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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

High Internal Quantum Efficiency Ultraviolet Emission from Phase-Transition Cubic GaN Integrated on Nanopatterned Si(100)

Ultraviolet emission characteristics of cubic (c-) GaN enabled through hexagonal-to-cubic phase transition are reported. Substrate patterning and material growth are shown to affect phase purity and emission characteristics of c-GaN as studied by electron backscatter diffraction, and photo- and cathodoluminescence, respectively. Raman study shows a tensile strain in the c-GaN. Time-resolved photoluminescence reveals c-GaN band edge emission decay time of 11 ps. The ultraviolet emissions from both phases of GaN are linearly polarized in the same direction, which is along the < 11$ \overline{20}\ $ > and < 110 > directions of hexagonal GaN and c-GaN, respectively. Temperature-dependent (5.7 to 280 K) cathodoluminescence studies reveal an internal quantum efficiency of ~29% at room temperature along with intrinsic and extrinsic defect energy levels of ~124 and ~344 meV, respectively, of the phase-transition c-GaN. Using the IQE value and carrier decay lifetime, a radiative lifetime of 38 ps is extracted. Altogether, photonic properties of phase-transition c-GaN and their dependence on substrate patterning and material growth are reported.

42 ENGINEERING↗
NASA NTRS1986

Phase transitions and convection in icy satellites

The effects of solid-solid phase changes on subsolidus convection in the large icy moons of the outer solar system are considered. Phase transitions affect convection via processes that distort the phase change boundary and/or influence buoyancy through thermal expansion. Linear stability analyses are carried out for ice layers with a phase change at the midplane. Two exothermic phase transitions (ice I - ice II, ice VI - ice VIII) and two endothermic transitions (ice I - ice III, ice II - ice V) are considered. For the exothermic cases, the phase change can either impede or enhance whole-layer convection. For the endothermic cases, the phse change always inhibits whole-layer convective overturn and tends to enforce two-layer convection. These results play some constraints on possible models of icy satellite evolution and structure.

Bercovici, D.↗
DOE OSTI2014

Scalar representations in the light of electroweak phase transition and cold dark matter phenomenology

The extension of the standard model's minimal Higgs sector with an inert SU(2){sub L} scalar doublet can provide light dark matter candidate and simultaneously induce a strong phase transition for explaining Baryogenesis. There is however no symmetry reasons to prevent the extension using scalars with higher SU(2){sub L} representations. By making random scans over the models' parameters, we show that in the light of electroweak physics constraints, strong first order electroweak phase transition and the possibility of having sub-TeV cold dark matter candidate the higher representations are rather disfavored compared to the inert doublet. This is done by computing generic perturbativity behavior and impact on electroweak phase transitions of higher representations in comparison with the inert doublet model. Explicit phase transition and cold dark matter phenomenology within the context of the inert triplet and quartet representations are used for detailed illustrations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Vibrational Dynamics and Phase Transitions of Hydrazine to 50 GPa

The high pressure behavior of hydrazine, N 2 H 4 , has been investigated to 50 GPa at room temperature using infrared and Raman spectroscopy to explore pressure induced phase transitions and changes in hydrogen bonding. Three solid–solid phase transitions were detected at 11, 21, and 32 GPa on room temperature compression through dramatic changes in the lattice vibration and N–H stretching regions with increasing pressure in both measurement techniques. The transition to phase IV, which appears at 32 GPa, exhibits increased hydrogen bonding with significant hysteresis, persisting to 9 GPa on decompression. This work presents a detailed analysis of the pressure dependence of mode shifts and calculations of mode Grüneisen parameters as well as a determination of an approximate thermodynamic Grüneisen parameter. We compare these results to the behavior of other small molecular materials such as ammonia and water and explore the evolution of hydrogen bonding in hydrazine toward the symmetrically hydrogen bonded state, which has previously been suggested by theoretical computations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A Reversible Crystallinity-Preserving Phase Transition in Metal–Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications

We report a quenching-triggered reversible single-crystalto- single-crystal (SC-SC) phase transition was discovered in a metal–organic framework (MOF) PCN-526. During the phase transition, the one-dimensional channel of PCN-526 distorts from square to rectangular in shape while maintaining single crystallinity. Although SC-SC transformations have been frequently observed in MOFs, most reports have focused on describing the resulting structural alterations without shedding light on the mechanism for the transformation. Interestingly, modifying the occupancy or species of metal ions in the extraframework sites, which provides mechanistic insight into the causes for the transformation, can forbid this phase transition. Moreover, as a host scaffold, PCN-526 presents a platform for modulation of the photoluminescence properties by encapsulation of luminescent guest molecules. Through judicious choice of these guest molecules, responsive luminescence caused by SC-SC transformations can be detected, introducing a new strategy for the design of novel luminescent MOF materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Size-dependent second-order-like phase transitions in Fe nanocluster melting from low-temperature structural isomerization

Here, in this work, the melting phase transitions of Fe n nanoclusters with 10 ≤ n ≤ 100 atoms are investigated using classical many-body molecular dynamics simulations. For many cluster sizes, surface melting occurs at much lower temperatures than core melting. Surface and core melting points and energetic melting points (temperatures of maximum heat capacity, C v ) are calculated for all cluster sizes. Melting properties are found to be strong functions of cluster structure. Cluster sizes with closed-shell structures always have first-order-like phase transitions. Almost one-third of cluster sizes in the analyzed range exhibit second-order-like phase transitions due to the presence of multiple structural configurations close in energy. 1-shell clusters with one to a few more atoms than a neighboring closed-shell structure have very low surface melting points and very high energetic melting points compared to their closed-shell counterparts. In clusters above 50 atoms with certain core structures, melting of the surface before the core was observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Phase transitions in K-doped MoO{sub 2}

K{sub 0.05}MoO{sub 2} has been studied by x-ray and neutron diffractometry, electrical resistivity, magnetization, heat capacity, and thermal expansion measurements. The compound displays two phase transitions, a first-order phase transition near room temperature and a second-order transition near 54 K. Below the transition at 54 K, a weak magnetic anomaly is observed and the electrical resistivity is well described by a power-law temperature dependence with exponent near 0.5. The phase transitions in the K-doped MoO{sub 2} compound have been discussed for the first time using neutron diffraction, high resolution thermal expansion, and heat capacity measurements as a function of temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The chiral phase transition of QED{sub 3} around the critical number of fermion flavors

At zero temperature and density, the nature of the chiral phase transition in QED{sub 3} with N{sub f} massless fermion flavors is investigated. To this end, in Landau gauge, we numerically solve the coupled Dyson–Schwinger equations for the fermion and boson propagator within the bare and simplified Ball–Chiu vertices separately. It is found that, in the bare vertex approximation, the system undergoes a high-order continuous phase transition from the Nambu–Goldstone phase into the Wigner phase when the number of fermion flavors N{sub f} reaches the critical number N{sub f,c}, while the system exhibits a typical characteristic of second-order phase transition for the simplified Ball–Chiu vertex.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The big bang as a result of the first-order phase transition driven by a change of the scalar curvature in an expanding early Universe: The “hyperinflation” scenario

We suggest that the Big Bang could be a result of the first-order phase transition driven by a change in the scalar curvature of the 4D spacetime in an expanding cold Universe filled with a nonlinear scalar field φ and neutral matter with an equation of state p = νε (where p and ε are the pressure and energy density of the matter, respectively). We consider the Lagrangian of a scalar field with nonlinearity φ{sup 4} in a curved spacetime that, along with the term–ξR|φ|{sup 2} quadratic in φ (where ξ is the interaction constant between the scalar and gravitational fields and R is the scalar curvature), contains the term ξRφ{sub 0}(φ + φ{sup +}) linear in φ, where φ{sub 0} is the vacuum mean of the scalar field amplitude. As a consequence, the condition for the existence of extrema of the scalar-field potential energy is reduced to an equation cubic in φ. Provided that ν > 1/3, the scalar curvature R = [κ(3ν–1)ε–4Λ] (where κ and Λ are Einstein’s gravitational and cosmological constants, respectively) decreases with decreasing ε as the Universe expands, and a first-order phase transition in variable “external field” parameter proportional to R occurs at some critical value R{sub c} < 0. Under certain conditions, the critical radius of the early Universe at the point of the first-order phase transition can reach an arbitrary large value, so that this scenario of unrestricted “inflation” of the Universe may be called “hyperinflation.” After the passage through the phase-transition point, the scalar-field potential energy should be rapidly released, which must lead to strong heating of the Universe, playing the role of the Big Bang.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Magnetic imaging and statistical analysis of the metamagnetic phase transition of FeRh with electron spins in diamond

Magnetic imaging based on nitrogen-vacancy (NV) centers in diamond has emerged as a powerful tool for probing magnetic phenomena in fields ranging from biology to physics. A key strength of NV sensing is its local-probe nature, enabling high-resolution spatial images of magnetic stray fields emanating from a sample. However, this local character can also form a drawback for analyzing the global properties of a system, such as a phase transition temperature. Here, we address this challenge by using statistical analyses of magnetic-field maps to characterize the first-order temperature-driven metamagnetic phase transition from the antiferromagnetic to the ferromagnetic state in FeRh. After imaging the phase transition and identifying the regimes of nucleation, growth, and coalescence of ferromagnetic domains, we statistically characterize the spatial magnetic-field maps to extract the transition temperature and thermal hysteresis width. By analyzing the spatial correlations of the maps in relation to the magnetocrystalline anisotropy and external magnetic field, we detect a reorientation of domain walls across the phase transition. The employed statistical approach can be extended to the study of other magnetic phenomena with NV magnetometry or other sensing techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Pulse laser induced graphite-to-diamond phase transition: the role of quantum electronic stress

First-principles calculations show that the pulse laser induced graphite-to-diamond phase transition is related to the lattice stress generated by the excited carriers, termed as “quantum electronic stress (QES)”. We found that the excited carriers in graphite generate a large anisotropic QES that increases linearly with the increasing carrier density. Using the QES as a guiding parameter, structural relaxation spontaneously transforms the graphite phase into the diamond phase, as the QES is reduced and minimized. Our results suggest that the concept of QES can be generally applied as a good measure to characterize the pulse laser induced phase transitions, in analogy to pressure induced phase transitions.

Wang, ZhengFei↗
DOE OSTI2018

Evidence for topological defects in a photoinduced phase transition

Upon excitation with an intense laser pulse, a symmetry-broken ground state can undergo a non-equilibrium phase transition through pathways different from those in thermal equilibrium. The mechanism underlying these photoinduced phase transitions has long been researched in the study of condensed matter systems, but many details in this ultrafast, non-adiabatic regime still remain to be clarified. To this end, we investigate the light-induced melting of a unidirectional charge density wave (CDW) in LaTe 3 . Using a suite of time-resolved probes, we independently track the amplitude and phase dynamics of the CDW. We find that a fast (approximately 1 picosecond) recovery of the CDW amplitude is followed by a slower re-establishment of phase coherence. This longer timescale is dictated by the presence of topological defects: long-range order is inhibited and is only restored when the defects annihilate. Finally, our results provide a framework for understanding other photoinduced phase transitions by identifying the generation of defects as a governing mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Mechanical properties of aluminosilicate fiber heat-treated from 800 °C to 1400 °C: Effects of phase transition, grain growth and defects

Highlights: • As reaction between amorphous SiO{sub 2} and γ-Al{sub 2}O{sub 3}, phase transition was triggered at ≈1150 °C in AS fiber, thus forming mullite. • Grain size of formed mullite phase was evidently increased as the heat-treated temperature increased from 1200 °C to 1400 °C. • Higher density flaws were formed at higher temperatures, which led to significant degradation of strength of the AS fiber. - Abstract: Thermal stability of oxide fiber is a key property for high temperature structural applications of typical oxide fiber reinforced oxide matrix composites. This work contributes to provide insight into the mechanical properties of a typical aluminosilicate (AS) fiber heat-treated from 800 °C to 1400 °C in air, with the emphasis on the effects of phase transition, grain growth and defect formations. The results showed a phase reaction occurring at 1150 °C, which formed an orthorhombic structured mullite phase. The grain size of the newly formed mullite was observed increased significantly at higher temperatures. Both the phase transition and grain size led to more flaw formations in the microstructure, which influenced significantly the mechanical property of the AS fiber. Specifically, the Young's modulus and tensile strength were both degraded remarkably from ≈145 GPa to ≈110 GPa, and from ≈1.03 GPa to ≈0.52 GPa, respectively, as the heat-treatment temperature increased from 1200 °C to 1400 °C. Finally, the formations of more flaws yielded a higher dispersion of tensile strength of AS fiber, due to the volume dependent flaw distributions, as revealed by the Weibull statistical analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Magnetic and Structural Phase Transitions in Thulium under High Pressures and Low Temperatures

The nature of 4f electrons in many rare earth metals and compounds may be broadly characterized as being either "localized" or "itinerant", and is held responsible for a wide range of physical and chemical properties. The pressure variable has a very dramatic effect on the electronic structure of rare earth metals which in turn drives a sequence of structural and magnetic transitions. We have carried out four-probe electrical resistance measurements on rare earth metal Thulium (Tm) under high pressures to 33 GPa and low temperatures to 10 K to monitor the magnetic ordering transition. These studies are complemented by angle dispersive x-ray diffraction studies to monitor crystallographic phase transitions at high pressures and low temperatures. We observe an abrupt increase in magnetic ordering temperature in Tm at a pressure of 17 GPa on phase transition from ambient pressure hcp-phase to α-Sm phase transition. In addition, measured equation of state (EOS) at low temperatures show anomalously low thermal expansion coefficients likely linked to magnetic transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Raman Fingerprints of Phase Transitions and Ferroic Couplings in van der Waals Multiferroic CuCrP 2 S 6

CuCrP 2 S 6 (CCPS), a type-II multiferroic material, exhibits unique phase transitions involving ferroelectric, antiferroelectric, and antiferromagnetic ordering. Here, in this study, we conduct a comprehensive investigation on the intricate phase transitions and their multiferroic couplings in CCPS across a wide temperature range from 4 to 345 K through Raman spectroscopic measurements down to 5 cm –1 . We first assign the observed Raman modes with the support of theoretical calculations and angle-resolved polarized Raman measurements. We further present clear signatures of phase transitions from the analyses of temperature-dependent Raman spectral parameters. Particularly, two low-frequency soft modes are observed at 36.1 cm –1 and 70.5 cm –1 below 145 K, indicating the antiferroelectric to quasi-antiferroelectric transition. Moreover, phonon mode hardening is observed when the temperature increases from 4 to 65 K, suggesting negative thermal expansion (NTE) and strong magnetoelastic coupling below 65 K. These findings advance the understanding of vdW multiferroic CCPS, paving the way for future design and engineering of multiferroicity in cutting-edge technologies, such as spintronics and quantum devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Decision-tree structures utilizing a phase-transition material

The rich internal physics due to competing electronic phases present in phase-transition materials such as VO2 offer the potential for compact building block design for emerging non-von Neumann computing technologies. Here, based on the relaxation dynamics of an insulator-metal phase transition, we demonstrate experimentally a decision-tree classifier embedded within a single volatile resistive switching device. The tree is constructed by the combination of the voltage pulse and relaxation time and can adapt to different tasks. We use machine learning to analyze the relaxation process, enabling a predictive voltage-relaxation time phase diagram for the electrical resistance state. Classification of the etiology of the chronic cough is presented as a proof-of-principle use case. Further, our approach can be generalized to broader classes of solid-state and solid-liquid interfacial systems that demonstrate a variety of phase relaxations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A unique gravitational wave signal from phase transition during inflation

We study the properties of the gravitational wave (GW) signals produced by first-order phase transitions during the inflation era. We show that the power spectrum of the GW oscillates with its wave number. This signal can be observed directly by future terrestrial and spatial gravitational wave detectors and through the B-mode spectrum in CMB. This oscillatory feature of GW is generic for any approximately instantaneous sources occurring during inflation and is distinct from the GW from phase transitions after the inflation. The details of the GW spectrum contain information about the scale of the phase transition and the later evolution of the universe.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Exploring the Spatial Control of Topotactic Phase Transitions Using Vertically Oriented Epitaxial Interfaces

Engineering oxygen vacancy formation and distribution is a powerful route for controlling the oxygen sublattice evolution that affects diverse functional behavior. The controlling of the oxygen vacancy formation process is particularly important for inducing topotactic phase transitions that occur by transformation of the oxygen sublattice. Here we demonstrate an epitaxial nanocomposite approach for exploring the spatial control of topotactic phase transition from a pristine perovskite phase to an oxygen vacancy-ordered brownmillerite (BM) phase in a model oxide La 0.7 Sr 0.3 MnO 3 (LSMO). Incorporating a minority phase NiO in LSMO films creates ultrahigh density of vertically aligned epitaxial interfaces that strongly influence the oxygen vacancy formation and distribution in LSMO. Combined structural characterizations reveal strong interactions between NiO and LSMO across the epitaxial interfaces leading to a topotactic phase transition in LSMO accompanied by significant morphology evolution in NiO. Using the NiO nominal ratio as a single control parameter, we obtain intermediate topotactic nanostructures with distinct distribution of the transformed LSMO-BM phase, which enables systematic tuning of magnetic and electrical transport properties. The use of self-assembled heterostructure interfaces by the epitaxial nanocomposite platform enables more versatile design of topotactic phase structures and correlated functionalities that are sensitive to oxygen vacancies.

36 MATERIALS SCIENCE↗