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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
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NASA NTRS2005

A Broad-Band Phase-Contrast Wave-Front Sensor

A broadband phase-contrast wave-front sensor has been proposed as a real-time wave-front sensor in an adaptive-optics system. The proposed sensor would offer an alternative to the Shack-Hartmann wave-front sensors now used in high-order adaptive-optics systems of some astronomical telescopes. Broadband sensing gives higher sensitivity than does narrow-band sensing, and it appears that for a given bandwidth, the sensitivity of the proposed phase-contrast sensor could exceed that of a Shack-Hartmann sensor. Relative to a Shack-Hartmann sensor, the proposed sensor may be optically and mechanically simpler. As described below, an important element of the principle of operation of a phase-contrast wave-front sensor is the imposition of a 90deg phase shift between diffracted and undiffracted parts of the same light beam. In the proposed sensor, this phase shift would be obtained by utilizing the intrinsic 90 phase shift between the transmitted and reflected beams in an ideal (thin, symmetric) beam splitter. This phase shift can be characterized as achromatic or broadband because it is 90deg at every wavelength over a broad wavelength range.

Bloemhof, Eric↗
NASA NTRS2003

Scaling of Two-Phase Flows to Partial-Earth Gravity

A report presents a method of scaling, to partial-Earth gravity, of parameters that describe pressure drops and other characteristics of two-phase (liquid/ vapor) flows. The development of the method was prompted by the need for a means of designing two-phase flow systems to operate on the Moon and on Mars, using fluid-properties and flow data from terrestrial two-phase-flow experiments, thus eliminating the need for partial-gravity testing. The report presents an explicit procedure for designing an Earth-based test bed that can provide hydrodynamic similarity with two-phase fluids flowing in partial-gravity systems. The procedure does not require prior knowledge of the flow regime (i.e., the spatial orientation of the phases). The method also provides for determination of pressure drops in two-phase partial-gravity flows by use of a generalization of the classical Moody chart (previously applicable to single-phase flow only). The report presents experimental data from Mars- and Moon-activity experiments that appear to demonstrate the validity of this method.

Hurlbert, Kathryn M.↗
NASA NTRS2013

Characterizing the Phyllosilicates and Amorphous Phases Found by MSL Using Laboratory XRD and EGA Measurements of Natural and Synthetic Materials

The Curiosity Rover landed on the Peace Vallis alluvial fan in Gale crater on August 5, 2012. A primary mission science objective is to search for past habitable environments, and, in particular, to assess the role of past water. Identifying the minerals and mineraloids that result from aqueous alteration at Gale crater is essential for understanding past aqueous processes at the MSL landing site and hence for interpreting the site's potential habitability. X-ray diffraction (XRD) data from the CheMin instrument and evolved gas analyses (EGA) from the SAM instrument have helped the MSL science team identify phases that resulted from aqueous processes: phyllosilicates and amorphous phases were measure in two drill samples (John Klein and Cumberland) obtained from the Sheepbed Member, Yellowknife Bay Fm., which is believed to represent a fluvial-lacustrine environment. A third set of analyses was obtained from scoop samples from the Rocknest sand shadow. Chemical data from the APXS instrument have helped constrain the chemical compositions of these secondary phases and suggest that the phyllosilicate component is Mg-enriched and the amorphous component is Fe-enriched, relatively Si-poor, and S- and H-bearing. To refine the phyllosilicate and amorphous components in the samples measured by MSL, we measured XRD and EGA data for a variety of relevant natural terrestrial phyllosilicates and synthetic mineraloids in laboratory testbeds of the CheMin and SAM instruments. Specifically, Mg-saturated smectites and vermiculites were measured with XRD at low relative humidity to understand the behavior of the 001 reflections under Mars-like conditions. Our laboratory XRD measurements suggest that interlayer cation composition affects the hydration state of swelling clays at low RH and, thus, the 001 peak positions. XRD patterns of synthetic amorphous materials, including allophane, ferrihydrite, and hisingerite were used in full-pattern fitting (FULLPAT) models to help determine the types and abundances of amorphous phases in the martian rocks and sand shadow. These models suggest that the rocks and sand shadow are composed of approx 30% amorphous phases. Sulfate-adsorbed allophane and ferrihydrite were measured by EGA to further understand the speciation of the sulfur present in the amorphous component. These data indicate that sulfate adsorbed onto the surfaces of amorphous phases could explain a portion of the SO2 evolution in the Rocknest SAM data. The additional constraints placed on the mineralogy and chemistry of the aqueous alteration phases through our laboratory measurements can help us better understand the nature of the fluids that affected the different samples and devise a history of aqueous alteration for the Sheepbed Member of the Yellowknife Bay Fm. at Gale crater.

Rampe, Elizabeth B.↗
NASA NTRS2014

The Investigation of Magnesium Perchlorate/Iron Phase-mineral Mixtures as a Possible Source of Oxygen and Chlorine Detected by the Sample Analysis at Mars (SAM) Instrument in Gale Crater, Mars

The Sample Analysis at Mars (SAM) instrument onboard the Curiosity rover detect-ed O2 and HCl gas releases from the Rocknest (RN) eolian bedform and the John Klein (JK) and Cumber-land (CB) drill hole materials in Gale Crater (Fig. 1) [1,2]. Chlorinated hydrocarbons have also been detect-ed by the SAM quadrupole mass spectrometer (QMS) and gas chromatography/mass spectrometer (GCMS) [1,2,3,4]. These detections along with the detection of perchlorate (ClO4(-)) by the Mars Phoenix Lander's Wet Chemistry Laboratory (WCL) [5] suggesting perchlo-rate is a possible candidate for evolved O2 and chlorine species. Laboratory thermal analysis of individual per-chlorates has yet to provide an unequivocal tempera-ture match to the SAM O2 and HCl release data [1,2]. Catalytic reactions of Fe phases in the Gale Crater ma-terial with perchlorates can potentially reduce the de-composition temperatures of these otherwise pure per-chlorate/chlorate phases [e.g., 6,7]. Iron mineralogy found in the Rocknest materials when mixed with Ca-perchlorate was found to cause O2 release temperatures to be closer match to the SAM O2 release data and enhance HCl gas releases. Exact matches to the SAM data has unfortnunately not been achieved with Ca-perchlorate-Fe-phase mixtures [8]. The effects of Fe-phases on magnesium perchlorate thermal decomposi-tion release of O2 and HCl have not been evaluated and may provide improved matches to the SAM O2 and HCl release data. This work will evaluate the thermal decomposition of magnesium perchlorate mixed with fayalite/magnetite phase and a Mauna Kea palagonite (HWMK 919). The objectives are to 1) summarize O2 and HCl releases from the Gale Crater materials, and 2) evaluate the O2 and HCl releases from the Mg-perchlorate + Fe phase mixtures to determine if Mg-perchlorate mixed with Fe-phases can explain the Gale Crater O2 and HCl releases.

Sutter, B.↗
NASA NTRS2018

Development of a Ground Test and Analysis Protocol for NASA's NextSTEP Phase 2 Habitation Concepts

The NASA Next Space Technologies for Exploration Partnerships (NextSTEP) program is a public-private partnership model that seeks commercial development of deep space exploration capabilities to support human spaceflight missions around and beyond cislunar space. NASA first issued the Phase 1 NextSTEP Broad Agency Announcement to U.S. industries in 2014, which called for innovative cislunar habitation concepts that leveraged commercialization plans for low-Earth orbit. These habitats will be part of the Deep Space Gateway (DSG), the cislunar space station planned by NASA for construction in the 2020s. In 2016, Phase 2 of the NextSTEP program selected five commercial partners to develop ground prototypes. A team of NASA research engineers and subject matter experts (SMEs) have been tasked with developing the ground-test protocol that will serve as the primary means by which these Phase 2 prototypes will be evaluated. Since 2008, this core test team has successfully conducted multiple spaceflight analog mission evaluations utilizing a consistent set of operational tools, methods, and metrics to enable the iterative development, testing, analysis, and validation of evolving exploration architectures, operations concepts, and vehicle designs. The purpose of implementing a similar evaluation process for the Phase 2 Habitation Concepts is to consistently evaluate different commercial partner ground prototypes to provide data-driven, actionable recommendations for Phase 3. This paper describes the process by which the ground test protocol was developed and the objectives, methods, and metrics by which the NextSTEP Phase 2 Habitation Concepts will be rigorously and systematically evaluated. The protocol has been developed using both a top-down and bottom-up approach. Top-down development began with the Human Exploration and Operations Mission Directorate (HEOMD) exploration objectives and ISS Exploration Capability Study Team (IECST) candidate flight objectives. Strategic questions and associated rationales, derived from these candidate architectural objectives, provide the framework by which the ground-test protocol will address the DSG stack elements and configurations, systems and subsystems, and habitation, science, and EVA functions. From these strategic questions, high-level functional requirements for the DSG were drafted and associated ground-test objectives and analysis protocols were established. Bottom-up development incorporated objectives from NASA SMEs in autonomy, avionics and software, communication, environmental control and life support systems, exercise, extravehicular activity, exploration medical operations, guidance navigation and control, human factors and behavioral performance, human factors and habitability, logistics, Mission Control Center operations, power, radiation, robotics, safety and mission assurance, science, simulation, structures, thermal, trash management, and vehicle health. Top-down and bottom-up objectives were integrated to form overall functional requirements - ground-test objectives and analysis mapping. From this mapping, ground-test objectives were organized into those that will be evaluated through inspection, demonstration, analysis, subsystem standalone testing, and human-in-the-loop (HITL) testing. For the HITL tests, mission-like timelines, procedures, and flight rules have been developed to directly meet ground test objectives and evaluate specific functional requirements. Data collected from these assessments will be analyzed to determine the acceptability of habitation element configurations and the combinations of capabilities that will result in the best habitation platform to be recommended by the test team for Phase 3.

Gernhardt, Michael L.↗
NASA NTRS2016

Phase Retrieval Implementation for the WFIRST Coronagraph Development Testbed

The Wide-Field Infrared Survey Telescope (WFIRST) is a 2.4m diameter space telescope NASA program. The payload will include two instruments, including a coronagraph instrument (CGI). The CGI will be the first active, high-contrast stellar coronagraph in space intended for imaging, discovery, and spectral characterization of exoplanets and debris discs. The CGI designs under development use deformable mirrors (DM) to create a point spread function (PSF) with a dark region around the obscured star object. Each DM consists of an array of actuators, and each actuator causes a local displacement to a thin, mirror-coated, glass face sheet. The actuator displacements are designed to create the PSF. Typically, phase retrieval is used to set the DM actuator displacements to their designed pattern, and then the actuators are further modified by an iterative control loop to correct for system non-idealities. To observe an exoplanet near the star object, the contrast in the annular region must be better than 10^8 (10^9 after post processing) relative to the unobstructed image of the star [1,2]. The coronagraph testbed at Jet Propulsion Laboratory is used to test coronagraph design and control algorithms. The optical system (Fig. 1) is maintained in a vacuum tank so that the PSF is stable for long integration times. Phase retrieval is an important tool for the testbed and serves several purposes, in addition to setting initial DM actuator displacements. Other uses include evaluation of systematic wavefront error introduced by system components, and alignment of the DMs and pupil masks. For example, the location of specific DM actuators relative to the Lyot mask can be determined by displacing the actuator, then measuring the location of the phase disturbance in the pupil plane with phase retrieval. In the next section we further describe the optical train of the testbed and the collection of source and pupil images available as inputs for phase retrieval, as well as one phase retrieval algorithm employed. Section 3 shows example phase retrieval results.

Marx, David↗
NASA NTRS2019

Detecting Nighttime Fire Combustion Phase by Hybrid Application of Visible and Infrared Radiation from Suomi NPP VIIRS

An accurate estimation of biomass burning emissions is 1 partially limited by the lack of knowledge of fire burning phase (smoldering vs. flaming). In recent years, several fire detection products have been developed to provide information of fire radiative power (FRP), location, size, and temperature of fire pixels, but no information regarding fire burning phase is retrieved. The Day-Night band (DNB) aboard Visible Infrared Imaging Radiometer Suite (VIIRS) is sensitive to visible light from flaming fires in nighttime scenes. In contrast, VIIRS 4 m moderate resolution band #13 (M13), though capable of detecting fires at all phases, has no direct sensitivity for discerning fire phase. However, the hybrid usage of VIIRS DNB and M-bands data is hampered by their different scanning technology and spatial resolution. In this study, we present a novel method to rapidly and accurately resample DNB pixel radiances to the footprint of M-band pixels, accounting for onboard detector aggregation schemes and bowtie effect removals. The visible energy fraction (VEF) is subsequently introduced as an indicator of fire burning phase VEF is calculated as the ratio of visible light power (VLP) to FRP for each fire pixel retrieved from the VIIRS 750 m active fire product. A global distribution of VEF values, and thereby the fire phase, is quantitatively obtained, showing smaller VEF values in regions with mostly smoldering wildfires, such as peatland fires in Indonesia, larger VEF values in regions with flaming wildfires over grasslands and savannas in the sub-Sahelian region, and the largest VEF values associated with gas flaring in the Middle East. Mean VEF for different land cover types or regions is highly correlated with modified combustion efficiency (MCE). These results, together with a case study of the 2018 California Camp Fire, show that the VEF has the potential to be an indicator of fire combustion phase for each fire pixel, appropriate for estimating emission factors at the satellite pixel level.

Jun Wang↗
NASA NTRS2019

Investigation of Anti-Phase Asymmetric Quiet Rotor Technology

The future of urban air mobility has a well-known tall pole challenge in the form of community acceptance which largely comes from the noise. This paper presents a proposed anti-phase rotor technology that could reduce noise sources such as blade vortex interaction noise. The anti-phase rotor technology includes a rotor design with various anti-phase alternating trailing edge patterns and a rotor design with an asymmetric blade tip. Four small-scale anti-phase rotors are fabricated by 3D printing for acoustic measurements conducted in a low-speed open-circuit wind tunnel to assess the effectiveness of the proposed anti-phase rotor technology. Preliminary test results appear to be promising and indicate that the anti-phase rotor designs could be a practical means of reducing blade vortex interactions and noise. The four tested anti-phase rotor designs have peak acoustic performance depending on the RPM and thrust which suggests improved performance through design optimization could be achieved for specific mission requirements.

Cramer, Nicholas B.↗
NASA NTRS2018

Working Fluid Trade Study for a Two-Phase Mechanically Pumped Loop Thermal Control System

NASA Jet Propulsion Laboratory is investigating a two-phase mechanically pumped fluid loop (MPFL) technology for spacecraft thermal control for future planetary space science mission concepts. The two-phase technology combines the potential of single-phase MPFL and the passive two-phase heat pipe systems. Previous two-phase MPFL studies at JPL have identified an evaporator system with a separated flow architecture as providing a robust light mass thermal control system with very high spatial and temporal thermal stability required by the science instruments on these missions. These studies have further identified the thermophysical properties of the working fluid to be key to the performance of a two-phase fluid loop. This paper describes the methodology used in the selection of the working fluids for optimizing the performance of the two-phase MPFL. A high level model was developed that includes the constraints and boundaries driven by the system components. The performance of fluids from the REFPROP database are investigated and rated for this system. The working fluid attributes such as cost, hazardous properties, and heritage were taken into account in this selection. A typical spacecraft dissipating 1000 W and a fluid loop consisting of an evaporator, accumulator, radiator, and associated tubing components is used as an example in this study.

Daimaru, Takuro↗
NASA NTRS2018

Working Fluid Trade Study for a Two-Phase Mechanically Pumped Loop Thermal Control System

NASA Jet Propulsion Laboratory is investigating a two-phase mechanically pumped fluid loop (MPFL) technology for spacecraft thermal control for future planetary space science mission concepts. The two-phase technology combines the potential of single-phase MPFL and the passive two-phase heat pipe systems. Previous two-phase MPFL studies4,5 at JPL have identified an evaporator system with a separated flow architecture as providing a robust light mass thermal control system with very high spatial and temporal thermal stability required by the science instruments on these missions. These studies have further identified the thermophysical properties of the working fluid to be key to the performance of a two-phase fluid loop. This paper describes the methodology used in the selection of the working fluids for optimizing the performance of the two-phase MPFL. A high level model was developed that includes the constraints and boundaries driven by the system components. The performance of fluids from the REFPROP database were investigated and rated for this system. The working fluid attributes such as cost, hazardous properties, and heritage were taken into account in this selection. A typical spacecraft dissipating 1000 W and a fluid loop consisting of an evaporator, accumulator, radiator, and associated tubing components was used as an example in this study.

Daimaru, Takuro↗
NASA NTRSDate not supplied

Pressure Gradient and Gas Hold-Up in Two-Phase Flows through Porous Media in Microgravity

Single and two-phase flow through porous media are encountered on ground and in space in numerous applications related to life support systems, fuel cells, chemical/materials processing and transporting nutrients to plants. These systems operate differently in the microgravity environment encountered in space travel because the density differences no longer cause the phases to separate or “drain” under the body force of gravity. In the absence of gravity, the interfacial or capillary forces play a more significant role in determining the operational variables such as phase distribution, liquid holdup, and pressure drop especially when the liquid inertia and viscous forces are at minimum. Lower liquid flow rates in air-water two-phase flows represent the case for most of the space processes that depend on two-phase flows in porous media. The Packed Bed Reactor Experiment (PBRE) was developed and flown on the International Space Station (ISS) by NASA to extend a series of fundamental studies of gas-liquid flows through porous media. The goal of the this series of flight experiments (PBRE-1 and PBRE-2) is to better understand the hydrodynamics of two phase flows in porous media in flow regimes dominated by inertia and viscous effects and understanding the role of the interfacial forces and their role in determining the flow dynamics. The flight experiments were preceded by a series of low gravity experiments performed on the low gravity aircraft. These experiments led to the development of a semi-empirical two-phase pressure drop and flow pattern transition in support of a number of reactor beds planned for water reclamation processes onboard of the international space station. The PBRE flight experiment was designed to deliver a wide range of tightly controlled gas (nitrogen) and liquid (water) flows to one of two interchangeable test sections differing only in the type of internal packing material. In this presentation, we describe the PBRE-2 experiment and present preliminary low gravity data on pressure drop and gas hold-up and compare with semi-empirical model pressure drop predictions.

Brian Motil↗
NASA NTRS2022

Role of RpoS in regulating stationary phase Salmonella Typhimurium pathogenesis-related stress responses under physiological low fluid shear force conditions

The discovery that biomechanical forces regulate microbial virulence was established with the finding that physiological low fluid shear (LFS) forces altered gene expression, stress responses, and virulence of the enteric pathogen Salmonella enterica serovar Typhimurium during log phase. These log phase LFS-induced phenotypes were independent of the master stress response regulator, RpoS (S). Given the central importance of RpoS in regulating stationary phase stress responses of S. Typhimurium cultured under conventional shake flask and static conditions, we examined its role in stationary phase cultures grown under physiological LFS. We constructed an isogenic rpoS mutant derivative of wild type S. Typhimurium and compared the ability of these strains to survive in vitro pathogenesis-related stresses that mimic those encountered in the infected host and environment. We also compared the ability of these strains to colonize (adhere, invade, and survive within) human intestinal epithelial cell cultures. Unexpectedly, LFS-induced resistance of stationary phase S. Typhimurium cultures to acid and bile salts stresses did not rely on RpoS. Likewise, RpoS was dispensable for stationary phase LFS cultures to adhere to and survive within intestinal epithelial cells. In contrast, the resistance of these cultures to challenge with oxidative and thermal stresses, and their invasion into intestinal epithelial cells was influenced by RpoS. These findings expand our mechanistic understanding of how physiological fluid shear forces modulate stationary phase S. Typhimurium physiology in unexpected ways and provide clues into microbial mechanobiology and nuances of Salmonella responses to microenvironmental niches in the infected host.

Karla Franco Meléndez↗
NASA NTRS2022

Mars 2020 Perseverance Rover Surface Operations Commissioning Phase Overview

This paper presents work done by the Mars 2020 Project to plan, test, and execute the Mars 2020 Perseverance Rover surface operations commissioning phase. Immediately after the successful landing of Mars 2020 Perseverance rover at Jezero Crater on February 18, 2021, the rover autonomously initiated mission critical commanding necessary to transition the vehicle from a Cruise/EDL to Surface operations configuration. This began the surface operations commissioning phase, referred to as Surface Operations Transition (SOX). The objective of SOX phase is to establish vehicle health and safety and to verify that the operational characteristics of the vehicle, now operating in the Martian environment, are as-expected and safe to proceed into nominal operations. The SOX commissioning phase is organized into six logical sub-phases occurring in the following chronological order; (1) SOX1a, (2) FSW Transition, (3) SOX1b, (4) SOX2a, (5) Heli, (6) SOX2b. In total, the SOX commissioning phase was expected to take up-to 111 sols (Martian days). The Perseverance rover is an extremely complex, highly-integrated, robotic system-of-systems that requires numerous activities to incrementally and methodically verify their safe operations. This paper will discuss the development process used to plan, test, and execute the SOX commissioning phase for Mars 2020 Perseverance rover surface operations. We will discuss key challenges associated with SOX development as well as actual operations execution experience.

Koch, Justin↗
NASA NTRSDate not supplied

Sources of Uncertainty in Ultrasonic Phase-Based Assessment of Interfacial Stiffness in Adhesive Joints

Quantitative nondestructive evaluation (NDE) of adhesive joint strength is critical for certifying fastener-free bonded aerospace structures. Unfortunately, available adhesive NDE approaches are only suitable for detecting gross defects and delamination and cannot reliably detect variations in strength in intact bonds. Intact (i.e., nominally defect free) bonds are challenging to inspect because they, by definition, contain no macroscopic defects that would produce a strong NDE signature. Even in the absence of obvious defects, however, bond strength can vary substantially due to factors such as contamination, variations in the adhesive cure processes, and environmental exposure. For ultrasonic bond inspections, the effect of interactions from an imperfect adhesive interface are subtle and may include changes in the frequency content or phase of the ultrasonic signal. The bond condition can be deduced from these subtle changes in the acoustic response using an accompanying physics-based model of adhesive joint interaction. For example, researchers have used the spring network adhesion model of Baik and Thompson [1] to determine the interfacial stiffness of the joint from its ultrasonic response (e.g., [2]). This interfacial stiffness metric describes the bonds resistance to separation between the adhesive and adherent and has shown a strong correlation with joint strength. In this study, interfacial stiffness is assessed using the ultrasonic phase change associated with bond interaction in varying bond conditions. The phase change is measured precisely using a phase-locked-loop instrument over a swept range of frequencies. The phase transition at resonance, where the bond thickness is half the acoustic wavelength, produces a unique signature with which to fit a physics-based model. Interfacial stiffness is determined by minimizing the difference between the theoretical and experimental phase response. Experimental results are presented for glass specimens bonded with aerospace adhesives and a sensitivity analysis is performed to examine the effects of parameters that may be uncertain in the industrial inspection environment – namely bond thickness, adhesive and adherent properties, and porosity. The results are a first step toward an uncertainty quantified version of the measurement technique, show correlation between interfacial stiffness and bond strength, and are another key step toward maturing this approach for use in complex materials and joint geometries. [1] Baik, J.M. and Thompson, R.B., 1984. “Ultrasonic scattering from imperfect interfaces: a quasi-static model”. Journal of Nondestructive Evaluation, 4. [2] Haldren, H.A., Perey, D.F., Yost, W.T., Cramer, K.E., and Gupta, M.C., 2019. “Swept-frequency ultrasonic phase evaluation of adhesive bonding in tri-layer structures”. Journal of the Acoustical Society of America, 145.

Matt Webster↗
DOE OSTI2025

Phase transformation kinetics model for metals

We develop a new model for phase transformation kinetics in metals by generalizing the Levitas–Preston (LP) phase field model of martensite phase transformations (see Levitas and Preston (2002a,b) and Levitas et al. (2003)) to arbitrary pressure. Furthermore, we account for and track: the interface speed of the pressure-driven phase transformation, properties of critical nuclei, as well as nucleation at grain sites and on dislocations and homogeneous nucleation. The volume fraction evolution of each phase is described by employing KJMA (Kolmogorov, 1937; Johnson and Mehl, 1939; Avrami, 1939, 1940, 1941) kinetic theory. We then test our new model for iron under ramp loading conditions and compare our predictions for the α → ϵ iron phase transition to experimental data of Smith et al. (2013). In conclusion, more than one combination of material and model parameters (such as dislocation density and interface speed) led to good agreement of our simulations to the experimental data, thus highlighting the importance of having accurate microstructure data for the sample under consideration.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Systematic discovery of new nano-scale metastable intermetallic eutectic phases in laser rapid solidified Aluminum-Germanium alloy

Laser surface remelting of as-cast Al-Ge eutectic alloy is shown to produce ultrafine lamellar eutectic morphology with interlamellar spacing refined up to ∼60 nm and composed of FCC Al solid solution and unusual Al x Ge y intermetallic phases that do not form during near-equilibrium solidification. The microstructures are characterized and analyzed using a combination of selected area electron diffraction, high-resolution scanning transmission electron microscopy, energy dispersive X-ray spectroscopy to obtain high-resolution elemental maps, and atomistic modeling using density functional theory followed by atomic-scale image simulation. Depending on the local solidification conditions, the crystallography of the Al x Ge y intermetallic phases in the eutectic microstructure is either monoclinic (C 2/c) or monoclinic (P 2 1 ), with high densities of defects in both cases. This is in sharp contrast to the as-cast alloys that showed nominally pure Al and Ge phases with significant solute partitioning and equilibrium FCC and diamond cubic crystal structures, respectively. Corresponding kinetic phase diagrams are proposed to interpret the evolution of nano-lamellar eutectic morphologies with equilibrium Al and metastable Al x Ge y phases, and to explain increased solid solubility in the Al phases manifested by precipitation of ultrafine clusters of Ge. Furthermore, the reasons for the formation of these metastable eutectics under laser rapid solidification are discussed from the perspective of the competitive growth criterion.

Al-Ge eutectic↗
DOE OSTI2026

First-principles thermodynamic assessment of Sr-containing secondary phase formation in strontium-substituted lanthanum manganites for solid oxide cell applications

Sr-secondary phase formation is a potentially significant degradation mode with direct impact upon solid-oxide cell (SOC) commercial viability. A first-principles based thermodynamic study was performed for La 1−x Sr x MnO 3±δ (LSM) perovskites to assess their stability against formation of different Sr-secondary phases, including SrO, SrCrO 4 , SrSO 4 , SrCO 3 , and Sr(OH) 2 , for SOC applications. The Sr-secondary phase formation reaction free energies were determined via a thermodynamic model by combining ab initio lattice dynamics calculations for the solid phases and ab initio thermodynamic data for the gas phases. The current approach expands the previously reported thermodynamic modeling studies by integrating first-principles based point defect equilibria into the thermodynamic analysis. The modeling results obtained using this new approach indicate an increased tendency to form the SrO oxide upon decreasing the oxygen partial pressure. Additionally, the enhancing factors to form the Sr-related secondary phase from the associated SrO activity in LSM are further quantified by considering the equilibrium of SrO reacting with the contaminant gas species as a function of temperature and pressure.

defect thermodynamics modeling↗
DOE OSTI2024

A brief review on strain engineering of ferroelectric K x Na 1- x NbO 3 epitaxial thin films: Insights from phase-field simulations

Strains play a pivotal role in determining the phase equilibrium, domain configuration, and functional properties of the low-dimensional ferroelectrics. There is growing interest in the strain engineering of ferroelectric K x Na 1- x NbO 3 (KNN) epitaxial thin films, which exhibit excellent physical properties and promise as eco-friendly alternatives to lead-based ferroelectrics for microdevice applications. Further, advances have been made in understanding the phase equilibria and transitions, domains and domain walls, and their relations to the physical properties of KNN epitaxial thin films using a combination of experiments and theoretical modeling, particularly phase-field simulations. Here, we review recent progress in these aspects and showcase the phase-field method for establishing strain phase diagrams, elucidating the domain and domain wall structures at equilibrium, and predicting the structure–property relationships in ferroelectric KNN thin films. We also discuss challenges and opportunities to further advance our understanding of KNN thin films and potentially unlock new functionalities by leveraging phase-field simulations.

36 MATERIALS SCIENCE↗