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Results for “PHASE STABILITY”

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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

MX precipitate behavior in an irradiated advanced Fe-9Cr steel: Helium effects on phase stability

As part of an ongoing series aimed at optimizing Fe-9Cr reduced activation ferritic/martensitic (RAFM) alloys for fusion energy systems, this study explores MX precipitate behavior under dual-ion irradiations, specifically examining correlations between helium transmutation and irradiation-induced damage. Utilizing single and dual-beam ion irradiation, the research explores the combined effects of helium (10–25 appm He/dpa), temperature (400–600 °C), and damage levels (15–100 dpa) on the microstructural evolution of CNA9 steel, a variant of Castable Nanostructured Alloys (CNAs). The study demonstrates that helium co-implantation hinders radiation-enhanced coarsening of MX-TiC precipitates at 500 and 600 °C, maintaining MX-TiC precipitate stability at moderate damage levels (15 dpa) but failing to prevent complete precipitate dissolution at higher damage levels (≥50 dpa) when irradiated at 500 °C. Here, a generalized precipitate stability model suggests that helium-induced suppression of diffusion alters the balance between recoil resolution and back diffusion for MX-TiC precipitates, enhancing the current understanding of precipitate behavior under damage and transmutation simulated dual-ion irradiation conditions.

Characterization↗
DOE OSTI2021

A systematic analysis of phase stability in refractory high entropy alloys utilizing linear and non-linear cluster expansion models

We report that obtaining surrogate models for various types of materials has long been a goal of computational material scientists and physicists, as they allow the calculation of thermodynamic quantities and properties of interest far more efficiently than DFT. Many surrogate models, including interatomic potentials generated by machine learning algorthims and cluster expansions, rely on incorporating many-body interactions such as three-body or four-body interactions. When utilizing machine learning algorithms for interatomic potentials, it is common to start with two-body interactions and systematically include three- and four-body clusters to improve the fit, stopping when including the additional clusters does not measurably change the predictive power of the model. In cluster expansions for FCC and related lattices, it is often enough to include mostly two-body interactions and a handful of three-body interactions. However, it remains to be seen whether those will be enough in the case of lattices with a lower packing fraction, such as BCC.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Microstructural and microchemical studies of phase stability in V-O solid solution

Over the last couple of decades vanadium and V-based alloys have received significant attention as a potential structural material for fusion power applications because of their favourable mechanical properties under irradiation and at elevated temperatures. They are also considered as the advanced options of storage materials for hydrogen and its isotopes. However, the higher affinity of V for O, C and N poses critical challenges in its engineering applications since they lead to degradation of mechanical properties. They can further interact with the matrix to produce metallic oxy-carbo-nitride precipitates. To a certain limit, these precipitates are beneficial and can be exploited to enhance the mechanical behaviour of the alloy through suitable microstructural design. However, this requires a prior knowledge of the interaction between the alloy and the impurity solutes. In the present work vanadium specific experiments have been designed and carried out to bring out the V-interstitial solute interaction by charging oxygen in the near surface region of vanadium. Microstructural and microchemical behaviour of the V-O solid solution has been studied through HRTEM (high resolution transmission electron microscopy) and HAADF (high angle annular dark field) coupled with EELS. Quantitative electron microscopy has been carried out to study structural modification of the alloy in atomic level caused by O charging. - Highlights: •Controlled experiments were carried out in pulsed laser ablation set-up to promote V-O interaction. • As a consequence of O dissolution, V transformed into a bct structure which is otherwise a bcc structure. •In V-O solid solution, dissolved O in the V matrix introduces significant amount of lattice strain. • Present work can be extended for introducing interstitial O in other pure transition metals and their alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Hydrothermal phase stability study of Li{sub 2}B{sub 4}O{sub 7}

Growth of Li{sub 2}B{sub 4}O{sub 7} by the hydrothermal method was attempted in 10{sup −6} M LiOH, by both spontaneous nucleation and transport growth. Li{sub 2}B{sub 4}O{sub 7} grew out of the first spontaneous nucleation reaction, while the seed dissolved and γ-LiBO{sub 2} formed during the transport growth reactions. A species thermodynamic stability study showed that γ-LiBO{sub 2} formed exclusively from 350 °C to 550 °C, and Li{sub 3}B{sub 5}O{sub 8}(OH){sub 2} was observed at 250 °C; Li{sub 2}B{sub 4}O{sub 7} was not observed. A solubility study on Li{sub 2}B{sub 4}O{sub 7} did not achieve equilibrium conditions, but did demonstrate that γ-LiBO{sub 2} is significantly more thermodynamically stable than Li{sub 2}B{sub 4}O{sub 7} under the tested conditions. Formation of Li{sub 2}B{sub 4}O{sub 7} hydrothermally was shown to result from kinetic growth. - Graphical abstract: Every boron in lithium γ-metaborate is tetrahedrally coordinated with oxygen, and each tetrahedron is linked to four other tetrahedrons, creating a strong B-O lattice surrounding the lithium atoms. - Highlights: • Li{sub 2}B{sub 4}O{sub 7} was grown hydrothermally via spontaneous nucleation in 10{sup −6} M LiOH. • γ-LiBO{sub 2} formed from 350 °C to 550 °C and Li{sub 3}B{sub 5}O{sub 8}(OH){sub 2} was observed at 250 °C. • A solubility study showed γ-LiBO{sub 2} to be more thermodynamically stable than Li{sub 2}B{sub 4}O{sub 7}. • Hydrothermal formation of Li{sub 2}B{sub 4}O{sub 7} was shown to result from kinetic growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Coherent-Precipitation-Stabilized Phase Formation in Over-Stoichiometric Rocksalt-Type Li Superionic Conductors

Rationalizing synthetic pathways is crucial for material design and property optimization, especially for polymorphic and metastable phases. Over-stoichiometric rocksalt (ORX) compounds, characterized by their face-sharing configurations, are a promising group of materials with unique properties; however, their development is significantly hindered by challenges in synthesizability. Here, taking the recently identified Li superionic conductor, over-stoichiometric rocksalt Li–In–Sn–O (o-LISO) material as a prototypical ORX compound, the mechanisms of phase formation are systematically investigated. It is revealed that the spinel-like phase with unconventional stoichiometry forms as coherent precipitate from the high-temperature-stabilized cation-disordered rocksalt phase upon fast cooling. This process prevents direct phase decomposition and kinetically locks the system in a metastable state with the desired face-sharing Li configurations. This insight enables us to enhance the ionic conductivity of o-LISO to be >1 mS cm -1 at room temperature through low-temperature post-annealing. This work offers insights into the synthesis of ORX materials and highlights important opportunities in this new class of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Deciphering Melatonin-Stabilized Phase Separation in Phospholipid Bilayers

Lipid bilayers are fundamental building blocks of cell membranes, which contain the machinery needed to perform a range of biological functions, including cell–cell recognition, signal transduction, receptor trafficking, viral budding, and cell fusion. Importantly, many of these functions are thought to take place in the laterally phase-separated regions of the membrane, commonly known as lipid rafts. In this paper, we provide experimental evidence for the “stabilizing” effect of melatonin, a naturally occurring hormone produced by the brain’s pineal gland, on phase-separated model membranes mimicking the outer leaflet of plasma membranes. Specifically, we show that melatonin stabilizes the liquid-ordered/liquid-disordered phase coexistence over an extended range of temperatures. The melatonin-mediated stabilization effect is observed in both nanometer- and micrometer-sized liposomes using small angle neutron scattering (SANS), confocal fluorescence microscopy, and differential scanning calorimetry. To experimentally detect nanoscopic domains in 50 nm diameter phospholipid vesicles, we developed a model using the Landau–Brazovskii approach that may serve as a platform for detecting the existence of nanoscopic lateral heterogeneities in soft matter and biological materials with spherical and planar geometries.

42 ENGINEERING↗
NASA NTRS2009

An Investigation of Rotorcraft Stability-Phase Margin Requirements in Hover

A cooperative study was performed to investigate the handling quality effects from reduced flight control system stability margins, and the trade-offs with higher disturbance rejection bandwidth (DRB). The piloted simulation study, perform on the NASA-Ames Vertical Motion Simulator, included three classes of rotorcraft in four configurations: a utility-class helicopter; a medium-lift helicopter evaluated with and without an external slung load; and a large (heavy-lift) civil tiltrotor aircraft. This large aircraft also allowed an initial assessment of ADS-33 handling quality requirements for an aircraft of this size. Ten experimental test pilots representing the U.S. Army, Marine Corps, NASA, rotorcraft industry, and the German Aerospace Center (DLR), evaluated the four aircraft configurations, for a range of flight control stability-margins and turbulence levels, while primarily performing the ADS-33 Hover and Lateral Reposition MTEs. Pilot comments and aircraft-task performance data were analyzed. The preliminary stability margin results suggest higher DRB and less phase margin cases are preferred as the aircraft increases in size. Extra care will need to be taken to assess the influence of variability when nominal flight control gains start with reduced margins. Phase margins as low as 20-23 degrees resulted in low disturbance-response damping ratios, objectionable oscillations, PIO tendencies, and a perception of an incipient handling qualities cliff. Pilot comments on the disturbance response of the aircraft correlated well to the DRB guidelines provided in the ADS-33 Test Guide. The A D-3S3 mid-term response-to-control damping ratio metrics can be measured and applied to the disturbance-response damping ratio. An initial assessment of LCTR yaw bandwidth shows the current Level 1 boundary needs to be relaxed to help account for a large pilot off-set from the c.g. Future efforts should continue to investigate the applicability/refinement of the current ADS-33 requirements to large vehicles, like an LCTR.

Blanken, Chris L.↗
NASA NTRS1990

Design of a fiber-optic transmitter for microwave analog transmission with high phase stability

The principal considerations in the design of fiber-optic transmitters for highly phase-stable radio frequency and microwave analog transmission are discussed. Criteria for a fiber-optic transmitter design with improved amplitude and phase-noise performance are developed through consideration of factors affecting the phase noise, including low-frequency laser-bias supply noise, the magnitude and proximity of external reflections into the laser, and temperature excursions of the laser-transmitter package.

Logan, R. T., Jr.↗
DOE OSTI2017

Equilibrium high entropy alloy phase stability from experiments and thermodynamic modeling

Long-term stability of high entropy alloys (HEAs) is a critical consideration for the design and practical application of HEAs. It has long been assumed that many HEAs are a kinetically-stabilized metastable structure, and recent experiments have confirmed this hypothesis by observing HEA ecomposition after long-termequilibration. In the presentwork,we demonstrate the use of the CALculation of PHAse Diagrams (CALPHAD) approach to predict HEA stability and processing parameters, comparing experimental long-term annealing observations to CALPHAD phase diagrams from a commercially-available HEA database. As a result, we find good agreement between single- and multi-phase predictions and experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Magnetic structure and phase stability of the van der Waals bonded ferromagnet Fe 3-x GeTe 2

The magnetic structure and phase diagram of the layered ferromagnetic compound Fe 3 GeTe 2 have been investigated by a combination of synthesis, x-ray and neutron diffraction, high-resolution microscopy, and magnetization measurements. Single crystals were synthesized by self-flux reactions, and single-crystal neutron diffraction finds ferromagnetic order with moments of 1.11(5)μ B /Fe aligned along the c axis at 4 K. These flux-grown crystals have a lower Curie temperature T c ≈ 150 K than crystals previously grown by vapor transport (T c = 220 K). The difference is a reduced Fe content in the flux-grown crystals, as illustrated by the behavior observed in a series of polycrystalline samples. As Fe content decreases, so do the Curie temperature, magnetic anisotropy, and net magnetization. Furthermore, Hall-effect and thermoelectric measurements on flux-grown crystals suggest that multiple carrier types contribute to electrical transport in Fe 3–x GeTe 2 and structurally similar Ni 3–x GeTe 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2018

Phase stability of γ'-Ni 2 Cr and α-Cr in the Ni-Cr binary

For this study, the stability of the γ'-Ni 2 Cr long-range order (LRO) phase present on the Ni-Cr binary phase diagram was examined in a Ni-55Cr (wt. %) alloy. It is shown that the γ'-Ni 2 Cr phase is metastable, and that the two-phase γ-Ni + α-Cr phase field extends to room temperature. The as-cast alloy consisted of a typical dendritic microstructure, with Cr-rich primary α-Cr dendrites and a Cr-lean, γ-Ni interdendritic. Annealing the as-cast alloy at 500°C for 1000 h (γ'-Ni 2 Cr + α-Cr phase field) resulted in pockets of α-Cr and γ-Ni + γ'-Ni 2 Cr at the dendritic/interdendritic interface, with little change to the interdendritic γ-Ni microstructure. Annealing at 900°C for 4 h (γ-Ni + α-Cr phase field) resulted in the interdendritic precipitation of α-Cr, both as a continuous and discontinuous precipitate. Annealing at 900°C for 4 h followed by 500°C for 1000 h resulted in the interdendritic precipitation of α-Cr at 900°C, but no precipitation of γ'-Ni 2 Cr during subsequent annealing at 500°C. This behavior suggests that the γ'-Ni 2 Cr phase is not the equilibrium phase, but rather a metastable transition phase. Furthermore, it is speculated that this phase in more complex alloys (i.e. Alloy 690) is also metastable, and its metastability should be considered in applications involving long-term, high temperature exposures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Predicting the Phase Stability of Multicomponent High-Entropy Compounds

A generic method to estimate the relative feasibility of formation of high-entropy compounds in a single phase, directly from first principles, is developed. As a first step, the relative formation abilities of 56 multicomponent, AO, oxides were evaluated. These were constructed from five cation combinations chosen from A = {Ca, Co, Cu, Fe, Mg, Mn, Ni, Zn}. Candidates for multicomponent oxides are predicted from descriptors related to the enthalpy and configurational entropy obtained from the mixing enthalpies of two-component oxides. The utility of this approach is evaluated by comparing the predicted combinations with the experimentally realized entropy-stabilized oxide, (MgCoCuNiZn)O. In the second step, Monte Carlo simulations are utilized to investigate the phase composition and local ionic segregation as a function of temperature. This approach allows for the evaluation of potential secondary phases, thereby making realistic predictions of novel multicomponent compounds that can be synthesized.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

New Constraints on the Melting Temperature and Phase Stability of Shocked Iron up to 270 GPa Probed by Ultrafast X-Ray Absorption Spectroscopy

Studying the properties and phase diagram of iron at high-pressure and high-temperature conditions has relevant implications for Earth’s inner structure and dynamics and the temperature of the inner core boundary (ICB) at 330 GPa. Also, a hexagonal-closed packed to body-centered cubic (bcc) phase transition has been predicted by many theoretical works but observed only in a few experiments. The recent coupling of high-power laser with advanced x-ray sources from synchrotrons allows for novel approaches to address these issues. Here, we present a study on shock compressed iron up to 270 GPa and 5800 K probed by single-pulse (100 ps FWHM) x-ray absorption spectroscopy (XAS). Based on the analysis of the XAS spectra, we provide structural identification and bulk temperature measurements along the Hugoniot up to the melting. These results rule out the predicted transition to a high-temperature bcc phase and allow one to discriminate among existing equations of state models and melting curves. In particular, we report the first bulk temperature measurement in shock compressed iron on the melting plateau at 240(20) GPa and 5345(600) K. The melting curve resulting from our work extrapolates to a temperature of 6202(514) K at 330 GPa and represents a refined upper bound for the ICB temperature. Published by the American Physical Society 2024

Balugani, S.↗
DOE OSTI2017

FPGA-Based Optical Cavity Phase Stabilization for Coherent Pulse Stacking

Coherent pulse stacking (CPS) is a new time-domain coherent addition technique that stacks several optical pulses into a single output pulse, enabling high pulse energy from fiber lasers. We develop a robust, scalable, and distributed digital control system with firmware and software integration for algorithms, to support the CPS application. We model CPS as a digital filter in the Z domain and implement a pulse-pattern-based cavity phase detection algorithm on an field-programmable gate array (FPGA). A two-stage (2+1 cavities) 15-pulse stacking system achieves an 11.0 peak-power enhancement factor. Each optical cavity is fed back at 1.5kHz, and stabilized at an individually-prescribed round-trip phase with 0.7deg and 2.1deg rms phase errors for Stages 1 and 2, respectively. Optical cavity phase control with nanometer accuracy ensures 1.2% intensity stability of the stacked pulse over 12 h. The FPGA-based feedback control system can be scaled to large numbers of optical cavities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

First-Principles Study of Phase Stability of bcc XZn (X = Cu, Ag, and Au) Alloys

First-principles density-functional theory is used to study the phase stability/instability and anomalies in the formation of the high-temperature bcc phases of X Zn (X = Cu, Ag, and Au) alloys. Although from perhaps a naive point of view, their properties are expected to monotonically depend on the noble-metal (X) column position in the periodic table, this is not the case. For example, the middle-column AgZn alloy has a lower bcc order-disorder (critical) temperature than the CuZn and AuZn alloys above and below in the column. It is shown that this and other nonmonotonic behaviors can be explained in terms of a competition between atomic-size effects and X-atom d-orbital spatial extent. For example, charge-density studies and pair-potential modeling of X Zn alloys show that the effective Ag-Zn bond is significantly weaker than either the Cu-Zn or Au-Zn bond at their respective equilibrium lattice constants. Furthermore, we find that an increased atomic-core size effect initially weakens the X-Zn bonding as one goes from CuZn to AgZn, but then the larger d-orbital spatial extent for higher principal quantum numbers becomes a more dominant effect and increases the bonding from AgZn to AuZn. In conclusion, this study is focused on the highly symmetric cubic high-temperature phases, where relative bond-strength magnitudes should be far more important than any bond-directionality effects; the lattice parameters, bulk moduli, elastic constants, Debye temperatures, heats of formation, and order-disorder temperatures for the bcc phases of the three X Zn alloys are calculated and compared with experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ab-initio predictions of phase stability, electronic structure, and optical properties of (0001)-MAX surfaces in M 2 AC (M = Cr, Zr, Hf; A = Al, Ga)

In this work, we report MAX phases' surface properties, which are essential for thin-film technology due to their excellent resistance to high-temperature oxidation, corrosion, and wear. The surface stability, electronic, and optical properties of 0001-surfaces in M 2 AC (M = Zr, Hf, Cr; A = Al, Ga) are investigated and compared with their bulk counterparts. The interplay between chemical bonding and charge distribution is discussed from electronic structure, including the Fermi surfaces. Four possible (0001)-terminated surfaces are considered by breaking M - C and M-A bonds in which cleavage energy of M - C is higher than M-A. The Cr–Al bond in Cr 2 AlC is stronger than other M-A bonds. The charge density of valance A-p electrons redistributes in the surface area, distinct from that of the bulk. The A- and M(C)-terminated (0001)-surfaces are the most stable and energetically favorable terminations due to lower surface energies. The optical properties of the most stable (0001)-surfaces were also investigated to understand the dielectric and photoconductive behavior in the (0001)-terminated surfaces of M 2 AC.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Phase stability, swelling, microstructure and strength of Ti 3 SiC 2 -TiC ceramics after low dose neutron irradiation

In this study, M n+1 AX n (MAX) phase Ti 3 SiC 2 materials were neutron irradiated at ~400, ~630, and 700 °C to a fluence of ~2 × 10 25 n/m 2 (E > 0.1 MeV). After irradiation at ~400 °C, anisotropic c-axis dilation of ~1.5% was observed. Room temperature strength was reduced from 445 ± 29 MPa to 315 ± 33 MPa and the fracture surfaces showed flat facets and transgranular cracks instead of typical kink-band deformation and bridging ligaments. XRD phase analysis indicated an increase of 10–15 wt% TiC. After irradiation at ~700 °C there were no lattice parameter changes, ~5 wt% decomposition to TiC occurred, and strength was 391 ± 71 MPa and 378 ± 31 MPa. The fracture surfaces indicated kink-band based deformation but with lesser extent of delamination than as-received samples. Finally, Ti 3 SiC 2 appears to be radiation tolerant at ~400 °C, and increasingly radiation resistant at ~630–700 °C, but a higher temperature may be necessary for full recovery.

36 MATERIALS SCIENCE↗