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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Non-equilibrium states and interactions in the topological insulator and topological crystalline insulator phases of NaCd4As3

Topological materials are of great interest because they can support metallic edge or surface states that are robust against perturbations, with the potential for technological applications. Here, we experimentally explore the light-induced non-equilibrium properties of two distinct topological phases in NaCd4As3: a topological crystalline insulator (TCI) phase and a topological insulator (TI) phase. This material has surface states that are protected by mirror symmetry in the TCI phase at room temperature, while it undergoes a structural phase transition to a TI phase below 200 K. After exciting the TI phase by an ultrafast laser pulse, we observe a leading band edge shift of >150 meV that slowly builds up and reaches a maximum after ∼0.6 ps and that persists for ∼8 ps. The slow rise time of the excited electron population and electron temperature suggests that the electronic and structural orders are strongly coupled in this TI phase. It also suggests that the directly excited electronic states and the probed electronic states are weakly coupled. Both couplings are likely due to a partial relaxation of the lattice distortion, which is known to be associated with the TI phase. In contrast, no distinct excited state is observed in the TCI phase immediately or after photoexcitation, which we attribute to the low density of states and phase space available near the Fermi level. Our results show how ultrafast laser excitation can reveal the distinct excited states and interactions in phase-rich topological materials.

Angle-resolved photoemission spectroscopy↗
DOE OSTI2024

Development of Ti 3 SiC 2 MAX phase tubular structures for solar receiver applications

Solar receiver tubes are key components of concentrating solar-thermal power (CSP) systems that harvest solar energy. For better efficiency, the Gen3 CSP receivers, which collect heat into a heat transfer fluid, require a temperature exceeding 700 °C during operation and need to perform under extreme conditions of high temperature and high thermal stress. Operators are seeking CSP designs using new high-temperature structural materials with high thermal conductivity and high creep resistance to achieve a design life of 30 years and thus help recover the plant capital cost sooner. MAX phase materials, which consist of an early transition metal element, an A-group element, and carbon or nitrogen, are expected to exhibit high creep resistance as well as high fracture toughness. Here, in this paper, we describe fabricating both (1) dense Ti 3 SiC 2 MAX phase disks and (2) short-length tubes using field-assisted sintering technology (FAST). First, the disk samples that we fabricated are fully dense and contain ≈90 % Ti 3 SiC 2 MAX phase materials and ≈10 % TiC phase materials. We determined a flexure strength of 519 ± 32 MPa by conducting a four-point bending test at room temperature with rectangular bar samples of ≈100 % density. The thermal conductivity of the Ti 3 SiC 2 MAX phase samples, measured by light flashing analysis, decreases linearly from a value of 41 W . m -1 . K -1 at room temperature to a value of 36 W . m -1 . K -1 at 650 °C. A solar reflectance measurement of the Ti 3 SiC 2 MAX phase revealed that, temperature increases from 400 to 1400 °C, thermal emittance increases from 0.39 to 0.49, while selectivity decreases from 1.8 to 1.4, respectively. Whereas the surface oxidized MAX phase samples after 100 h exposure to air at 1000 °C exhibit that of SiC. Next, we discuss fabrication of the crack-free Ti 3 SiC 2 MAX phase tubular structures accomplished by using FAST processing in graphite bedding. A Ti 3 SiC 2 MAX phase content of > 95 % with traceable ≈3% remaining TiC phase and ≈15 % porosity were demonstrated after high-temperature annealing. An average fracture strength of ≈250 MPa was determined with Ti 3 SiC 2 MAX phase tubes of ≈85 % density by diametral compression testing at room temperature. Our work demonstrated that using FAST processing to produce Ti 3 SiC 2 MAX phase tubular structures for CSP receiver applications is a viable approach.

14 SOLAR ENERGY↗
DOE OSTI2024

Surveying Phase Modifier Functional Groups for Applications to Ln(III) Separations

The application of N,N,N',N'-tetraoctyl diglycolamide (TODGA) in solvent extraction systems for lanthanide (Ln) separations is well understood. In these systems, the formation of a third phase has motivated the use of phase modifiers to enable higher concentrations of H + and Ln common to industrial processes. Several different phase modifiers with applications to diglycolamide (DGA) systems have previously been reported, with a focus on tri-n-butyl phosphate (TBP), N,N'-dihexylactanamide (DHOA), N,N-dioctyl-2-hydroxyacetamide (DOHyA), N,N'-dimethyl-N,N'-dioctylhexylethoxy malonamide (DMDOHEMA), and octanol. While the primary utility of phase modifiers is the increased metal loading, they can have significant effects on the metal distribution ratios, which are well described by the energetics of the extraction process itself. However, the mechanisms by which phase modifiers impact distribution ratios are not generally understood. This work considers the ability of phase modifiers to affect Ln distribution ratios by using phase modifiers with two different functional groups (–Cl and –C≡N) and an octyl alkyl chain in a TODGA and n-dodecane system. Determining the effect of chlorooctane and octane nitrile is important for understanding how phase modifier functional groups and their hydrogen bonding interactions affect Ln extraction. Through combining distribution ratio measurements with organic phase spectroscopic investigations, the impact of chlorooctane and octane nitrile on Ln extraction and their inner-sphere complexes is reported. The addition of either chlorooctane or octane nitrile to TODGA in n-dodecane decreases Ln extraction while maintaining the same inner-sphere Ln complex. The lack of change in inner-sphere Ln-TODGA coordination upon incorporation of phase modifiers and the significant impact of these phase modifiers on distribution ratios suggest the importance of a supramolecular structure. Understanding the role of chlorooctane and octane nitrile on the organic phase structure at longer length scales has been identified as an avenue for future investigations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Machine learning-based interatomic potential development and phase transition analysis of ferroelectric hafnium dioxide

The ferroelectric phase (𝑃⁢𝑐⁢𝑎⁢2 1 , which is in orthorhombic symmetry) of hafnium dioxide (HfO 2 ) has gained much attention due to its potential applications in nanoelectronics and advanced memory devices. However, its complex phase behavior under external stimuli, such as pressure and temperature, remains a subject of intense investigation. This study focuses on developing a machine learning-based interatomic potential (MLIP) that is trained with data from density-functional theory (DFT) calculations to simulate phase transitions and mechanical properties of HfO 2 . The developed MLIP predicts lattice parameters, equations of state, bulk and shear moduli, and elastic constants that closely align with DFT predictions for several phases and at various pressures. Once validated, the MLIP is used to investigate the phase transitions of ferroelectric HfO 2 (𝑃⁢𝑐⁢𝑎⁢2 1 ) under both isobaric and constant stress conditions at elevated temperatures ranging from 200 to 2500 K. We used several complementary methods, including local symmetry identification, radial distribution function, and x-ray diffraction characterization, to identify interesting phase transitions among several competitive hafnia phases predicted from our simulations. The suggested methods uniformly reveal that under pure deviatoric condition, the system favors a transition from the orthorhombic 𝑃⁢𝑐⁢𝑎⁢2 1 phase to a tetragonal (𝑃⁢4 2 /𝑛⁢𝑚⁢𝑐) phase, whereas a zero stress condition drives the system from the 𝑃⁢𝑐⁢𝑎⁢2 1 phase to another orthorhombic (𝑃⁢𝑏⁢𝑐⁢𝑛) phase. These findings provide crucial insights into stress and temperature-induced phase behavior of hafnia, guiding future experimental and theoretical studies for optimizing hafnia-based ferroelectric devices.

Ferroelectric HfO2↗
DOE OSTI2026

Bypassing the yellow phase for extremely stable formamidinium lead iodide perovskite solar cells

INTRODUCTION Formamidinium lead iodide (FAPI) emerged as an ideal material for single-junction perovskite solar cells owing to its near optimal bandgap of 1.45 to 1.5 eV and outstanding thermal stability. However, the photoactive cubic α-phase (3C-FAPI) of FAPI is structurally unstable and undergoes a reconstructive phase transition to the nonperovskite yellow hexagonal δ-phase (2H-FAPI) at ambient temperature. The phase reconstruction from 3C-FAPI to 2H-FAPI could be prevented by alloying methylammonium (MA) or Cs or both at the A-site and Br at the halide site, but this limits long-term durability owing to phase segregation or materials instability. Addressing these challenges requires a rational design strategy to stabilize 3C-FAPI by restricting lattice reconstruction without compromising thermal stability. RATIONALE Two main strategies have emerged to improve the phase stability and film quality of FAPI. Here, the first is a lattice-templating approach, which enables the slow formation of perovskite but it eventually degrades through the formation of yellow phases. The second approach, which has been widely explored, involves additive engineering, using alkyl ammonium halide or mostly chloride-based additives, which provide better control over the crystallization route. However, the FAPI films fabricated using these additives are often alloyed and compromise long-term stability. Moreover, the exact role of Cl has been unclear and speculative, specifically when Cl-based additives are used. Even after using a high additive concentration, the incorporation of Cl in perovskite lattice is rare. RESULTS Guided by synergistic modeling and experimental studies, we developed a coadditive strategy using 15 mol % FACl and 0.5 mol % BA 2 PbI 4 perovskites in combination (where BA is butylammonium) to enable a highly oriented (100) Cl-doped FAPI film with exceptional durability. Synchrotron-based in situ wide-angle x-ray scattering revealed a favorable transition for the coadditive-treated FAPI (FAPI-CA) to the corner-sharing 3C black phase through a progressive transformation through the 2H, 4H, 6H, and 8H phases. Moreover, solid-state 35 Cl nuclear magnetic resonance (NMR) revealed Cl incorporation in the perovskite lattice and, as predicted by modeling, indicated that Cl plays a key role in altering the energetics of both the formation and degradation pathways. The Cl-doped perovskite can completely bypass the expected and energetically favorable degradation pathway via the yellow phase or the 2H-PbI 2 phase. Instead, it undergoes degradation only upon exposure to harsh conditions such as 15-sun illumination and 90°C through the energetically uphill 3R-PbI 2 phase path. A p-i-n device fabricated with FAPI-CA film demonstrated a power conversion efficiency (PCE) of 25.1% with an average of 24.1% (40 devices). The notable film stability translated to other devices and retained 98% of its initial PCE under open-circuit conditions at 85° ± 5°C for 1200 hours. CONCLUSION Our study highlights the decisive role of chloride in regulating both the formation and degradation pathways. This regulation is critical for creating a perovskite film with commercially relevant durability.

Garai, Rabindranath [Rice Univ., Houston, TX (Unit↗
NASA NTRS1996

Microstructure and Phase Stability of Single Crystal NiAl Alloyed with Hf and Zr

Six near stoichiometric, NiAl single-crystal alloys, with 0.05-1.5 at.% of Hf and Zr additions plus Si impurities, were microstructurally analyzed in the as-cast, homogenized, and aged conditions. Hafnium-rich interdendritic regions, containing the Heusler phase (Ni2AlHf), were found in all the as-cast alloys containing Hf. Homogenization heat treatments partially reduced these interdendritic segregated regions. Transmission electron microscopy (TEM) observations of the as-cast and homogenized microstructures revealed the presence of a high density of fine Hf (or Zr) and Si-rich precipitates. These were identified as G-phase, Nil6X6Si7, or as an orthorhombic NiXSi phase, where X is Hf or Zr. Under these conditions the expected Heusler phase (beta') was almost completely absent. The Si responsible for the formation of the G and NiHfSi phases is the result of molten metal reacting with the Si-containing crucible used during the casting process. Varying the cooling rates after homogenization resulted in the refinement or complete suppression of the G and NiHfSi phases. In some of the alloys studied, long-term aging heat treatments resulted in the formation of Heusler precipitates, which were more stable at the aging temperature and coarsened at the expense of the G-phase. In other alloys, long-term aging resulted in the formation of the NiXSi phase. The stability of the Heusler or NiXSi phases can be traced to the reactive element (Hf or Zr) to silicon ratio. If the ratio is high, then the Heusler phase appears stable after long time aging. If the ratio is low, then the NiHfSi phase appears to be the stable phase.

Locci, I. E.↗
NASA NTRS1996

Analysis and Modeling of a Two-Phase Jet Pump of a Flow Boiling Test Facility for Aerospace Applications

Jet pumps are devices capable of pumping fluids to a higher pressure employing a nozzle/diffuser/mixing chamber combination. A primary fluid is usually allowed to pass through a converging-diverging nozzle where it can accelerate to supersonic speeds at the nozzle exit. The relatively high kinetic energy that the primary fluid possesses at the nozzle exit is accompanied by a low pressure region in order to satisfy Bernoulli's equation. The low pressure region downstream of the nozzle exit permits a secondary fluid to be entrained into and mixed with the primary fluid in a mixing chamber located downstream of the nozzle. Several combinations may exist in terms of the nature of the primary and secondary fluids in so far as whether they are single or two-phase fluids. Depending on this, the jet pump may be classified as gas/gas, gas/liquid, liquid/liquid, two-phase/liquid, or similar combinations. The mixing chamber serves to create a homogeneous single-phase or two-phase mixture which enters a diffuser where the high kinetic energy of the fluid is converted into pressure energy. If the fluid mixture entering the diffuser is in the supersonic flow regime, a normal shock wave usually develops inside the diffuser. If the fluid mixture is one that can easily change phase, a condensation shock would normally develop. Because of the overall rise in pressure in the diffuser as well as the additional rise in pressure across the shock layer, condensation becomes more likely. Associated with the pressure rise across the shock is a velocity reduction from the supersonic to the subsonic range. If the two-phase flow entering the diffuser is predominantly gaseous with liquid droplets suspended in it, it will transform into a predominantly liquid flow containing gaseous bubbles (bubbly flow) somewhere in the diffuser. While past researchers have been able to model the two-phase flow jet pump using the one-dimensional assumption with no shock waves and no phase change, there is no research known to the authors apart from that of Anand (1992) which accounted for condensation shocks. One of the objectives of this research effort is to develop a comprehensive model in which the effects of phase slip and inter-phase heat transfer as well as the wall friction and shock waves are accounted for. While this modeling effort is predominantly analytical in nature and is primarily intended to provide a parametric understanding of the jet pump performance under different operating scenarios, another parallel effort employing a commercial CFD code is also implemented. The latter effort is primarily intended to model an axisymmetric counterpart of the problem in question. The viability of using the CFD code to model a two-phase flow jet pump will be assessed by attempting to recreate some of the existing performance data of similar jet pumps. The code will eventually be used to generate the jet pump performance characteristics of several scenarios involving jet pump geometries as well as flow regimes in order to be able to determine an optimum design which would be suitable for a two-phase flow boiling test facility at NASA-Marshall. Because of the extensive nature of the analytical model developed, the following section will only provide very brief highlights of it, while leaving the details to a more complete report submitted to the NASA colleague. This report will also contain some of the simulation results obtained using the CFD code.

Sherif, S. A.↗
NASA NTRS2005

Ka-Band, MEMS Switched Line Phase Shifters Implemented in Finite Ground Coplanar Waveguide

Ka-band MEMS switched line phase shifters implemented in finite ground coplanar waveguide are described in this paper. The phase shifters are constructed of single-pole double-throw (SPDT) switches with additional reference and phase offset transmission line lengths. The one- and two-bit phase shifters are fabricated on high resistivity (HR) silicon with a dielectric constant, Epsilon(sub T) = 11.7 and a substrate thickness, t = 500microns. The switching architectures integrated within the phase shifters consist of MEMS switches that are doubly anchored cantilever beam capacitive switches with additional high inductive sections (MEMS LC device). The SPDT switch is composed of a T-junction with a MEMS LC device at each output port. The one-bit phase shifter described in this paper has an insertion loss (IL) and return loss (RL) of 0.9 dB and 30 dB while the two-bit described has an IL and RL of 1.8 dB and 30 dB respectively. The one-bit phase shifter's designed offset phase is 22.5deg and actual measured phase shift is 21.8deg. The two-bit phase shifter's designed offset phase is 22.5deg, 45deg, and 67.5deg and the actual measured phase shifts are 21.4deg, 44.2deg, and 65.8deg, respectively.

Scardelletti, Maximilian C.↗
NASA NTRS1991

Digital phase-lock loop

An improved digital phase lock loop incorporates several distinctive features that attain better performance at high loop gain and better phase accuracy. These features include: phase feedback to a number-controlled oscillator in addition to phase rate; analytical tracking of phase (both integer and fractional cycles); an amplitude-insensitive phase extractor; a more accurate method for extracting measured phase; a method for changing loop gain during a track without loss of lock; and a method for avoiding loss of sampled data during computation delay, while maintaining excellent tracking performance. The advantages of using phase and phase-rate feedback are demonstrated by comparing performance with that of rate-only feedback. Extraction of phase by the method of modeling provides accurate phase measurements even when the number-controlled oscillator phase is discontinuously updated.

Thomas, Jr., Jess B.↗
NASA NTRS2006

Multichannel Phase and Power Detector

An electronic signal-processing system determines the phases of input signals arriving in multiple channels, relative to the phase of a reference signal with which the input signals are known to be coherent in both phase and frequency. The system also gives an estimate of the power levels of the input signals. A prototype of the system has four input channels that handle signals at a frequency of 9.5 MHz, but the basic principles of design and operation are extensible to other signal frequencies and greater numbers of channels. The prototype system consists mostly of three parts: An analog-to-digital-converter (ADC) board, which coherently digitizes the input signals in synchronism with the reference signal and performs some simple processing; A digital signal processor (DSP) in the form of a field-programmable gate array (FPGA) board, which performs most of the phase- and power-measurement computations on the digital samples generated by the ADC board; and A carrier board, which allows a personal computer to retrieve the phase and power data. The DSP contains four independent phase-only tracking loops, each of which tracks the phase of one of the preprocessed input signals relative to that of the reference signal (see figure). The phase values computed by these loops are averaged over intervals, the length of which is chosen to obtain output from the DSP at a desired rate. In addition, a simple sum of squares is computed for each channel as an estimate of the power of the signal in that channel. The relative phases and the power level estimates computed by the DSP could be used for diverse purposes in different settings. For example, if the input signals come from different elements of a phased-array antenna, the phases could be used as indications of the direction of arrival of a received signal and/or as feedback for electronic or mechanical beam steering. The power levels could be used as feedback for automatic gain control in preprocessing of incoming signals. For another example, the system could be used to measure the phases and power levels of outputs of multiple power amplifiers to enable adjustment of the amplifiers for optimal power combining.

Li, Samuel↗
NASA NTRS2004

Reduction of Phase Ambiguity in an Offset-QPSK Receiver

Proposed modifications of an offset-quadri-phase-shift keying (offset-QPSK) transmitter and receiver would reduce the amount of signal processing that must be done in the receiver to resolve the QPSK fourfold phase ambiguity. Resolution of the phase ambiguity is necessary in order to synchronize, with the received carrier signal, the signal generated by a local oscillator in a carrier-tracking loop in the receiver. Without resolution of the fourfold phase ambiguity, the loop could lock to any of four possible phase points, only one of which has the proper phase relationship with the carrier. The proposal applies, more specifically, to an offset-QPSK receiver that contains a carrier-tracking loop like that shown in Figure 1. This carrier-tracking loop does not resolve or reduce the phase ambiguity. A carrier-tracking loop of a different design optimized for the reception of offset QPSK could reduce the phase ambiguity from fourfold to twofold, but would be more complex. Alternatively, one could resolve the fourfold phase ambiguity by use of differential coding in the transmitter, at a cost of reduced power efficiency. The proposed modifications would make it possible to reduce the fourfold phase ambiguity to twofold, with no loss in power efficiency and only relatively simple additional signal-processing steps in the transmitter and receiver. The twofold phase ambiguity would then be resolved by use of a unique synchronization word, as is commonly done in binary phase-shift keying (BPSK). Although the mathematical and signal-processing principles underlying the modifications are too complex to explain in detail here, the modifications themselves would be relatively simple and are best described with the help of simple block diagrams (see Figure 2). In the transmitter, one would add a unit that would periodically invert bits going into the QPSK modulator; in the receiver, one would add a unit that would effect different but corresponding inversions of bits coming out of the QPSK demodulator. The net effect of all the inversions would be that depending on which lock point the carrier-tracking loop had selected, all the output bits would be either inverted or non-inverted together; hence, the ambiguity would be reduced from fourfold to twofold, as desired.

Berner, Jeff↗
DOE OSTI2025

An experimental study on gas-liquid phase fluid migration in hydrate-bearing sediments during hydrate dissociation

Natural gas hydrate production tests face problems such as severe sand blockage, poor gas-liquid phase separation, and significant land subsidence. This is because of the insufficient understanding of the complex phase transition and gas-liquid multi-phase fluid migration during hydrate dissociation. In hydrate-bearing sediment systems, hydrate phase transition couples with gas-liquid fluid migration. The phase transition causes changes in pore structure, which in turn modifies porous infiltration parameters and fluid flow capacity. Meanwhile, alterations in phase interfaces affect key parameters like surface tension and wettability. Gas-liquid fluid migration influences heat and mass transfer, thus affecting phase equilibrium and dissociation rates. To bridge the gap in describing gas-liquid fluid migration during hydrate dissociation in experiments, this research innovatively integrated an unsteady-state gas displacement by water and a quantitative hydrate dissociation process, independently developed a multi-phase seepage experimental system suitable for hydrate dissociation and determined the relationship between seepage parameters and hydrate saturation under different porosity. The results are as follows: a) Core samples with higher initial porosity show a greater recovery rate of fluid flow capacity. b) The retarding effect of multi-phase fluid has a more significant impact on the migration of the wetting phase fluid (water) than that of the non-wetting phase fluid (methane). c) During hydrate dissociation, the evolution of absolute permeability shows an “S-shaped” pattern, and the evolution of relative permeability shows a “wiring-harness” pattern. In conclusion, the findings can provide a theoretical basis for preventing geological disasters and for geotechnical engineering design during hydrate production.

58 GEOSCIENCES↗
DOE OSTI2024

Intercalation-Induced Topotactic Phase Transformation of Tungsten Disulfide Crystals

Recent research has demonstrated the potential for topological superconductivity, anisotropic Majorana bound states, optical nonlinearity, and enhanced electrochemical activity for transition metal dichalcogenides (TMDs) with a 2M structure. These unique TMD compounds exhibit metastability and, upon heating, undergo a transition to the thermodynamically stable 2H phase. The 2M phase is commonly made at high temperatures using traditional solid-state methods, and this metastability further complicates the growth of large 2M WS 2 crystals. Herein, a novel synthetic method was developed, focusing on a molten salt reaction to synthesize large 2H crystals and then inducing transformation to the 2M phase through intercalation and thermal treatment. The 2H crystals were intercalated via a room-temperature sodium naphthalenide solution, producing a previously unreported Na-intercalated 2H WS 2 phase. Thermal heating was required to facilitate the phase transition to the intercalated 2M crystal structure. This phase transition was studied by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), electron dispersive X-ray spectroscopy (EDS), and Raman spectroscopy, which confirmed the synthesis of the intercalated 2M phase. Upon deintercalation, crystal and powder samples showed superconductivity with a T c of 8.6–8.7 K, similar to previously reported values. The generality of this process was further demonstrated using alkali metal triethyl borohydride to intercalate 2H WS 2 and produced the desired 2M phase. This novel synthetic method has broad implications for discovering metastable phases in other TMD families and layered materials. Furthermore, separation of the intercalation and phase transition also has the potential to allow for large-scale synthesis of this technologically important phase with greater control over each step of the reaction.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-pressure phase transition in 3-D printed nanolamellar high-entropy alloy by imaging and simulation insights

Abstract We report on the high-resolution imaging and molecular dynamics simulations of a 3D-printed eutectic high-entropy alloy (EHEA) Ni 40 Co 20 Fe 10 Cr 10 Al 18 W 2 consisting of nanolamellar BCC and FCC phases. The direct lattice imaging of 3D-printed samples shows the Kurdjumov–Sachs (K–S) orientation relation {111} FCC parallel to {110} BCC planes in the dual-phase lamellae. Unlike traditional iron and steels, this alloy shows an irreversible BCC-to-FCC phase transformation under high pressures. The nanolamellar morphology is maintained after pressure cycling to 30 GPa, and nano-diffraction studies show both layers to be in the FCC phase. The chemical compositions of the dual-phase lamellae after pressure recovery remain unchanged, suggesting a diffusion-less BCC–FCC transformation in this EHEA. The lattice imaging of the pressure-recovered sample does not show any specific orientation relation between the two resulting FCC phases, indicating that many grain orientations are produced during the BCC–FCC phase transformation. Molecular dynamics simulations on phase transformation in a nanolamellar BCC/FCC in K–S orientation show that phase transformation from BCC to FCC is completed under high pressures, and the FCC phase is retained on decompression aided by the stable interfaces. Our work elucidates the irreversible phase transformation under static compression, providing an understanding of the orientation relationships in 3-D printed EHEA under high pressures.

3-D Printing↗
DOE OSTI2025

Pressure induced irreversible phase transformation in an ordered high-entropy alloy

We report on a pressure induced irreversible phase transformation in an ordered eutectic high-entropy alloy (EHEA) AlCoCrFeNi2.1. The suction cast sample was synthesized by arc melting of raw elements resulting in an ordered B2 and FCC phase mixture for eutectic AlCoCrFeNi2.1 alloy. This phase mixture was confirmed by transmission electron microscopy (TEM) where superlattice reflections corresponding to ordered B2 phase were observed while the FCC phase remains disordered. The B2 phase was observed to be enriched in Nickel and Aluminum while the surrounding FCC phase is enriched in Fe, Cr and Co. The suction-cast EHEA sample was studied by X-ray diffraction under high pressure in a diamond anvil cell with platinum pressure marker to 73 GPa at ambient temperature. The B2 to FCC phase transformation is completed by 3 GPa in sharp contrast to BCC to FCC phase transition of 21 GPa in additively manufactured EHEA samples. The X-ray diffraction and TEM studies of pressure recovered samples show presence of only FCC grains without any specific orientation with respect to starting sample. These results are consistent with molecular dynamics simulations that the presence of B2 phase aids in the formation of the B2 to FCC phase transition under high pressures.

36 MATERIALS SCIENCE↗
NASA NTRS2006

An Efficient Approach for the Reliability Analysis of Phased-Mission Systems with Dependent Failures

We consider the reliability analysis of phased-mission systems with common-cause failures in this paper. Phased-mission systems (PMS) are systems supporting missions characterized by multiple, consecutive, and nonoverlapping phases of operation. System components may be subject to different stresses as well as different reliability requirements throughout the course of the mission. As a result, component behavior and relationships may need to be modeled differently from phase to phase when performing a system-level reliability analysis. This consideration poses unique challenges to existing analysis methods. The challenges increase when common-cause failures (CCF) are incorporated in the model. CCF are multiple dependent component failures within a system that are a direct result of a shared root cause, such as sabotage, flood, earthquake, power outage, or human errors. It has been shown by many reliability studies that CCF tend to increase a system's joint failure probabilities and thus contribute significantly to the overall unreliability of systems subject to CCF.We propose a separable phase-modular approach to the reliability analysis of phased-mission systems with dependent common-cause failures as one way to meet the above challenges in an efficient and elegant manner. Our methodology is twofold: first, we separate the effects of CCF from the PMS analysis using the total probability theorem and the common-cause event space developed based on the elementary common-causes; next, we apply an efficient phase-modular approach to analyze the reliability of the PMS. The phase-modular approach employs both combinatorial binary decision diagram and Markov-chain solution methods as appropriate. We provide an example of a reliability analysis of a PMS with both static and dynamic phases as well as CCF as an illustration of our proposed approach. The example is based on information extracted from a Mars orbiter project. The reliability model for this orbiter considers the various phases of Launch, Cruise, Mars Orbit Insertion, and Orbit. Some of the CCF for the orbiter in this mission include environmental effects, such as micrometeoroids, human operator errors, and software errors.

reliability analysis↗
NASA NTRSDate not supplied

Hierarchical Mixture of Experts for Advanced Air Mobility Flight Phase Classification

Advanced Air Mobility (AAM) and Urban Air Mobility (UAM) operations will have numerous vehicles and aircraft flying in the airspace, which poses safety and security concerns. Commercial airlines utilize Air Traffic Management (ATM) and Air Traffic Control (ATC) for real-time monitoring, surveillance, traffic coordination, and rerouting to maintain safe and efficient flight patterns. Transferring ATM and ATC architectures to AAM/UAM will be challenging to implement since AAM/UAM aircraft fly at lower altitudes, have more static and dynamic obstacles, operate in highly dense environments, and have several more aircraft to monitor for a given volume of the national airspace (NAS). Aircraft typically have the following flight phases: takeoff, climb, cruise, descent, and landing. Classifying these flight phases provides insight into ensuring safe operations, providing situational awareness of the NAS, and monitoring flights in emergencies. Automatic flight phase classification will enhance the efficiencies of ATM/ATC-like architectures for AAM/UAM, especially since numerous aircraft will be flying in highly dense urban environments. Typical flight phase classification methods are all-or-nothing, which will not capture or accurately classify the transitions between flight phases. Utilizing hierarchical mixture of experts (HME) provides a flight phase classification solution that includes transitions between the flight phases by assigning weights based on ground-based distributed sensor readings from cameras and radar. Adding the transitions between flight phases increases the fidelity of flight phase classification and provides deeper insight into flight phase classification by leveraging distributed sensing concepts. Simulation results and post-processed flight test results demonstrate the utility of HME for automatic and robust flight phase classification for real-time AAM operations.

distributed sensing↗
DOE OSTI2025

Kinetic analyses for solid-state phase transition of metastable amorphous-AlO x (2.5 < x ≤ 3.0) nanostructures into crystalline alumina polymorphs

Solid-solid phase change materials (SS-PCMs) hold promise for energy storage/dissipation in batteries and energetic materials. Yet, phase change kinetics for SS-PCMs undergoing metastable to semi-stable/stable phase transformations remain relatively ill-studied because trapping metastable phases remain challenging. Recently, we demonstrated the kinetic entrapment and stabilization of a highly disordered and amorphous Al-oxide phase m-AlO x @C (x~2.5-3.0) via laser ablation synthesis in solution (LASiS). We report here, to our knowledge, the first chemical kinetics analysis for S-S phase transition of the m-AlO 3 @C nanocomposites (< 5–8 nm sizes) into semi-stable equilibrium alumina phases (θ/γ-Al 2 O 3 ) via disproportionation reaction, while releasing excess trapped gases. Our results indicate the atomic density of the AlO 3 structures to be ~5–10 times less than that of the final Al 2 O 3 phases, which led to the hypothesis of a volume shrinkage process during their phase transition. Temperature-dependent X-ray diffraction studies reveal the high-temperature phase transition for m-AlO 3 → θ/γ-Al 2 O 3 to follow contracting volume kinetics model, thereby validating our earlier hypothesis. Using the geometric volume contraction model, reaction kinetics analyses from Arrhenius plots reveal the activation energy barrier for the phase transition to be ~270±11 kJ/mol. This makes the activation energy barrier nearly identical to the oxidation of micron-sized Al particles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗