The incipience of flow oscillations in forced- flow subcooled boiling.
Flow oscillation incipience when subcooled liquid undergoes phase change under forced flow conditions in single-tube boiler
FORCED OSCILLATION↗
SEARCH · Engineering Papers
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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Co-infiltration of Nickel and Mixed Conducting Gd 0.1 Ce 0.9 O 2-δ and La 0.6 Sr 0.3 Ni 0.15 Cr 0.85 O 3-δ Phases in Ni-YSZ Anodes for Improved Stability and Performance
Liquid-phase infiltration of nickel (Ni) nanoparticles in Ni/yttria-stabilized-zirconia (YSZ) cermet anodes for solid oxide fuel cells can improve anode performance provided that the infiltrated nanoparticles on YSZ connect to form conducting pathways and the Ni nanoparticles do not coarsen significantly. This study explores liquid phase co-infiltration of Ni with mixed conducting oxides, the latter providing microstructural stability and conductive pathways between Ni nanoparticles. Two mixed conducting oxides have been studied: Gd 0.1 Ce 0.9 O 2-δ (GDC), a predominantly ionic conductor, and La 0.6 Sr 0.3 Ni 0.15 Cr 0.85 O 3-δ (LSNC), a predominantly electronic conductor. Experimental results show that both oxides improve the nickel nanoparticle stability and charge transfer kinetics. However, the electrochemical performance of the Ni-GDC-infiltrated electrode is much better than that of the Ni-LSNC-infiltrated electrode. This is attributed to the citrate–nitrate combustion reaction required to form LSNC, which fills the pores of the anode and inhibits gas diffusion, reducing the performance of the Ni-LSNC-infiltrated electrode.
25 ENERGY STORAGE↗
Mechanism and kinetics of carbide dissolution in near alpha Ti-5.6Al-4.8Sn-2Zr-1Mo-0.35Si-0.7Nd titanium alloy
The present work evaluates the influence of bulk carbon content and aging temperature on the stability of carbide in near alpha Ti-5.6Al-4.8Sn-2Zr-1Mo-0.35Si-0.7Nd titanium alloy. The carbide particles were formed during heat treatment in the {beta} phase field and preserved by water quenching. Subsequent aging treatments at 750-850 Degree-Sign C caused partial dissolution of these precipitates, as a result of the peritectoid reaction between the {beta} phase and carbide. The models based on interface reaction controlled dissolution, via uniform atomic detachment, dislocation mechanism or vacancy flow, yielded experimental predictions comparable to the observed dissolution kinetics. Furnace cooling after heat treatment in the {beta} phase field dissolved carbide particles completely, and the microstructure changed from acicular-like or block {alpha} to equiaxed {alpha} with increase of carbon content. - Highlights: Black-Right-Pointing-Pointer Carbide dissolution occurs at precipitate/matrix interfaces, forming {beta}-depleted zone. Black-Right-Pointing-Pointer Peritectoid reaction is responsible for drastic reduction of carbide volume fraction. Black-Right-Pointing-Pointer Slower dissolution rate is accounted by dislocation, vacancy flow, and curvature. Black-Right-Pointing-Pointer Lamellar changed to equiaxed {alpha} with increasing carbon from {beta} furnace cooling.
36 MATERIALS SCIENCE↗
Phase E in a water-saturated peridotite system at 9.3 GPa
The stability of hydrous phases in a natural upper mantle system has been investigated at 9.3 GPa using a gel of KLB-1 peridotite composition with brucite which contains 14 wt. percent (30 atom. percent) water. No hydrous mineral was found at 950 (+150 -50) degree C. At 800 degree C, an assemblage of phase A, phase E, enstatite, clinohumite, and garnet is obtained. Although there is a significant thermal gradient over the sample, phase E is found to be surrounded by phase A in the lower temperature part. Electron probe analyses show that phase E has 35.5 SiO2, 4.4 Al2O3, 41.1 MgO and 8.5 wt. percent FeO* (Mg value is 90) with an oxide sum of 89.7 wt. percent, and possesses a stoichiometry similar to that proposed by Kanzaki. CaO and TiO2 are both less than 0.1 wt. percent. Coexisting phase A has 0.5 wt. percent CaO but only 0.4 wt. percent Al2O3 concentration. Phase A coexists with only enstatite in the water-saturated MgO-FeO-SiO2 system at 800 degree C and 9.3 GPa as well as the results in the water-saturated MgO-SiO2 system. Therefore it is suggested that the addition of Al2O3 expands the stability field of phase E to lower than 13 - 17 GPa in the water-saturated MgO-SiO2 system.
Kawamoto, Tatsuhiko↗
Application of high stability oscillators to radio science experiments using deep space probes
The microwave telecommunication links between the earth and deep space probes have long been used to conduct radio science experiments which take advantage of the phase coherency and stability of these links. These experiments measure changes in the phase delay of the signals to infer electrical, magnetic and gravitational properties of the solar system environment and beyond through which the spacecraft and radio signals pass. The precision oscillators, from which the phase of the microwave signals are derived, play a key role in the stability of these links and therefore the sensitivity of these measurements. These experiments have become a driving force behind recent and future improvements in the Deep Space Network and spacecraft oscillators and frequency and time distribution systems. Three such experiments which are key to these improvements are briefly discussed and relationship between their sensitivity and the signal phase stability is described. The first is the remote sensing of planetary atmospheres by occultation in which the radio signal passes through the atmosphere and is refracted causing the signal pathlength to change from which the pressure and the temperature of the atmosphere can be derived. The second experiment is determination of the opacity of planetary rings by passage of the radio signals through the rings. The third experiment is the research for very low frequency gravitational radiation. The fractional frequency variation of the signal is comparable to the spatial strain amplitude the system is capable of detecting. A summary of past results and future possibilities for these experiments are presented.
Kursinski, Emil R.↗
Thermodynamic analysis of the stability of planar interfaces between coexisting phases and its application to supercooled water
Two-phase simulations are commonly used to evaluate coexistence conditions, interfacial tensions, and other thermodynamic properties associated with first-order phase transitions. Calculation of these properties is often simplified when the interfaces between the two phases are flat or planar. In this paper, we derive a general thermodynamic criterion for selecting simulation cell dimensions to stabilize planar interfaces in phase-separated fluid-fluid systems with respect to homogeneous, single-phase states. The resulting expression is validated by analyzing the effects of simulation cell dimensions on the formation of planar liquid-vapor interfaces in the Lennard-Jones fluid and in the TIP4P/2005 model of water. We also perform large scale molecular dynamics simulations to study metastable liquid-liquid phase separation in the ST2 and TIP4P/2005 models of water under deeply supercooled conditions. Our simulations confirm the stability of a liquid-liquid interface in ST2, and they demonstrate that the corresponding interface for TIP4P/2005 can be stabilized by judiciously choosing the simulation cell aspect ratio in a manner consistent with the thermodynamic criterion. We posit that this sensitivity to the simulation cell aspect ratio may explain discrepancies between previous studies examining liquid-liquid separation in models of supercooled water.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
High-temperature stability of {alpha}-Ta{sub 4}AlC{sub 3}
Graphical abstract: In this study, stability of {alpha}-Ta{sub 4}AlC{sub 3} is investigated to test a hypothesized thermodynamically driven {alpha}-{beta} phase transformation. It is found that the {alpha} phase is stable up to 1600 {sup o}C, with impurities and point defects most likely increasing the stability of the {alpha}-Ta{sub 4}AlC{sub 3}. Highlights: {yields} Cold-pressed {alpha}-Ta{sub 4}AlC{sub 3} powders are annealed up to 1750 {sup o}C to test first-principles predictions of {alpha}-{beta} phase-stability reversal at 1600 {sup o}C. {yields} The {alpha}-Ta{sub 4}AlC{sub 3} samples are stable up to 1600 {sup o}C, with no indications of any {alpha}-{beta} transformation. {yields} Transmission electron microscopy shows zig-zag stacking sequence characteristic of {alpha}-Ta{sub 4}AlC{sub 3}, as well as tantalum oxide impurities. {yields} The XRD patterns suggest that defects such as vacancies or antisites may increase the stability of {alpha}-Ta{sub 4}AlC{sub 3}. -- Abstract: Cold-pressed {alpha}-Ta4AlC3 powders were annealed up to 1750 {sup o}C to test first-principles predictions of {alpha}-{beta} phase-stability reversal at 1600 {sup o}C. Up to 1600 {sup o}C, the {alpha}-Ta{sub 4}AlC{sub 3} samples were stable with no indications of any {alpha}-{beta} transformation, as shown by the strong characteristic X-ray diffraction peaks of {alpha}-Ta{sub 4}AlC{sub 3} and the zigzag stacking observed by transmission electron microscopy. These results show that, in this experimental situation, high temperature alone is not sufficient to cause the {alpha}-{beta} transformation.
36 MATERIALS SCIENCE↗
Rationalizing the light-induced phase separation of mixed halide organic–inorganic perovskites
Mixed halide hybrid perovskites, CH 3 NH 3 Pb(I 1-x Brx) 3' represent good candidates for lowcost, high efficiency photovoltaic, and light-emitting devices. Their band gaps can be tuned from 1.6 to 2.3 eV, by changing the halide anion identity. Unfortunately, mixed halide perovskites undergo phase separation under illumination. This leads to iodide- and bromide-rich domains along with corresponding changes to the material’s optical/electrical response. Here, using combined spectroscopic measurements and theoretical modeling, we quantitatively rationalize all microscopic processes that occur during phase separation. Our model suggests that the driving force behind phase separation is the bandgap reduction of iodiderich phases. It additionally explains observed non-linear intensity dependencies, as well as self-limited growth of iodide-rich domains. Most importantly, our model reveals that mixed halide perovskites can be stabilized against phase separation by deliberately engineering carrier diffusion lengths and injected carrier densities.
36 MATERIALS SCIENCE↗
Molecular mechanics approach for design and conformational studies of macrocyclic ligands
Computational Chemistry has revolutionized way of viewing molecules at the quantum mechanical scale by allowing simulating various chemical scenarios that are not possible to study in a laboratory. The remarkable applications of computational chemistry have promoted to design and test of the effectiveness of various methods for searching the conformational space of highly flexible molecules. In this context, we conducted a series of optimization and conformational searches on macrocyclic based ligands, 9N3Me5Ox, (1,4,7-tris(5-methyl-8-hydroxyquinoline)-1,4,7-triazacyclononane) and 12N3Me5Ox, (1,5,9-tris(5-methyl-8-hydroxyquinoline)-1,5,9-triazacyclododecane) and studied their selectivity and coordination behavior with some lanthanide metal ions in molecular mechanics and semiempirical methods. The methods include both systematic and random conformational searches for dihedral angles, torsion angles and Cartesian coordinates. Structural studies were carried out by using geometry optimization, coordination scans and electronic properties were evaluated. The results clearly show that chair-boat conformational isomer of 9N3Me5Ox ligand is more stable due to lower eclipsing ethane interaction and form stronger adduct complexes with lanthanide metal ion. This is because of the fact that, in a central unit of 9N3 of the ligand form six endo type bonds out of nine. The rest of bonds have trans conformation. In contrast, for the adduct of 12N3Me5Ox, two C-C bonds have on eclipsed conformation, and others have synclinal and antiperiplanar confirmations. The distortion of the two eclipsed conformations may affect the yields and the stability of the complexes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
High-strength aluminum alloy coatings, deformation layers and methods of making the same
A high-strength aluminum alloy coating. The coating includes aluminum, 9R phase, fine grains, nanotwins, stacking faults, and a solute capable of stabilizing the 9R phase, the fine grains, and the stacking faults. A method of making a high-strength aluminum alloy coating on a substrate. The method includes, depositing the constituents of an aluminum alloy on a substrate such that the deposit forms a high-strength aluminum alloy coating containing 9R phase, fine grains, nanotwins, and stacking faults. A high-strength deformation layer in and on a casting of an aluminum alloy containing 9R phase, fine grains, nanotwins, stacking faults, and a solute capable of stabilizing the PR phase, the fine grains, and the stacking faults. A method of making a high-strength deformation layer in and on a casting of an aluminum alloy by deforming the alloy such that deformation layer contains 9R phase, fine grains, nanotwins, and stacking faults.
Zhang, Xinghang↗
High-strength aluminum alloy coatings, deformation layers and methods of making the same
A high-strength aluminum alloy coating. The coating includes aluminum, 9R phase, fine grains, nanotwins, stacking faults, and a solute capable of stabilizing the 9R phase, the fine grains, and the stacking faults. A method of making a high-strength aluminum alloy coating on a substrate. The method includes, depositing the constituents of an aluminum alloy on a substrate such that the deposit forms a high-strength aluminum alloy coating containing 9R phase, fine grains, nanotwins, and stacking faults. A high-strength deformation layer in and on a casting of an aluminum alloy containing 9R phase, fine grains, nanotwins, stacking faults, and a solute capable of stabilizing the PR phase, the fine grains, and the stacking faults. A method of making a high-strength deformation layer in and on a casting of an aluminum alloy by deforming the alloy such that deformation layer contains 9R phase, fine grains, nanotwins, and stacking faults.
Zhang, Xinghang↗
Nanolayered Features of Collagen-like Peptides
We have been investigating collagen-like model oligopeptides as molecular bases for complex ordered biomimetic materials. The collagen-like molecules incorporate aspects of native collagen sequence and secondary structure. Designed modifications to native primary and secondary structure have been incorporated to control the nanostructure and microstructure of the collagen-like materials produced. We find that the collagen-like molecules form a number of lyotropic rod liquid crystalline phases, which because of their strong temperature dependence in the liquid state can also be viewed as solvent intercalated thermotropic liquid crystals. The liquid crystalline phases formed by the molecules can be captured in the solid state by drying off solvent, resulting in solid nanopatterned (chemically and physically) thermally stable (to greater than 100 C) materials. Designed sequences which stabilize smectic phases have allowed a variety of nanoscale multilayered biopolymeric materials to be developed. Preliminary investigations suggest that chemical patterns running perpendicular to the smectic layer plane can be functionalized and used to localize a variety of organic, inorganic, and organometallic moieties in very simple multilayered nanocomposites. The phase behavior of collagen-like oligopeptide materials is described, emphasizing the correlation between mesophase, molecular orientation, and chemical patterning at the microscale and nanoscale. In many cases, the textures observed for smectic and hexatic phase collagens are remarkably similar to the complex (and not fully understood) helicoids observed in biological collagen-based tissues. Comparisons between biological morphologies and collagen model liquid crystalline (and solidified materials) textures may help us understand the molecular features which impart order and function to the extracellular matrix and to collagen-based mineralized tissues. Initial studies have utilized synthetic collagen-like peptides while future work will also focus on similar sequences generated via genetic engineering methods.
Valluzzi, Regina↗
Stabilized Synthesis of 2D Verbeekite: Monoclinic PdSe 2 Crystals with High Mobility and In-Plane Optical and Electrical Anisotropy
PdSe 2 has a layered structure with an unusual, puckered Cairo pentagonal tiling. Its atomic bond configuration features planar 4-fold-coordinated Pd atoms and intralayer Se–Se bonds that enable polymorphic phases with distinct electronic and quantum properties, especially when atomically thin. PdSe 2 is conventionally orthorhombic, and direct synthesis of its metastable polymorphic phases is still a challenge. Here, we report an ambient-pressure chemical vapor deposition approach to synthesize metastable monoclinic PdSe 2 . Monoclinic PdSe 2 is shown to be synthesized selectively under Se-deficient conditions that induce Se vacancies. These defects are shown by first-principles density functional theory calculations to reduce the free energy of the metastable monoclinic phase, thereby stabilizing it during synthesis. Further, the structure and composition of the monoclinic PdSe 2 crystals are identified and characterized by scanning transmission electron microscopy imaging, convergent beam electron diffraction, and electron energy loss spectroscopy. Polarized Raman spectroscopy of the monoclinic PdSe 2 flakes reveals their strong in-plane optical anisotropy. Electrical transport measurements show that the monoclinic PdSe 2 exhibits n-type charge carrier conduction with electron mobilities up to ~298 cm 2 V –1 s –1 and a strong in-plane electron mobility anisotropy of ~1.9. The defect-mediated growth pathway identified in this work is promising for phase-selective direct synthesis of other 2D transition metal dichalcogenides.
2D material↗
Stabilization of liquid hydrocarbon fuel combustion by using a programmable microwave discharge in a subsonic airflow
Under conditions of a programmable discharge (a surface microwave discharge combined with a dc discharge), plasma-enhanced combustion of alcohol injected into a subsonic (M = 0.3-0.9) airflow in the drop (spray) phase is stabilized. It is shown that the appearance of the discharge, its current-voltage characteristic, the emission spectrum, the total emission intensity, the heat flux, the electron density, the hydroxyl emission intensity, and the time dependences of the discharge current and especially discharge voltage change substantially during the transition from the airflow discharge to stabilized combustion of the liquid hydrocarbon fuel. After combustion stabilization, more than 80% of liquid alcohol can burn out, depending on the input power, and the flame temperature reaches {approx}2000 K.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Thermodynamics of metal-organic frameworks
Although there have been extensive studies over the past decade in the synthesis and application of metal-organic frameworks (MOFs), investigation of their thermodynamic stability and of the energetics of guest–host interactions has been much more limited. This review summarizes recent progress in experimental (calorimetric) determination of the thermodynamics of MOF materials. The enthalpies of MOFs relative to dense phase assemblages suggest only modest metastability, with a general increase of enthalpy with increasing molar volume, which becomes less pronounced at higher porosity. The energy landscape of nanoporous materials (inorganic and hybrid) consists of a pair of parallel patterns within a fairly narrow range of metastability of 5–30 kJ per mole of tetrahedra in zeolites and mesoporous silicas or per mole of metal in MOFs. Thus strong thermodynamic instability does not seem to limit framework formation. There are strong interactions within the chemisorption range for small molecule–MOF interactions with defined chemical binding at the metal centers or other specific locations. Coexistence of surface binding and confinement can lead to much stronger guest–host interactions. - Graphical abstract: Energy landscape of inorganic and hybrid porous materials. - Highlights: • Thermochemical data on various MOF structures were experimentally determined. • MOFs are moderately unstable relative to their dense phase assemblage. • Overall energetic landscape of porous materials was revealed. • Guest–host interactions in MOFs were evaluated directly using calorimetry. • Confinement effect and defined chemical binding lead to strong interactions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Measurement of anode surface temperature in carbon nanomaterial production by arc discharge method
Highlights: • We measured the temperature of anode surface by two-color pyrometry combined with a high speed camera successfully. • Growth temperature of pyrolytic graphite, MWNTs, and nano-graphite particles were in ranges of 2400–2600 K, 2600–2700 K, and 2700–3500 K, respectively. • High temperature contributes to form thermodynamically unstable material. - Abstract: Nano-graphite particles, multi-wall carbon nanotube (MWNT), and pyrolytic graphite were prepared at different positions of the anode surface in an arc discharge. Graphite electrodes were employed for the arc discharge under helium environment at atmospheric pressure. Nano-sized carbon products were characterized by scanning electron microscopy and transmission electron microscopy. During the arc discharge, two-color pyrometry combined with a high-speed camera was conducted to measure the temperature distribution of the anode surface. The growth temperature of pyrolytic graphite, MWNT, and nano-graphite particles were in the ranges of 2400–2600 K, 2600–2700 K, and 2700–3500 K, respectively. The local temperature of anode surface is a critical parameter to determine the products with different morphologies. The formation mechanism of these carbon nanomaterials is suggested based on the local temperature of anode surface and their thermodynamic stability.
36 MATERIALS SCIENCE↗
Frieze charge-stripes in a correlated kagome superconductor
In kagome metals, geometric frustration, electronic correlations and band topology combine to produce a wide range of intriguing phenomena. Among them, CsCr$_3$Sb$_5$ offers an opportunity to investigate unconventional superconductivity in a strongly correlated kagome system, with indications of frustrated magnetism and quantum criticality. Here, we demonstrate a cascade of density-wave transitions with distinct symmetries in bulk single crystals of CsCr$_3$Sb$_5$. Using spectroscopic imaging scanning tunneling microscopy, we uncover a unidirectional density wave that breaks all mirror symmetries -- resembling a chiral density wave -- but that also retains a mirror glide symmetry. We refer to this as a frieze charge stripe order phase, as its symmetry properties correspond to one of the fundamental frieze symmetry groups. A combination of high-resolution imaging, Fourier analysis and theoretical simulations reveal the key role of sublattice degrees of freedom in stabilizing this phase, characterized by internal chiral textures of opposite handedness. These findings suggest that superconductivity in CsCr$_3$Sb$_5$ emerges from this distinct density wave state and provide fresh insight into realizing electronic phases governed by frieze symmetry groups in quantum materials.
Cheng, Siyu [Boston College, Chestnut Hill, MA (Un↗
Phase diagram of the SU(2) Kondo lattice
We examine the SU(2) Kondo Lattice Model, for simple cubic lattices with various magnitudes of the localized spins j and numbers of conduction electrons, nc. For j=1/2, the system undergoes transitions from the paramagnetic to magnetically ordered states. The sequence of low-temperature magnetic states found on increasing n c is symmetric about half-filling and exhibits a preference for commensurate phases over incommensurate phases. On increasing nc from small values, the sequence of magnetic orderings consists of: ferromagnetic phases, planes of ferromagnetically spins which are sequentially twisted by nc-dependent angles, ferromagnetic planes of spins that are aligned antiferromagnetically, antiferromagnetic planes of spins in which the Neel order parameters are twisted through incommensurate angles. Neel order is most stable around half-filling. Magnetic ordered phases are found to be more stable than the Kondo phase for j=1/2, but larger j values may stabilize the Kondo phase. For j=3/2 the sequence of magnetic ordering with increasing nc is the same but, depending on the value of the strength of the Kondo interaction, the Kondo phase may be stabilized in a window 4 ≥ n c ≥ 2. In accordance with Nozieres’s arguments, we find that magnetic ordering is dominant for almost filled and almost empty bands.
36 MATERIALS SCIENCE↗