Carbon Cloth

The ADEPT concept has been considered as an entry, descent and landing system to enable Human Mars class missions. Ground rules for the Mars studies required aerocapture, orbit, and then entry. The design utilizes a 3-D woven carbon cloth fabric as both heatshield and primary structure and design guidelines required 6 layers remaining after all entry events. The peak heating predicted for the ADEPT carbon cloth was 35 Wcm2 and resulting temperatures were predicted to be 1400K. Predictions for carbon mass loss were performed using equilibrium thermochemistry, which is only accurate for T2000K. Carbon oxidation is kinetically controlled at T2000K, and mass loss drops off considerably from equilibrium values. Design of the cloth thickness and mass would be significantly reduced if kinetics were considered. This effort was to design a stagnation test article design that could be used in the AHF with varying levels of oxygen where the results could be used to develop an engineering model to describe the recession rate of the carbon as a function of the partial pressure of monotomic oxygen.

carbon cloth↗
NASA NTRSDate not supplied

Magnetohydrodynamics (MHD) Aerocapture System for Enabling Faster-Larger Planetary Science & Human Exploration Missions

Since our completing the NIAC Phase I NIAC on this Advanced Aerocapture System, NASA Langley Research Center has funded or supported a number of studies and code enhancements through its Center Innovation Fund (CIF) and NASA’s NSTGRO and Internship Programs to mature the analysis capabilities and quantify the merits of the MHD Aerocapture System technology. These efforts have resulted in a plug and play analysis capability for assessing MHD aerocapture system performance for arrival at many planetary bodies of interest. Our efforts have especially focused on the potential mass savings for improving the capacity for science observations at Neptune and Triton. A re-cent Forbes article published “‘Orbital mechanics is probably going to decide for us whether we go to Uranus or Neptune because we need to flyby Jupiter,’ said Kunio Sayanagi at Hampton University, Virginia, who also worked on the Neptune Odyssey proposal…. Exactly when a mission can be sent to Uranus, or Neptune, depends on the relative position of Jupiter, which can help give a spacecraft a gravitational slingshot. That drastically shortens the cruise phase.” [1] Since shortening the cruise phase is important for these science missions, any mass savings enabled by the MHD Aerocapture System could be reallocated to increasing Thermal Protection System mass to allow faster arrival speeds and/or for onboarding additional payloads such as science instruments, batteries, or propellant for conducting more science for longer durations in the desired orbits. The analysis steps and codes for conducting trades and sizing vehicles for aerocapture are as follows: Step 1 is to conduct aeroheating analysis using LAURA of the selected entry vehicle shape to identify locations on the forebody where ionization and flow velocity are sufficient for producing Lo-rentz forces. LAURA is a multiblock structured grid finite-volume CFD solver developed at the NASA Langley Research Center. [2] LAURA has been used for aerothermal analysis support of the entry, de-scent and landing (EDL) phase of interplanetary missions over the last three decades [3-7]. Step 2 is to port the LAURA results into CFDWARP to calcu-late electrical and thermal conductivities of ionized flow for sizing MHD patch system and calculating Lorentz forces needed for controls analysis. CFDWARP is a CFD code that uses advanced nu-merical methods that enable the simulation of the full coupling between the aerodynamics, the magne-tohydrodynamics, and the non-neutral plasma sheaths. CFDWARP has the unique capability to simulate efficiently the non-neutral sheaths (near the electrodes) in coupled form with the quasi-neutral bulk MHD flow [8-11]. Step 3 is to link re-sults from LAURA and CFDWARP into POST2 for calculating entry trajectories and comparing MHD control results with other aerodynamic control strategies. The Program to Optimize Simulated Tra-jectories II (POST2) is a generalized point mass, discrete parameter targeting and optimization pro-gram. POST2 provides the capability to target and optimize point mass trajectories for multiple pow-ered or un-powered vehicles near an arbitrary rotat-ing, oblate planet [12]. Step 4: TPS sizing was per-formed using the Fully Implicit Ablation and Ther-mal-response code (FIAT) tool which computes the transient one-dimensional thermal response and surface thermochemistry of a multilayer stackup of thermal protection, bonding, and structural materi-als subject to aeroheating on one surface [13]. The sizing and margining methodology used was based on the approach documented by Mahzari and Milos [14] for the dual-layered heatshield for extreme entry environment technology (DL-HEEET) TPS concept. TPS analysis utilizes trajectory information from POST2. Using this step-wise plug and play MHD Aerocapture performance assessment process, our analysis targets a Neptune aerocapture trajectory that will place the spacecraft in an observation orbit for Triton. [15]. Magnetohydrodynamic (MHD) control of a 4.5-meter diameter MSL-style capsule resulted in TPS mass savings of nearly 2000 kg when using an MHD system mass of under 200 kg. The flight path for a vehicle using the MHD control strategy has a much lower heat rate and heat load compared to the conventional aerodynamic aerocapture strategies known as bank angle con-trolled (BAC) and direct force controlled (DFC). Both BAC and DFC have heat rates significantly greater than 1500 W/cm2 typically used as an upper limit for PICA. Thus, DL-HEEET TPS concept was required for the BAC and DFC control strategies. However, considering the more benign environ-ments for the MHD case, additional TPS concepts with improved mass efficiency were also assessed. PICA was considered for the MHD controlled strat-egy since the maximum heat rate was well within the limits (<1500 W/cm2) of PICA. TPS sizing re-sulted in a significant mass reduction. The PICA layer for this sizing case was about 7.8 cm. As a point of reference, the Mars 2020 mission, which used this same PICA concept, had a PICA thickness of 3.18 cm [16]. The trajectories used for the TPS sizing originat-ed from the POST2 simulations. The current, I, to an electromagnet configuration can be manipulated to allow for active control of the vehicle. Manipula-tion of the current, I, changes the magnetic field, B, which affects the Lorentz force and therefore the MHD drag force on the vehicle. Our analysis in-cluded both open-loop and close-loop control. Closed-loop control will enable improved overall performance when taking into account mission level uncertainties, such as interplanetary delivery errors and atmospheric modeling uncertainties. The open-loop and closed-loop MHD control cases do not dip as deep into the atmosphere as the aerodynamic cases. Three types of aerodynamic-only approach-es are investigated: bank angle modulation (BAM), director force control (DFC), and Drag Modulated. BAM and DFC make use of vehicle aerodynamic angles to steer the vehicle. Thus, changing the aer-odynamic forces acting on the vehicle for control, aerodynamic drag modulated case requires a vary-ing drag area to modulate the drag force. The MHD drag modulated case modulates MHD generated drag force that adds to the aerodynamic drag. This higher atmospheric activation of drag forces by the MHD patch results in significantly less heat flux on the vehicle. The MHD technology will enable shorter cruise times and deceleration of larger payloads for increasing the capacity for science at the Ice Giants or for returning astronauts to Earth from cislunar space or from Mars. The purpose of this presentation is to provide more details about this work and to highlight plans for further research and development including a flight demonstration.

R. W. Moses↗
DOE OSTI2024

Precision Measurements of the Neutron Magnetic Form Factor to High Momentum Transfer using Durand's Method

Protons and neutrons, collectively known as nucleons, along with electrons, constitute the funda- mental building blocks of the visible universe. Understanding their internal structure is crucial for addressing key scientific questions about our origin and existence. Elastic electron-nucleon scatter- ing provides insights into the spatial distributions of charge and current within nucleons through their electromagnetic form factors. Accurate knowledge of these form factors over a broad range of Q2, the squared four-momentum transfer in the scattering process, reveals details about the nucleon’s internal structure. However, high-Q2 data of the nucleon electromagnetic form factor is scarce due to the challenges associated with such measurements. This thesis reports preliminary results from high-precision measurements of the neutron magnetic form factor (Gn M ) to unprecedented Q2 using Durand’s method, also known as the “ratio” method. Systematic errors are greatly reduced by extracting Gn M from the ratio of neutron-coincident (D(e, e'n)) to proton-coincident (D(e, e'p)) quasi-elastic electron scattering from deuteron. The scattered electrons were detected in the BigBite spectrometer, which features multiple Gas Elec- tron Multiplier (GEM) layers with large active area for high-precision tracking at very high rates. Simultaneous nucleon detection was performed by the Super BigBite spectrometer, which utilizes a dipole magnet with large solid angle acceptance at forward angles and a novel hadron calorimeter with very high and comparable detection efficiencies for both protons and neutrons. This setup could handle very high luminosity, making high-Q2 measurements feasible. Data were collected at five Q2 points: 3, 4.5, 7.4, 9.9, and 13.6 (GeV/c)2. Preliminary results are reported for all, with the lowest two Q2 points in good agreement with existing world data, while the higher points significantly extend the Q2 range in which Gn M is known accurately. The precision of the highest Q2 point is expected to remain unmatched for years to come.

Datta, Provakar↗
DOE OSTI2020

Effects of Global and Regional Dust Storms on the Martian Hot O Corona and Photochemical Loss

Here, we examine for the first time the effects of both global and regional dust storms on the formation of the Martian hot O corona and associated photochemical loss of O. Our study is conducted by utilizing our integrated model framework, which couples our Martian hot O corona model with a multifluid magnetohydrodynamic model for Mars for the dusty and clear atmospheric condition cases. We present our results with the most up-to-date cross sections for the O( 3 P )-CO 2 collisions. The main effect of dust storms on the ionosphere is the upward shift of the ionosphere on the dayside, which results in an increase in production of hot O at all altitudes above the ionospheric peak. However, the dust-induced inflation of the neutral upper atmosphere results in an enhancement in collisional loss of hot O and thus effectively suppresses the hot O density, reducing the global photochemical loss rate by ~28% for the global dust storm scenario. The relative density structure of the hot O corona does not show any significant changes, while its magnitude decreases at all altitudes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Optimization of thermal barrier coating performance and durability over a drive cycle

A methodology to thermo-mechanically optimize a piston thermal barrier coating over a full drive cycle was established. The optimization objective was to minimize the heat transfer to the engine wall while maintaining structural integrity of the coating. Over 800 candidate materials were investigated and the optimization required more than one million non-road transient drive cycle calculations; real materials were investigated to ensure a realizable result and the existence of thermal and mechanical properties. High computational efficiency was achieved using a recently developed analytical heat transfer technique for multilayer engine walls. An uncoupled approach was utilized for the optimization, wherein the gas temperature and heat transfer coefficient profiles from a fully coupled and calibrated baseline model over the 20-min drive cycle were employed. The coating/piston interface temperature was constrained to be below the maximum piston service temperature limit. The durability was assessed using a recently developed analytical coating delamination framework for engine in-cylinder coatings based on the energy release rate when a crack forms. Results are presented for a mechanically unconstrained optimization and for cases constrained to three fixed levels of drive-cycle maximum energy release rate, and also constrained by the individual material’s toughness. The best-performing coating materials identified were verified using the fully coupled system-level model, which compared well to the uncoupled predictions. A study on the effect of adding a sealing layer to some high-performing, but porous, coatings showed a reduction in fuel consumption benefit and an increased exhaust temperature over the cycle, but the system still outperformed the uncoated case. The results of the study elucidate the importance of including engine performance and mechanical failure considerations in thermal barrier coating design.

Engineering↗
DOE OSTI2021

Constitutive Model Development for Aging Polymer Encapsulants (ASC P&EM FY2021 L2 Milestone 7836)

This SAND report fulfills the completion requirements for the ASC Physics and Engineering Modeling Level 2 Milestone 7836 during Fiscal Year 2021. The Sandia Simplified potential energy clock (SPEC) non-linear viscoelastic constitutive model was developed to predict a whole host of polymer glass physical behaviors in order to provide a tool to assess the effects of stress on these materials over their lifecycle. Polymer glasses are used extensively in applications such as electronics packaging, where encapsulants and adhesives can be critical to device performance. In this work, the focus is on assessing the performance of the model in predicting material evolution associated with long-term physical aging, an area that the model has not been fully vetted in. These predictions are key to utilizing models to help demonstrate electronics packaging component reliability over decades long service lives, a task that is very costly and time consuming to execute experimentally. The initiating hypothesis for the work was that a model calibration process can be defined that enables confidence in physical aging predictions under ND relevant environments and timescales without sacrificing other predictive capabilities. To test the hypothesis, an extensive suite of calibration and aging data was assembled from a combination of prior work and collaborating projects (Aging and Lifetimes as well as the DoD Joint Munitions Program) for two mission relevant epoxy encapsulants, 828DGEBA/DEA and 828DGEBA/T403. Multiple model calibration processes were developed and evaluated against the entire set of data for each material. A qualitative assessment of each calibration's ability to predict the wide range of aging responses was key to ranking the calibrations against each other. During this evaluation, predictions that were identified as non-physical, i.e., demonstrated something that was qualitatively different than known material behavior, were heavily weighted against the calibration performance. Thus, unphysical predictions for one aspect of aging response could generate a lower overall rating for a calibration process even if that process generated better quantitative predictions for another aspect of aging response. This insurance that all predictions are qualitatively correct is important to the overall aim of utilizing the model to predict residual stress evolution, which will depend on the interplay amongst the different material aging responses. The DSC-focused calibration procedure generated the best all-around aging predictions for both materials, demonstrating material models that can qualitatively predict the whole host of different physical aging responses that have been measured. This step forward in predictive capability comes from an unanticipated source, utilization of calorimetry measurements to specify model parameters. The DSC-focused calibration technique performed better than compression-focused techniques that more heavily weigh measurements more closely related to the structural responses to be predicted. Indeed, the DSC-focused calibration procedure was only possible due to recent incorporation of the enthalpy and heat capacity features into SPEC that was newly verified during this L2 milestone. Fundamentally similar aspects of the two material model calibrations as well as parametric studies to assess sensitives of the aging predictions are discussed within the report. A perspective on the next steps to the overall goal of residual stress evolution predictions under stockpile conditions closes the report.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Infusible thermoplastic resin based sandwich structures for wind blade applications and the influence of scrim on facesheet to core interface debonding

Infusible thermoplastic Elium® family of resins from Arkema have garnered much attention in recent years as a possible replacement for thermoset resins in laminate and sandwich composite manufacturing for wind blade applications due to its ease of recyclability and the ability to utilize existing manufacturing processes without imposing complicated variations. However, physical and mechanical properties of the proposed Elium® based thermoplastic composites must be comparable to existing epoxy (thermoset) based composites using manufacturing processes relevant for large wind turbine blades. A 13-meter-long demonstration blade was manufactured for that purpose and sandwich samples were obtained from that project for a detailed study. This paper details three-point flexural properties of unidirectional E-glass fiber reinforced acrylic and epoxy based sandwich panels with identical balsa wood core materials. In addition, to evaluate the relative merit considering debond failure mode, the interfacial critical strain energy release rate, predominantly in mode-1, was compared via single cantilever beam testing. In sandwich composites constructed with balsa wood core material, resin uptake by the balsa core is traditionally impeded via the insertion of a scrim material at the facesheet to core interface. Results revealed that inclusion of scrim mesh layer at the facesheet to core interface reduced flexural properties and strain energy release rates in panels infused with acrylic resin but did not significantly reduce these properties in epoxy infused facesheets.

Engineering↗
DOE OSTI2020

Topological controls on aluminosilicate glass dissolution: Complexities induced in hyperalkaline aqueous environments

Abstract Fly ash, an aluminosilicate composite consisting of disordered (major) and crystalline (minor) compounds, is a low‐carbon alternative that can partially replace ordinary portland cement (OPC) in the binder fraction of concrete. Therefore, understanding the reactivity of fly ash in the hyperalkaline conditions prevalent in concrete is critical to predicting concrete's performance; including setting and strength gain. Herein, temporal measurements of the solution composition (using inductively coupled plasma‐optical emission spectrometry: ICP‐OES) are used to assess the aqueous dissolution rate of monophasic synthetic aluminosilicate glasses analogous to those present in technical fly ashes, under hyperalkaline conditions (10 ≤ pH ≤ 13) across a range of temperatures (25°C ≤ T≤45°C). The dissolution rate is shown to depend on the average number of topological constraints per atom within the glass network (n c , unitless), but this dependence weakens with increasing pH (>10). This is postulated to be on account of: (a) time‐dependent changes in the glass’ surface structure, that is, the number of topological constraints; and/or (b) a change in the dissolution mechanism (eg from network hydrolysis to transport control). The results indicate that the topological description of glass dissolution is most rigorously valid only at very short reaction times (ie at high undersaturations), especially under conditions of hyperalkalinity. These findings provide an improved basis to understand the underlying factors that affect the initial and ongoing reactivity of aluminosilicate glasses such as fly ash in changing chemical environments, for example, when such materials are utilized in cementitious composites.

Oey, Tandré↗