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At least 487 records · Page 27

Computational thermodynamics aided design of novel ferritic alloys

With the aid of computational thermodynamics, Ni was identified to suppress the liquidus temperature of Fe 2 Zr and four Fe-Cr-Ni-Zr alloys were designed to study the Ni effect on the phase stability of Fe 2 Zr laves_phase. These alloys were fabricated through traditional arc-metling, followed by annealing at 1000 C for 336 hours and 700 C for 1275 hours. The microstructure were examined and characterized by SEM BSE image, EDS compositional mapping and point scan, XRD and TEM analysis. The major results were summarized below: 1)For investigated alloys with 12wt% Cr, 3~6wt% Zr and 3~9 wt%Ni, the phases in equilibrium with the BCC phase are C15_Laves phase, Fe 23 Zr 6 phase. The volume fraction of intermetallic phases increases with Ni and Zr contents. 2)Instead of (Fe,Cr) 2 Zr C14_Laves phase, Ni stabilizes the C15_Laves structure in Fe-Cr-Ni-Zr alloys by substituting Fe and Cr atoms with Ni atoms in the first sublattice. 3)Fe 23 Zr 6 , that is metastable in the Fe-Cr-Zr ternary, is also stabilized by Ni addition. 4)Ni 7 Zr 2 phase was observed in samples with high Ni/Zr ratio. Extensive solubility of Fe was identified in the phase. The microstructural and composition results obtained from this study will be incorportated into the the Fe-Cr-Ni-Zr database. The current samples will be subjected to ion irradiaition to be compared with those results for Fe-Cr-Zr alloys. Additional alloys will be designed to form (Fe,Cr,Ni) 2 Zr nanoprecipitates for further studies.

36 MATERIALS SCIENCE↗

Computational discovery of ultra-strong, stable, and lightweight refractory multi-principal element alloys. Part I: design principles and rapid down-selection

Abstract Refractory metal-based multi-principal element alloys (MPEAs) are compelling materials for high-temperature (1000–2000 K) structural applications. However, only a minuscule fraction of their vast and heterogeneous compositional design space has been explored, leaving many potentially interesting alloys undiscovered. In this two-part work, a large region of the 11-element Al-Cr-Fe-Hf-Mo-Nb-Ta-Ti-V-W-Zr design space is computationally explored to identify refractory MPEAs with simultaneously high yield strength or specific yield strength and body-centered cubic (BCC) solid solution stability. In Part I , two case studies illuminate key factors and considerations in the yield strength versus phase stability tradeoff, provide guidelines for narrowing the expansive design space, and identify many candidates predicted to be stronger than refractory MPEAs reported to date, with BCC phase stability. Our findings indicate that medium entropy ternary alloys can outperform alloys with more elements and highlight the importance of exploring regions away from the equiatomic center of composition space.

36 MATERIALS SCIENCE↗

Phase and frequency stability of Cassegrainian antennas

Phase and frequency stability of Cassegrainian antennas is important in radio astronomy, geodesy, and planetary sciences. This paper presents a rigorous approach, exact definitions, and simple algorithms for computing these characteristics. Such a consistent and rigorous treatment of phase and frequency stability does not appear to exist in the literature.

Cha, A. G.↗

Atomic disorder in Gd 2 Zr 2 O 7 pyrochlore

Gd 2 Zr 2 O 7 pyrochlore with different degrees of cation disorder were synthesized by isothermal annealing at various temperatures (1100–1550 °C), and the related changes in the structure were investigated by ambient and high pressure x-ray diffraction (XRD) measurements. Unit cell parameters increase almost linearly with increasing treatment temperature. The degree of cation order in pyrochlore also increases with the increase of temperature, but saturates at ~60%. The compressibility of the pyrochlore structures decreases when the degree of cation order increases. Lastly, high pressure XRD measurements also indicate that the phase stability of Gd 2 Zr 2 O 7 is not very sensitive to the degree of atomic disorder in the pyrochlore structure.

36 MATERIALS SCIENCE↗

Creep behavior of high-entropy alloys: A critical review

High-entropy alloys (HEAs) have been extensively investigated during the last two decades. While substantial progress has been made in understanding their phase stability, microstructure, and deformation mechanisms at room and cryogenic temperatures, the long-term creep behavior (>100 h) of HEAs at high temperatures (>0.6 T m , where T m is the melting temperature) remains relatively underexplored. This knowledge gap is critical, as many engineering applications, including those for power generation and propulsion, require materials with good creep resistance to maintain structural integrity over extended service lifetimes. This review provides a focused and critical assessment of the current understanding of high-temperature deformation and creep behavior of HEAs, with particular attention paid to face-centered cubic HEAs and body-centered cubic refractory HEAs. The underlying deformation mechanisms governing their creep response and the influence of phase stability at elevated temperatures are examined in detail. Recent studies reveal mechanistic differences between HEAs and conventional dilute alloys that do not always lead to improved creep resistance belying their initial promise. Based on these findings, we discuss the challenges in designing HEAs for high-temperature structural applications and outline future research directions that may lead to creep-resistant HEAs.

Creep↗

Stability of fringe counting interferometers

Two configurations of an automatic bidirectional, fringe-counting corner-cube interferometer are compared. They differ only in the method of quadrature phase introduction. The one using polarization coding has good phase stability at optical path differences as large as 955 mm, the one using adjacent beams has such poor phase stability as to render it useless at path differences greater than 700 mm. A useful well-defined alignment procedure is given for the corner-cube interferometer.

Edgerton, J. W.↗

Site preference, magnetism and lattice vibrations of intermetallics Lu₂Fe 17–x T x (T=Cr, Mn, Ru)

We present an atomistic study on the phase stability, site preference and lattice constants of the rare earth intermetallics Lu₂Fe 17–x T x (T=Cr, Mn, Ru). The calculated preferential occupation site of ternary element T is found to be the 4f site. The order of site preference is given as 4f, 12k, 12j and 6g for Lu₂Fe 17–x T x . The calculated lattice parameters are corresponding to the experimental results. We have calculated the magnetic moments of Lu₂Fe 17–x T x compounds. Results show that the calculated total magnetic moment of Lu₂Fe₁₇ compound is M=37.34 μ B /f.u. In addition, the total and partial phonon densities of states are evaluated first for these complicated structures. - Graphical abstract: The vibrational modes are mostly excited by Fe atoms, Lu contributes to the lower frequencies modes, and the contribution of Ru atoms is the same as Fe atoms. Highlights: • There are no reports on lattice vibrations of Lu₂(Fe, T) 17–x (T=Cr, Mn, Ru) compounds. • The phase stability and site preference are evaluated first for the complex structures of Lu₂(Fe, T) 17–x (T=Cr, Mn, Ru) compounds. • The lattice inversion method to obtain the interatomic pair potential is the unique one.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fully automated dual-frequency three-pulse-echo 2DIR spectrometer accessing spectral range from 800 to 4000 wavenumbers

A novel dual-frequency two-dimensional infrared instrument is designed and built that permits three-pulse heterodyned echo measurements of any cross-peak within a spectral range from 800 to 4000 cm{sup −1} to be performed in a fully automated fashion. The superior sensitivity of the instrument is achieved by a combination of spectral interferometry, phase cycling, and closed-loop phase stabilization accurate to ∼70 as. The anharmonicity of smaller than 10{sup −4} cm{sup −1} was recorded for strong carbonyl stretching modes using 800 laser shot accumulations. The novel design of the phase stabilization scheme permits tuning polarizations of the mid-infrared (m-IR) pulses, thus supporting measurements of the angles between vibrational transition dipoles. The automatic frequency tuning is achieved by implementing beam direction stabilization schemes for each m-IR beam, providing better than 50 μrad beam stability, and novel scheme for setting the phase-matching geometry for the m-IR beams at the sample. The errors in the cross-peak amplitudes associated with imperfect phase matching conditions and alignment are found to be at the level of 20%. The instrument can be used by non-specialists in ultrafast spectroscopy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SU-E-T-410: Fringe Stability and Phase Shift Measurements in a Michelson Interferometer for Optical Calorimetry

Purpose: To identify the variables limiting the resolution of a Michelson interferometer used to measure phase shifts (PS) in water as part of a radiometric calorimeter. Methods: We investigated the output stability of a He-Ne laser and a laser diode. The short and long term stability of the fringe pattern in a Michelson interferometer was tested with different types of lasers, thermal insulation arrangements, damping systems and optical mounts to optimize system performance. PS were induced by electrically heating water in a 1 cm quartz cuvette located in one of the interferometer arms. The PS was calculated from fringe intensity changes and compared to a calculated PS using thermocouple-measured temperature changes in the water. Results: The intensity of the laser diode is more stable, but the gas laser’s profile is more suitable for fringe analysis and has better temporal coherence. The laser requires a warm-up time of 4 hours before its output is stabilized (SNR>95). The fringe’s stability strongly depends on the thermal insulation. When the interferometer is exposed to ambient temperature swings of 0.7 K, it is not possible to stabilize the fringe pattern. Enclosing the system in a 2.5 cm-thick Styrofoam box improves the SNR, but further insulation will be needed to increase the SNR above 50. High frequency noise is significantly reduced by damping the system.Inducing a temperature rise in water, starting at 299 K, the average temperature increase for a 2π PS is 0.29 ± 0.02 K and the proportionality constant is -21.1 ± 0.8 radians/K. This is 5.8% lower than the calculated value using the thermocouple. Conclusion: Interferometric PS measurements of temperature may provide an alternative to thermistors for water calorimetry. The resolution of the current prototype is limited by ambient temperature stability. Calculated and measured thermally-induced PS in water agreed to within 5.8%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Structural and Optical Response of Polymer-Stabilized Blue Phase Liquid Crystal Films to Volatile Organic Compounds

Engineering useful mechanical properties into stimuli-responsive soft materials without compromising their responsiveness is, in many cases, an unresolved challenge. For example, polymer networks formed within blue-phase liquid crystals (BPs) have been shown to form mechanically robust films, but the impact of polymer networks on the response of these soft materials to chemical stimuli has not been explored. In this work, we report on the response of polymer-stabilized BPs (PSBPs) to volatile organic compounds (VOCs, using toluene as a model compound) and compare the response to BPs without polymer stabilization and to polymerized nematic and cholesteric phases. We find that PSBPs generate an optical response to toluene vapor (change in reflection intensity under crossed polars) that is sixfold greater in sensitivity than the polymerized nematic or cholesteric phases and with a limit of detection (140 ± 10 ppm at 25 °C) that is relevant to the measurement of permissible exposure limits for humans. Additionally, when compared to BPs that have not been polymerized, PSBPs respond to a broader range of toluene vapor concentrations (5000 vs <1000 ppm) over a wider temperature interval (25–45 vs 45–53 °C). We place these experimental observations into the context of a simple thermodynamic model to explore how the PSBP response reflects the effect of toluene on competing contributions of double-twisted LC cylinders, disclinations, and polymer network to the free energy that controls the PSBP lattice spacing. Overall, we conclude that the mechanical and thermal stability of PSBPs, when combined with their optical responsiveness to toluene, make this class of self-supporting LCs a promising one as the basis of passive and compact (e.g., wearable) sensors for VOCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-throughput oxidation screening and down-selection of refractory high entropy alloys in the Al-Cr-Mo-Nb-Ta-Ti system

Rapid experimentation and characterization are ever-present needs in the discovery of high entropy alloys. High entropy alloy systems are difficult to survey with systematic composition sweeps using traditional synthesis methods. The number of distinct compositions in even a four-element system is experimentally intractable. Exploration of these, and higher-element systems, necessitates thermodynamic prediction coupled with an automated sample creation method and a rapid screening methodology to effectively down-select alloys with targeted properties. As a result, a high-throughput method for evaluating the oxidation performance of refractory high entropy alloys was developed and tested. The six-element system of aluminum, chromium, molybdenum, niobium, tantalum, and titanium was evaluated for single phase stability and short-duration oxidation resistance. Target compositions were initially determined via thermodynamic predictions of single-phase stability across a wide temperature range. A twenty-five-sample build plate was produced using directed energy deposition additive manufacturing. After fabrication, the twenty-five 1 cm 3 samples were heat treated and characterized for composition and phase identification. The build plate was exposed to a high temperature oxidizing environment at 1000 °C for three hours. After oxidation, the composition, morphology, and chemistry of the oxides formed were characterized. Of the twenty-five samples produced, nine exhibited a favorable oxidation response, from which a single-phase BCC alloy at a composition of Al 13 Cr 7 Mo 19 Nb 18 Ta 26 Ti 17 was identified as the alloy with the most protective oxidation coating with a thin, adherent oxide scale. Finally, the complete experimental down-selection—from machine setup to final alloy identification—required approximately 45 labor hours, demonstrating a rapid validation for alloy discovery.

Additive manufacturing↗

Frequency-Stabilized CO2 Lasers, Phase I

Frequency-stabilized carbon dioxide laser - electronic and mechanical stabilization schemes, control loop techniques, wavelength and mode control, and general laser construction

CARBON DIOXIDE↗

A Review of Metastable Beta Titanium Alloys

In this article, we provide a broad and extensive review of beta titanium alloys. Beta titanium alloys are an important class of alloys that have found use in demanding applications such as aircraft structures and engines, and orthopedic and orthodontic implants. Their high strength, good corrosion resistance, excellent biocompatibility, and ease of fabrication provide significant advantages compared to other high performance alloys. The body-centered cubic (bcc) ß-phase is metastable at temperatures below the beta transus temperature, providing these alloys with a wide range of microstructures and mechanical properties through processing and heat treatment. One attribute important for biomedical applications is the ability to adjust the modulus of elasticity through alloying and altering phase volume fractions. Furthermore, since these alloys are metastable, they experience stress-induced transformations in response to deformation. The attributes of these alloys make them the subject of many recent studies. In addition, researchers are pursuing development of new metastable and near-beta Ti alloys for advanced applications. In this article, we review several important topics of these alloys including phase stability, development history, thermo-mechanical processing and heat treatment, and stress-induced transformations. In addition, we address recent developments in new alloys, phase stability, superelasticity, and additive manufacturing.

beta phase, metastable, titanium, aircraft, biomed↗

An interface stabilized perovskite solar cell with high stabilized efficiency and low voltage loss

Stabilization of the crystal phase of inorganic/organic lead halide perovskites is critical for their high performance optoelectronic devices. However, due to the highly ionic nature of perovskite crystals, even phase stabilized polycrystalline perovskites can undergo undesirable phase transitions when exposed to a destabilizing environment. While various surface passivating agents have been developed to improve the device performance of perovskite solar cells, conventional deposition methods using a protic polar solvent, mainly isopropyl alcohol (IPA), results in a destabilization of the underlying perovskite layer and an undesirable degradation of device properties. We demonstrate the hidden role of IPA in surface treatments and develop a strategy in which the passivating agent is deposited without destabilizing the high quality perovskite underlayer. This strategy maximizes and stabilizes device performance by suppressing the formation of the perovskite δ-phase and amorphous phase during surface treatment, which is observed using conventional methods. Our strategy also effectively passivates surface and grain boundary defects, minimizing non-radiative recombination sites, and preventing carrier quenching at the perovskite interface. This results in an open-circuit-voltage loss of only ~340 mV, a champion device with a power conversion efficiency of 23.4% from a reverse current–voltage scan, a device with a record certified stabilized PCE of 22.6%, and enhanced operational stability. In addition, our perovskite solar cell exhibits an electroluminescence external quantum efficiency up to 8.9%.

14 SOLAR ENERGY↗

Accelerated radiation tolerance testing of Ti-based MAX phases

MAX phases have recently attracted significant attention for potential nuclear applications due to their novel properties such as unique hexagonal-compact nanolayered crystal structure, high-machinability due to lower hardness levels compared to conventional ceramics, and high-chemical inertness. In order for MAX phases to be used in nuclear reactors, two aspects deserve detailed investigations: (i) their phase stability at high-temperatures and (ii) microstructural defect formation and recovery induced by energetic particle irradiation. To date, degradation mechanisms of MAX phases at high-temperatures and following irradiation are largely unexplored fields of research. This work focuses on the evaluation of two Ti-based MAX phases – Ti 2 AlC and Ti 3 SiC 2 – within the context of extreme environments. To accomplish this, a one-of-a-kind comparison between neutron irradiations, performed over a decade of research at the High Flux Isotope Reactor (HFIR), and heavy-ion irradiations, carried out in situ in a Transmission Electron Microscope (TEM) at the MIAMI-2 facility, has been conducted. The results show Ti-based MAX phases are prone to accelerated decomposition under the conditions investigated. This questions the hypothesis that MAX phases exhibit high phase stability, especially when used in future nuclear energy systems where energetic particle irradiation is a dominating degradation mechanism.

36 MATERIALS SCIENCE↗

Electro-optical properties of photochemically stable polymer-stabilized blue-phase material

Polymer-stabilized blue-phase liquid crystal (BPLC) comprising fluorinated compounds with high resistivity and photochemical stability is demonstrated. The Kerr constant, driving voltage, and response time of this BPLC are measured using an in-plane switching liquid crystal cell. At 20 °C, the measured total response time is faster than 0.7 ms and Kerr constant is 2 nm/V{sup 2}. This fluorinated BPLC material is a promising candidate for next-generation photonic and display devices, because it can be used in active matrix addressed devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗