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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

The Structure and Properties of Microcrystalline and Submicrocrystalline Titanium Alloy VT1-0 in the Area of the Electron Beam Welding Seam

An investigation of the welding seam structure of micro- and submicrocrystalline specimens of VT1-0 alloy is reported. Special features are revealed in the formation of the heat-affected zone in the alloy as a result of electron-beam action due to its structural state. Particular attention is given to the role of α→β-transformations characterizing titanium alloys subjected to thermal impacts. It is found that the structural features of all welding-joint zones, considering the phase transformations, determine the character of hardness value distribution and the respective strength properties of the weld joints. A comparison is given between the structure formation in microcrystalline alloys and in welding seams formed by laser-beam welding. The welding of submicrocrystalline titanium is also compared to another high-energy impact – resistance welding.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Magnetic Properties of Co-doped Bismuth Oxide (δ-Bi{sub 2}O{sub 3}) at Low Temperature

The (Bi{sub 2}O{sub 3}){sub 1−x−y}(Gd{sub 2}O{sub 3}){sub x}(Lu{sub 2}O{sub 3}){sub y} material compounds were prepared by using the solid-state reaction technique under normal air conditions. The heat treatments of the ternary samples were performed firstly at 800 °C for 48 h and then at 750 °C for 100 h. The structural, morphological, and magnetic properties of the materials were characterized by X-ray powder diffraction (XRD), scanning electron microscope, and a Quantum Design PPMS-9T system, respectively. From the XRD results, it was found that the phases of all of the samples consisted of the fluorite-type face-centered cubic δ-Bi{sub 2}O{sub 3} phase. It was observed that the microstructure of the samples is uniformly distributed on the samples’ surface. The temperature dependence of magnetization (M–T) measurements showed that the magnetization rose sharply at the critical temperature. The calculated critical temperature values vary from 22.19 to 56.61 K for the samples. All of the samples displayed the paramagnetic behavior. The paramagnetic behavior started from 300 K to very low temperature which varied from 22.19 to 56.61 K. The coercive rise on the magnetization below 22.19 K or 56.61 K with decreasing temperature causes a phase transformation in the δ-Bi{sub 2}O{sub 3} system. This sudden increment was considered as a ferromagnetic or ferrimagnetic phase transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Nanostructured Ni—Cd powders

Nanostructured powders of the Ni—Cd system containing 0–50 mol.% Cd obtained by co-reduction of metal salts from aqueous solutions by hydrazine were studied by X-ray diffraction, optical emission spectroscopy and electron microscopy. The reduction leads to formation of polycrystalline particles of 100–350 nm size, consisting of 10–20 nm crystallites. Phase composition of the powders is substantially different from that predicted by equilibrium on the phase diagram. Instead of a two-phase area consisting of Ni—NiCd intermetallide, other phase states are observed. If the system contains up to 6% Cd, the XRD data indicates the presence of a single-phase solid solution with a face centred cubic (fcc)-structure. The increase in the Cd content to ~40% is accompanied by formation of the NiCd{sub 5} intermetallide phase, along with a solid solution. In the 40–50% Cd content range, the main phases are NiCd{sub 5}, as well as a fcc-phase containing up to 18% Cd and characterized by a strong broadening of the diffraction maxima caused by the presence of 2–3 nm crystallites. Furthermore, the system of such composition contains a previously unknown non-stoichiometric phase based on Ni{sub 3}Cd, having a similar to Cu{sub 3}Au structure. The results serve to clarify compositions of reduction products and the character of the structural-phase transformations of the intermediate hydroxides and metal products during the reduction process. Based on the obtained data, we proposed a formation scheme for the phases that are unconventional for the studied composition region of the Ni-Cd system. It has been concluded that the main factors determining formation of the reduction products are particle nanoscale dimensionality and occurrence of the reduction process far from equilibrium.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Microstructural evolution of neutron-irradiated T91 and NF616 to ~4.3 dpa at 469 °C

Ferritic-martensitic steels such as T91 and NF616 are candidate materials for several nuclear applications. Here, this study evaluates radiation resistance of T91 and NF616 by examining their microstructural evolutions and hardening after the samples were irradiated in the Advanced Test Reactor to ~4.3 displacements per atom (dpa) at an as-run temperature of 469 °C. In general, this irradiation did not result in significant difference in the radiation-induced microstructures between the two steels. Compared to NF616, T91 had a higher number density of dislocation loops and a lower level of radiation-induced segregation, together with a slightly higher radiation-hardening. Unlike dislocation loops developed in both steels, radiation-induced cavities were only observed in T91 but remained small with sub-10 nm sizes. Lastly, other than the relatively stable M 23 C 6 , a new phase (likely Sigma phase) was observed in T91 and radiation-enhanced MX → Z phase transformation was identified in NF616. Laves phase was not observed in the samples.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Probing Thermal Stability of Li-Ion Battery Ni-Rich Layered Oxide Cathodes by means of Operando Gas Analysis and Neutron Diffraction

Thermal stability is a crucial parameter that must be considered within the overall performance metrics of Ni-rich layered oxide cathodes. While the intrinsic structural stability of the cathode materials under thermal conditions is important, it is also critical to consider their reaction with electrolytes. In this study, operando gas analysis, ex situ neutron diffraction, and differential scanning calorimetry were combined to give a broader picture of the thermal stability of Ni-rich NMC cathodes. Li 1– x Ni 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) composite materials with four different states of charge were investigated with and without the presence of an electrolyte. It has been found that electrolyte can greatly accelerate both the structural and thermal decomposition of the cathode materials. A higher state of charge will also make cathode materials more susceptible to thermal shock. Without an electrolyte, O 2 release inducing a structural change from layered to rock salt was the major observation during thermal runaway. However, all samples retained some levels of layered structure after annealing up to 300 °C without the electrolyte. In comparison, almost all the O3-type layered phase transformed to the rock-salt phase for the cathode materials heated with the electrolyte at the same experimental conditions. Moreover, the amount of CO 2 increased by nearly two orders of magnitude when annealing cathode materials with electrolyte in operando gas analysis experiments. More delithiated NMC811 samples released larger amounts of CO 2 at earlier onset temperatures, resonating well with the differential scanning calorimetry (DSC) results showing that more delithiated samples release more heat during thermal shock.

25 ENERGY STORAGE↗
DOE OSTI2023

Selective sorption of oxygen and nitrous oxide by an electron donor-incorporated flexible coordination network

Incorporating strong electron donor functionality into flexible coordination networks is intriguing for sorption applications due to a built-in mechanism for electron-withdrawing guests. Here we report a 2D flexible porous coordination network, [Ni 2 (4,4'-bipyridine)(VTTF) 2 ]n(1) (where H 2 VTTF = 2,2;-[1,2-bis(4-benzoic acid)-1,2ethanediylidene]bis-1,3-benzodithiole), which exhibits large structural deformation from the as-synthesized or open phase (1α) into the closed phase (1β) after guest removal, as demonstrated by X-ray and electron diffraction. Interestingly, upon exposure to electron-withdrawing species, 1β reversibly undergoes guest accommodation transitions; 1α$\supset$O 2 (90 K) and 1α$\supset$N 2 O (185 K). Moreover, the 1β phase showed exclusive O 2 sorption over other gases (N 2 , Ar, and CO) at 120 K. The phase transformations between the 1α and 1β phases under these gases were carefully investigated by in-situ X-ray diffraction, in-situ spectroscopic studies, and DFT calculations, validating that the unusual sorption was attributed to the combination of flexible frameworks and VTTF (electron-donor) that induces strong interactions with electron-withdrawing species.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-pressure phase transitions and melt structure of Pb O 2 : An analog for silica

In situ x-ray diffraction measurements and inverse Monte Carlo simulations of pair distribution functions were used to study the structural response of PbO 2 under pressure and to characterize the local structure of liquid PbO 2 . Two phase transitions are observed upon room-temperature compression of crystalline PbO 2 up to ~65 GPa. Here, the starting mixture of rutile structured β– PbO 2 and orthorhombic α– PbO 2 undergoes a transition to a ZrO 2 -type orthorhombic phase with space group Pbca at ~21 GPa. Above 42 GPa, the Pbca phase transforms to a cotunnite-type phase with space group Pnam. In this paper, we also report short-range order in liquid PbO 2 , showing ~8–9-fold and 4–5-fold coordination around Pb and O atoms, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

High- T c Superconductivity in FeSe at High Pressure: Dominant Hole Carriers and Enhanced Spin Fluctuations

The importance of electron-hole interband interactions is widely acknowledged for iron-pnictide superconductors with high transition temperatures (T c ). However, high-T c superconductivity without hole carriers has been suggested in FeSe single-layer films and intercalated iron-selenides, raising a fundamental question whether iron pnictides and chalcogenides have different pairing mechanisms. Here, we study the properties of electronic structure in another high-T c phase induced by pressure in bulk FeSe from magneto-transport measurements and first-principles calculations. With increasing pressure, the low-T c superconducting phase transforms into high-T c phase, where we find the normal-state Hall resistivity changes sign from negative to positive, demonstrating dominant hole carriers in striking contrast to other FeSe-derived high-T c systems. Moreover, the Hall coefficient is remarkably enlarged and the magnetoresistance exhibits anomalous scaling behaviours, evidencing strongly enhanced interband spin fluctuations in the high-T c phase. These results in FeSe highlight similarities with high-T c phases of iron pnictides, constituting a step toward a unified understanding of iron-based superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Solute stabilization of nanocrystalline tungsten against abnormal grain growth

Microstructure and phase evolution in magnetron sputtered nanocrystalline tungsten and tungsten alloy thin films are explored through in situ TEM annealing experiments at temperatures up to 1000 °C. Grain growth in unalloyed nanocrystalline tungsten transpires through a discontinuous process at temperatures up to 550 °C, which is coupled to an allotropic phase transformation of metastable β-tungsten with the A-15 cubic structure to stable body centered cubic (BCC) α-tungsten. Complete transformation to the BCC α-phase is accompanied by the convergence to a unimodal nanocrystalline structure at 650 °C, signaling a transition to continuous grain growth. Alloy films synthesized with compositions of W–20 at.% Ti and W–15 at.% Cr exhibit only the BCC α-phase in the as-deposited state, which indicate the addition of solute stabilizes the films against the formation of metastable β-tungsten. Thermal stability of the alloy films is significantly improved over their unalloyed counterpart up to 1000 °C, and grain coarsening occurs solely through a continuous growth process. The contrasting thermal stability between W–Ti and W–Cr is attributed to different grain boundary segregation states, thus demonstrating the critical role of grain boundary chemistry in the design of solute-stabilized nanocrystalline alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Extraction of Pairs of Harmonics from Trigonometric Polynomials by Phase-Amplitude Operators

We propose a method for extracting the sums of two harmonics from trigonometric polynomials T{sub n}(t) by the method of amplitude-phase transformations. Such transformations send polynomials T{sub n}(t) to similar polynomials by two simplest operations: multiplication by a real constant X and shift by a real phase λ, i.e., T{sub n}(t) → X ・ T{sub n}(t − λ). The harmonics are extracted by adding similar polynomials.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Effect of tailored martensitic transformation in a thick weld: Residual stresses mitigation, heterogeneous microstructure, and mechanical properties

The residual stresses, microstructural heterogeneities, and mechanical properties were extensively examined in a 25 mm thick weld consisting of two regions which respectively undergo phase transformation at relatively low (100 °C) temperature (LTT) and high (670 °C) temperature (HTT) during cooling. Due to the LTT martensitic transformation, which features a transformation strain of ~4000 με, large compressive residual stress (−510 MPa) was generated as confirmed by neutron diffraction and contour method. Meanwhile, significant heterogeneities were observed in terms of the chemical composition, yield strength, and microhardness across the interface between the LTT and HTT regions. The dependency of martensitic transformation starting temperature (M{sub s}) on chemical composition is empirically formulated, and it reveals that the dependency of M{sub s} on the Ni and Cr compositions becomes stronger when the temperature is lower than 200 °C. The maximum change of residual stresses (σ{sub x}{sup max}) exponentially decreases as M{sub s} decreases in the manner of σ{sub x}{sup max} = 97.5 exp(M{sub s}/227)-649. The fracture behavior was found highly dependent upon the volume fraction of retained austenite influenced by M{sub s}. While a ductile fracture mode was found in the cellular LTT region containing relatively higher amount of retained austenite (~10%), the interface shows transgranular brittle fracture features and sub-cracking due to the relatively small amount of retained austenite and the predominant martensite constituent.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Nanoscale phase transition in impact indented Mo/Cu thin films

The study reveals a size effect in deformation mechanisms via unique structural transitions in sputter deposited fcc/bcc nanolayers under high strain rate impact nanoindentation as layer thickness is reduced from around 100-200 nm to around 5 nm. Here, the indented 5 nm Cu/5 nm Mo multilayer films characterized via cross-sectional scanning/transmission electron microscopy have revealed a phase transition in the 5 nm thick Mo layers from BCC to a coherent metastable FCC structure and fine deformation twins in the 5 nm Cu layers inside a shear band that is approximately 500 nm long and inclined to the layer interfaces. In contrast, thicker layers, 80 nm Cu/180 nm Mo, show different deformation behavior with uneven layer thickness reduction, shearing of Cu layers, and bending of the columnar Mo grains beneath the indentation without any sign of shear band and localized phase transformation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Evolution of microstructure and strength of a high entropy alloy undergoing the strain-induced martensitic transformation

In a recent work, we have reported outstanding strength and work hardening exhibited by a metastable high entropy alloy (HEA), Fe 42 Mn 28 Co 10 Cr 15 Si 5 (in at. %), undergoing the strain-induced martensitic transformation from metastable gamma austenite (γ) to stable epsilon martensite (ε). However, the alloy exhibited poor ductility, which was attributed to the presence of the brittle sigma (σ) phase in its microstructure. The present work reports the evolution of microstructure, strength, and ductility of a similar HEA, Fe 38.5 Mn 20 Co 20 Cr 15 Si 5 Cu 1.5 (in at. %), designed to suppress the formation of σ phase. A cast and then rolled plate of the alloy was processed into four conditions by annealing for 10 and 30 min at 1100 °C and by friction stir processing (FSP) at tool rotation rates of 150 and 400 revolutions per minute (RPM) to facilitate detailed examinations of variable initial grain structures. Neutron diffraction and electron microscopy were employed to characterize the microstructure and texture evolution. The initial materials had variable grain size but nearly 100% γ structure. Diffusionless strain induced γ→ε phase transformation took place under compression with higher rate initially and slower rate at the later stages of deformation, independent on the initial grain size. The transformation facilitated part of plastic strain accommodation and rapid strain hardening owing to a transformation-induced dynamic Hall-Petch-type barrier effect, increase in dislocation density, and texture. Here, the peak strength of nearly 2 GPa was achieved under compression using the structure created by double pass FSP (150 RPM followed by 150 RPM). Remarkably, the tensile elongation exhibited by the alloy was nearly 20% with fracture surfaces featuring a combination of ductile dimples and cleavage.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Phase transition and luminescence properties of GdTiNbO6:Eu3+ formed by hydrothermal route

Highlights: • Phase transition and luminescence of hydrothermal GdTiNbO{sub 6}:Eu{sup 3+} were investigated. • RE{sup 3+} radius 0.1061 nm was the boundary between the aeschynite and euxenite. • GdTiNbO{sub 6}:0.30Eu{sup 3+} was preferred for UV-B excitation, 0.50Eu{sup 3+} for Vis-light excitation. • The decay lifetime of 615 nm emission (ex = 405 nm) was 570∼571 μs. - Abstract: The dependences of phase transition and luminescence properties upon both Eu{sup 3+} concentration and heating temperature in air were investigated for GdTiNbO{sub 6}:Eu{sup 3+} fine crystals formed hydrothermally at 240 °C as aeschynite-type Eu{sub x}Gd{sub 1-x}TiNbO{sub 6} solid solution. The as-prepared aeschynite solid solution in the concentration range x ≥ 0.70 did not show the phase transformation from an aeschynite- to an euxenite-type structure caused by heating at 1300 °C for 1 h in air. The present study suggested that the phase boundary between the aeschynite- and euxenite-type RETiNbO{sub 6} in the EuTiNbO{sub 6}-GdTiNbO{sub 6} system, where RE was a rare earth, lay in the average RE{sup 3+} ionic radius 0.1061 nm. The intense emissions attributed to the {sup 5}D{sub 0}→{sup 7}F{sub 1} and {sup 5}D{sub 0}→{sup 7}F{sub 2} transitions of Eu{sup 3+} for the as-prepared samples were more improved by heating at 1100–1300°C in air. The material doped with 30 mol% Eu{sup 3+} was preferred for UV-B excitation, in contrast, the material with 50 mol% Eu{sup 3+} was preferred for visible light excitation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Structural and Magnetic Properties of FePt/SiO{sub 2} Core/Shell Nanoparticles

The disorder-order phase transition of FePt/SiO{sub 2} core/shell nanoparticles (NPs) induced by rapid thermal annealing was investigated. The FePt/SiO{sub 2} NPs were synthesized using FePt cores as seeds. For as-prepared FePt/SiO{sub 2} NPs, the average size of the FePt core and the thickness of the SiO{sub 2} shell are about 4.8 and 1.2 nm respectively, and the FePt NPs exhibit a disordered fcc structure. The FePt core NPs show obvious phase transformation from a disordered to an ordered structure after they were annealed at 600 °C for 2 min. Moreover, increasing annealing time can promote effectively the formation of the ordered fct-FePt phase. The relatively large coercivity H{sub c} is obtained for FePt NPs with a thicker SiO{sub 2} shell. The H{sub c} decreases firstly with decreasing temperature from 300 to 100 K and then increases from 100 to 10 K, which is ascribed to the coexistence of magnetically hard fct-FePt and magnetically soft fcc-FePt in the sample, and the incomplete exchange coupling between the hard and soft magnetic phases.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Morphology of phase-separated VO2 films deposited on TiO2-(001) substrate

Highlights: • Phase separation in VO{sub 2} films at room temperature was studied by TEM. • Tetragonal phase with a zig-zag interface was observed in the neighborhood of the VO{sub 2}/TiO{sub 2} boundary. • The peculiar interface could be explained by the crystallographic relationship between the monoclinic and tetragonal phases. - Abstract: The basic morphology of phase-separated VO{sub 2} films, in which the tetragonal (metallic) phase coexists with the monoclinic (insulating) phase, was studied using transmission electron microscopy. While the phase transformation temperature in an unstrained crystal is approximately 340 K, it was observed that at 298 K, elastic strain (caused by lattice mismatch with the TiO{sub 2}-(001) substrate) stabilized the tetragonal phase near the VO{sub 2}/TiO{sub 2} boundary. The observed zig-zag-shaped interface of the tetragonal phase was explained by the crystallographic orientation relationship between the tetragonal and monoclinic phases. The observations provide valuable information for future applications of VO{sub 2} films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Microstructural and Textural Evolutions during β → α/ω Transformation in Biomedical Ti-15Mo Alloy and Its Effects on Mechanical Performance

This study investigated the precipitation behaviors and mechanical performance of Ti-15Mo alloy subjected to different treatment conditions. The microstructures were analyzed via scanning electron microscopy and transmission electron microscopy. The tensile properties and resultant fracture surfaces were investigated to determine the relationship between the phase transformation and mechanical performance. The Ti-15Mo alloy had a notable elongation due to no observable precipitation during solution treatment plus quenching (STQ). A high ultimate tensile strength (UTS) was obtained with a considerable amount of ω precipitates transformed during air cooling after solution treatment (ST). The coarse precipitates and additional precipitation free zones in the Ti-15Mo alloy treated with furnace cooling (FC) after ST induced a decrease in UTS. Furthermore, the absence of a continuous grain boundary α phase resulted in a lower strength in the specimen annealed at 600 °C after hot rolling. The alloy iso-aged after STQ exhibited good tensile properties with a UTS of 920 MPa and an elongation of 15%. The texture and variant relationship of the precipitates was analyzed with x-ray diffraction and electron backscatter diffraction. The common variants of the β matrix influenced the nucleation of precipitates in the Ti-15Mo alloy annealed after hot rolling, and the precipitates showed an obvious {01-10}α main texture. The variant selection of α precipitates at the grain boundary was caused by the two adjacent β grains in the alloy treated by FC after ST.

36 MATERIALS SCIENCE↗