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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Effect of Cr{sub 2}O{sub 3} on solubility and thermo-physical properties of BaO-CaO-Al{sub 2}O{sub 3}-B{sub 2}O{sub 3}-SiO{sub 2} g

BaO-CaO-Al{sub 2}O{sub 3}-(10-x)B{sub 2}O{sub 3}-xCr{sub 2}O{sub 3} SiO{sub 2} (BCABS), where 1.0 {<=}x {<=} 3.5, (mol%) glasses were prepared by melt-quench technique. Glass samples were characterized for density, microhardness, thermal expansion coefficient and glass transition temperature. Scanning electron microscopy was used to see the homogeneity/solubility of Cr2O3 in this glass system. UV-VIS absorption measurements were carried out to see the Cr speciation in the glass samples. Density values were found to vary from 3.97 to 3.92 g/cc and microhardness values varied from 283 to 503 kg/mm{sup 2}. Glass transition temperature increased from 635 to 671 deg. C while TEC value found to varies from 8.3 to 11.1x10{sup -6}/ deg. C(30-300) with Cr{sub 2}O{sub 3} content. SEM study revealed phase separation in these glasses. From absorption studies we infer the presence of small amount of Cr (VI) along with Cr(III) oxidation state.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Development of a scanning time of flight microscope and its application to the study of charge transport in phase separated structured organic semiconductors

We describe a tool for studying the two-dimensional spatial variation in electronic properties of organic semiconductors: the scanning time-of-flight microscope (STOFm). The STOFm simultaneously measures the transmittance of polarized light and time-of-flight current transients with a pixel size <30 μm, making it especially valuable for studies of the correlations of structure with charge generation and transport in liquid crystalline organic semiconductors (LC OSCs). Adapting a previously developed photopolymerization technique, we characterize the instrument using patterned samples of a LC OSC bounded by a non-semiconducting polymer matrix.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Pressure-induced phase transition in barium hydride studied with neutron scattering

Barium hydride can undergo a structural phase transition from an orthorhombic phase to a hexagonal phase induced by high temperature or high pressure. This transition causes an immediate increase in the hydrogen diffusion rates by over an order of magnitude, and therefore, understanding the origin and details of such transition is of great interest not only for fundamental reasons but also for improving materials for future applications. In this work, the pressure evolution of the crystal structure was characterized using neutron powder diffraction up to a maximum pressure of 11.3 GPa. The pressure dependence of the unit cell volumes, lattice parameters, atomic sites, and compressibilities were determined for both phases. A structural phase transition occurred over a wide pressure range of P = 1.3 GPa–4.9 GPa. The transition to the higher density hexagonal phase reduced the volume per formula unit of BaD 2 by 13.6%, hence increasing the volumetric storage density. In addition, we investigated the hydrogen diffusion process using high pressure quasi-elastic neutron scattering up to 7.1 GPa. Our results show that the hydrogen mobility increases with pressure in the hexagonal phase. This work sheds light on the structural and dynamical aspects of barium hydride caused by the application of high pressure. Finally, the results may aid in the development of advanced metal hydride systems with increased hydrogen dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Pair Density Wave in the Doped t - J Model with Ring Exchange on a Triangular Lattice

In our previous study, we found a quantum spin liquid phase with a spinon Fermi surface in the two dimensional spin-1/2 Heisenberg model with four-spin ring exchange on a triangular lattice. In this work we dope the spinon Fermi surface phase by studying the $t - J$ model with four-spin ring exchange. We perform density matrix renormalization group calculations on four-leg cylinders of a triangular lattice and find that the dominant pair correlation function is that of a pair density wave; i.e., it is oscillatory while decaying with distance with a power law. The doping dependence of the period is studied. This is the first example where a pair density wave is the dominant pairing in a generic strongly interacting system where the pair density wave cannot be explained as a composite order and no special symmetry is required.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Time-Resolved Infrared Reflectance Studies of the Dehydration-Induced Transformation of Uranyl Nitrate Hexahydrate to the Trihydrate Form

Uranyl nitrate is a key species in the nuclear fuel cycle. However, this species is known to exist in different states of hydration, including the hexahydrate ([UO2(NO3)2(H2O)6] often called UNH), the trihydrate [UO2(NO3)2(H2O)3 or UNT], and in very dry environments the dihydrate form [UO2(NO3)2(H2O)2]. Their relative stabilities depend on both water vapor pressure and temperature. In the 1950s and 1960s the different phases were studied by infrared transmission spectroscopy, but were limited both by instrumental resolution and by the ability to prepare the samples for transmission. We have revisited this problem using time-resolved reflectance spectroscopy, which requires no sample preparation and allows dynamic analysis while the sample is exposed to a flow of N2 gas. Samples of known hydration state were prepared and confirmed via X-ray diffraction patterns of known species. In reflectance mode the hexahydrate UO2(NO3)2(H2O)6 has a distinct uranyl asymmetric stretch band at 949.0 cm-1 that shifts to shorter wavelengths and broadens as the sample desiccates and recrystallizes to the trihydrate, first as a shoulder growing in on the blue edge but ultimately results in a doublet band with reflectance peaks at 966 and 957 cm-1. The data are consistent with transformation from UNH to UNT as UNT has two inequivalent UO22+ sites. The dehydration of UO2(NO3)2(H2O)6 to UO2(NO3)2(H2O)3 is both a structural and morphological change that has the lustrous lime green UO2(NO3)2(H2O)6 crystals changing to the matte greenish yellow of the trihydrate solid. The phase transformation and crystal structures were confirmed by density functional theory calculations and optical microscopy methods, both of which showed a transformation with two distinct sites for the uranyl cation in the trihydrate, with but one in the hexahydrate.

Johnson, Timothy J.↗
DOE OSTI2021

Multi-phase equation of state of ultrapure hafnium to 120 GPa

Hafnium (Hf) is an industrially important material due to its large neutron absorption cross-section and its high corrosion resistance. When subjected to high pressure, Hf phase transforms from its hexagonal close packed α-Hf phase to the hexagonal ω-Hf phase. Upon further compression, ω-Hf phase transforms to the body centered cubic β-Hf phase. In this study, the high pressure phase transformations of Hf are studied by compressing and decompressing a well-characterized Hf sample in diamond anvil cells up to 120 GPa while collecting x-ray diffraction data. The phase transformations of Hf were compared in both a He pressure transmitting medium (PTM) and no PTM over several experiments. It was found that the α-Hf to ω-Hf phase transition occurs at a higher pressure during compression and lower pressure during decompression with a helium (He) PTM compared to using no PTM. Finally, there was little difference in the ω-Hf to β-Hf phase transition pressure between the He PTM and no PTM. The equation of state was fit for all three phases of Hf and under both PTM and no-PTM.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Multicenter, Phase 1, Dose Escalation Study of Hypofractionated Stereotactic Radiation Therapy With Bevacizumab for Recurrent Glioblastoma and Anaplastic Astrocytoma

Purpose: To establish the maximum tolerated dose of a 3-fraction hypofractionated stereotactic reirradiation schedule when delivered with concomitant bevacizumab to treat recurrent high-grade gliomas. Methods and Materials: Patients with recurrent high-grade glioma with Karnofsky performance status ≥60, history of standard fractionated initial radiation, tumor volume at recurrence ≤40 cm{sup 3}, and absence of brainstem or corpus callosum involvement were eligible. A standard 3+3 phase 1 dose escalation trial design was utilized, with dose-limiting toxicities defined as any grade 3 to 5 toxicities possibly, probably, or definitely related to radiation. Bevacizumab was given at a dose of 10 mg/kg every 2 weeks. Hypofractionated stereotactic reirradiation was initiated after 2 bevacizumab doses, delivered in 3 fractions every other day, starting at 9 Gy per fraction. Results: A total of 3 patients were enrolled at the 9 Gy × 3 dose level cohort, 5 in the 10 Gy × 3 cohort, and 7 in the 11 Gy × 3 cohort. One dose-limiting toxicity of grade 3 fatigue and cognitive deterioration possibly related to hypofractionated stereotactic reirradiation was observed in the 11 Gy × 3 cohort, and this dose was declared the maximum tolerated dose in combination with bevacizumab. Although no symptomatic radionecrosis was observed, substantial treatment-related effects and necrosis were observed in resected specimens. The intent-to-treat median overall survival was 13 months. Conclusions: Reirradiation using a 3-fraction schedule with bevacizumab support is feasible and reasonably well tolerated. Dose-escalation was possible up to 11 Gy × 3, which achieves a near doubling in the delivered biological equivalent dose to normal brain, in comparison with our previous 6 Gy × 5 schedule. Promising overall survival warrants further investigation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Studies of a proton phase beam monitor for range verification in proton therapy

A primary subject of the present research in particle therapy is to ensure the precise irradiation of the target volume. The prompt gamma timing (PGT) method provides one possibility for in vivo range verification during the irradiation of patients. Prompt gamma rays with high energies are emitted promptly due to nuclear reactions of protons with tissue. The arrival time of these gammas to the detector reflects the stopping process of the primary protons in tissue and are directly correlated to the range. Due to the time resolution of the detector and the proton bunch time spread, as well as drifts of the bunch phase with respect to the accelerator frequency, timing spectra are smeared out and compromise the accuracy of range information intended for future clinical applications. Nevertheless, counteracting this limitation and recovering range information from the PGT measured spectra, corrections using a phase beam monitor can be performed. A first prototype of phase beam monitor was tested at GSI Darmstadt, where measurements of the energy profile of the ion bunches were performed. At the ELBE accelerator Helmholtz-Zentrum Dresden-Rossendorf (HZDR), set up to provide bremsstrahlung photons in very short pulses, a constant fraction algorithm for the incoming digital signals was evaluated, which is used for optimizing the time resolution. Studies of scattering experiments with different thin targets and detector positions are accomplished at Oncoray Dresden, where a clinical proton beam is available. These experiments allow a basic characterization of the proton bunch structure and the detection yield. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Thermal effect on prebunched two-beam free electron laser

A numerical simulation in one-dimension is conducted to study the two-beam free electron laser. The fundamental resonance of the fast electron beam coincides with the fifth harmonic of the slow electron beam in order to generate extreme ultraviolet radiation. Thermal effect in the form of the longitudinal velocity spread is included in the analysis. In order to reduce the length of the wiggler, prebunched slow electron beam is considered. The evaluation of the radiation power, bunching parameter, distribution function of energy, and the distribution function of the pondermotive phase is studied. Sensitivity of the power of the fifth harmonic to the jitter in the energy difference between the two beams is also studied. A phase space is presented that shows the trapped electrons at the saturation point.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

High voltage testing for the Majorana Demonstrator

The Majorana Collaboration is constructing theMajorana Demonstrator, an ultra-low background, 44-kg modular high-purity Ge (HPGe) detector array to search for neutrinoless double-beta decay in 76Ge. The phenomenon of surface micro-discharge induced by high-voltage has been studied in the context of theMajorana Demonstrator. This effect can damage the front-end electronics or mimic detector signals. To ensure the correct performance, every high-voltage cable and feedthrough must be capable of supplying HPGe detector operating voltages as high as 5 kV without exhibiting discharge. R&D measurements were carried out to understand the testing system and determine the optimum design configuration of the high-voltage path, including different improvements of the cable layout and feedthrough flange model selection. Every cable and feedthrough to be used at the Majorana Demonstrator was characterized and the micro-discharge effects during theMajorana Demonstrator commissioning phase were studied. A stable configuration has been achieved, and the cables and connectors can supply HPGe detector operating voltages without exhibiting discharge.

high-voltage↗
DOE OSTI2016

Effects of 90 deg. vertical elbows on two-phase flow parameters

This study investigates two-phase flow from vertical-upward to horizontal and horizontal to vertical-downward direction through 90 deg. vertical elbows. Specifically, effects of 90 deg. vertical elbows on two-phase pressure drop, development of bubble distribution, and one-dimensional transport of bubble velocity are studied. Pressure measurements are obtained along the test section over a wide range of flow conditions. The two-phase pressure drops across the elbows are modeled using the modified Lockhart-Martinelli correlation which accounts for the minor loss effect. It is demonstrated that the modified Lockhart-Martinelli correlation can predict the pressure loss across elbows with different orientations and angles by varying the minor loss coefficient. A database is established by measuring two-phase flow parameters across 90 deg. vertical elbows using a four-sensor conductivity probe. It is found that immediately downstream of the 90 deg. vertical-upward elbow, the bubbles have a bimodal distribution along the horizontal radius of the pipe cross-section causing a dual-peak in the profiles of local void fraction and interfacial area concentration. As the flow develops, the bimodal bubble distribution dissipates and develops to a single-peaked bubble distribution near the top of the pipe. Immediately downstream of the 90 deg. vertical-downward elbow, a bimodal bubble distribution is also observed near the inner curvature of the elbow. As the flow develops, the bimodal bubble distribution migrates to the pipe center and finally develops to a characteristic center-peaked bubble distribution. For the area averaged void-weighted bubble velocity, it varies significantly in the elbow regions due to the changes in local velocity profile and bubble distribution caused by the elbow effects. (authors)

42 ENGINEERING↗
DOE OSTI2017

Phase diagram of the triangular-lattice Potts antiferromagnet

Here, we study the phase diagram of the triangular-lattice Q-state Potts model in the real $(Q, v)$ -plane, where $v={\rm e}^J-1$ is the temperature variable. Our first goal is to provide an obviously missing feature of this diagram: the position of the antiferromagnetic critical curve. This curve turns out to possess a bifurcation point with two branches emerging from it, entailing important consequences for the global phase diagram. We have obtained accurate numerical estimates for the position of this curve by combining the transfer-matrix approach for strip graphs with toroidal boundary conditions and the recent method of critical polynomials. The second goal of this work is to study the corresponding $A_{p-1}$ RSOS model on the torus, for integer $p=4, 5, \ldots, 8$ . We clarify its relation to the corresponding Potts model, in particular concerning the role of boundary conditions. For certain values of p, we identify several new critical points and regimes for the RSOS model and we initiate the study of the flows between the corresponding field theories.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Infrared spectroscopy study of the nodal-line semimetal candidate ZrSiTe under pressure: Hints for pressure-induced phase transitions

We studied the effect of external pressure on the optical response of the nodal-line semimetal candidate ZrSiTe by reflectivity measurements. At pressures of a few GPa, the reflectivity, optical conductivity, and loss function are strongly affected in the whole measured frequency range (200–16 500 cm –1 ), indicating drastic changes in the electronic band structure. The pressure-induced shift of the electronic bands affects both the intraband and interband transitions. Here, we find anomalies in the pressure dependence of several optical parameters at the pressures P c1 ≈ 4.1GPa and P c2 ≈ 6.5GPa, suggesting the occurrence of two phase transitions of either structural or electronic type.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Epitaxial stabilization and phase instability of VO 2 polymorphs

The VO 2 polymorphs, i.e., VO 2 (A), VO 2 (B), VO 2 (M1) and VO 2 (R), have a wide spectrum of functionalities useful for many potential applications in information and energy technologies. However, synthesis of phase pure materials, especially in thin film forms, has been a challenging task due to the fact that the VO 2 polymorphs are closely related to each other in a thermodynamic framework. Here, we report epitaxial stabilization of the VO 2 polymorphs to synthesize high quality single crystalline thin films and study the phase stability of these metastable materials. We selectively deposit all the phases on various perovskite substrates with different crystallographic orientations. By investigating the phase instability, phonon modes and transport behaviours, not only do we find distinctively contrasting physical properties of the VO 2 polymorphs, but that the polymorphs can be on the verge of phase transitions when heated as low as ~400 °C. In conclusion, our successful epitaxy of both VO 2 (A) and VO 2 (B) phases, which are rarely studied due to the lack of phase pure materials, will open the door to the fundamental studies of VO 2 polymorphs for potential applications in advanced electronic and energy devices.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Experimental and theoretical high pressure study of calcium hydroxyaluminate phases

Five calcium hydroxyaluminate phases have been investigated by synchrotron powder diffraction at high-pressure: two hydrogarnets, kuzelite, stratlingite and ettringite. The obtained bulk modulus, K{sub 0}, for kuzelite, stratlingite and ettringite were 23(1), 27(1) and 30(3) GPa, respectively. Kuzelite and stratlingite underwent transformations above 1 GPa likely releasing interlayer water. Kuzelite becoming markedly amorphous and stratlingite remained crystalline, K{sub 0} = 58(6) GPa in the 1.5–5.5 GPa pressure range. The structural behavior for hydrogarnet samples is prone to the use of pressure transmitting media. K{sub 0} for Ca{sub 3}Al{sub 2}(OH){sub 12} was 81(2) and 76(2) GPa for silicone oil and alcohol mixture, respectively. A similar study for Ca{sub 3}Al{sub 1.7}Fe{sub 0.3}(OH){sub 12} yielded 73(1) and 58(1) GPa for silicone oil and alcohol mixture, respectively. Atomistic calculations using periodic Density Functional Theory showed that the softening in iron-doped katoite, when compared to stoichiometric katoite, can be assigned primarily to greater compressibility of Ca−O dodecahedra, which overcompensates strengthening of hydrogen bonding between Al/Fe hydroxide groups.

36 MATERIALS SCIENCE↗
DOE OSTI2019

UV/Near-IR Aerosol Absorption Monitor

In this DOE SBIR Phase I study, we have designed and constructed two prototypes demonstrating proof of concept for a new aerosol measurement instrument: a UV/near-IR aerosol absorption monitor. One prototype operates at 360nm and the other at 1064nm. From the laboratory testing and evaluation, we obtained the following technical specifications for the two prototypes: (A) Photoacoustic measurements of aerosol light absorption at 360nm and 1064 nm; (B) Detection limit of 1.0 Mm-1 in 10s-averaging and 0.36 Mm-1 in 100s at 1064nm; (C) Detection limit of 9 Mm-1 in 10s at 360nm; (D) Time response of 4.3 ± 0.6 s, using the 90% criteria; (E) Linear dynamic range from 0.36 Mm to 250 Mm-1 at 1064nm; (F) Sample flow rate of 0.5-2.0 liter per minute; (G) Continuous measurement at 1s sampling rate; (H) An aerosol-based calibration approach; (I) Dimension of 56cm×43cm×25cm and 25kg for the near-IR prototype; while 66cm×43cm×38cm and 30kg for the UV prototype. In this Phase I study, we changed the modulation approach applied to the UV prototype to improve its detection sensitivity. Using an optical chopper to chop the laser beam instead of the electronic modulation on its power supply, we were able to increase the effective laser power and thereby improve the sensitivity by a factor of 2.1. However there is a tradeoff of utilizing a chopper. This approach can only produce a single modulation frequency, presenting an obstacle to combining the UV and near-IR aerosol absorption monitors into a single two-wavelength measurement instrument. Given that the near-IR prototype meets all the desired technical specifications from the DoE SBIR program, this instrument will be ready to be commercialized in the Phase II program. On the other hand, in addition to a different modulation scheme from the near-IR model, the UV aerosol absorption monitor needs some improvements to achieve the desired technical objective in measurement sensitivity. Thus the future Phase II program would primarily focus on improving the UV model and developing both the UV and near-IR aerosol absorption monitors into standalone commercial products.

54 ENVIRONMENTAL SCIENCES↗