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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Interfacial Area Transport through Vertical-Downward Elbows in Air-water Two-phase Flow

In the study of two-phase flow, models are often developed by the data acquired in a test section with fixed orientation and with no flow restrictions. In view of practical nuclear reactor systems, however, two-phase flow through flow restrictions is important. Flow restrictions and orientations can alter both global and local two-phase flow parameters such as: cause additional pressure loss; alter the flow regime transition; change bubble distributions; affect the bubble velocity and the bubble interaction mechanisms. However, there is insufficient database and predictive models that can account for such effects. In view of above, the objectives of the current study are: (1) to establish database for local and global two-phase flow parameters downstream of a horizontal-to-vertical glass elbow with a non-dimensional radius of curvature, R{sub c}/D, of three, (2) to develop predictive models in the elbow region, and (3) to apply the developed model to the interfacial area transport equation (IATE) and evaluate it in elbow regions. (authors)

42 ENGINEERING↗
DOE OSTI2012

Transition-metal substitution in PbAlBO{sub 4}: Synthesis, structural and spectroscopic studies of manganese containing phases

Highlights: ► Synthesis of mullite-type PbAl{sub 1−x}Mn{sub x}BO{sub 4} by solid state and glycerin methods. ► Fundamental parameter approach describes the X-ray powder diffraction profiles. ► Cell parameters anisotropically change with increasing Mn in the structure. ► Bond valence sums of Pb{sup 2+} linearly correlates eccentricity parameter. ► FTIR spectra confirm the trigonal planar BO{sub 3}. -- Abstract: Mullite-type metal borates PbAlBO{sub 4} with planar BO{sub 3} groups are potential candidates for nonlinear optical properties. We successively substituted aluminum with manganese in the composition PbAl{sub 1−x}Mn{sub x}BO{sub 4}, which would help tuning the crystal chemistry and related physical properties. The end member PbAlBO{sub 4} was synthesized by conventional solid state reaction; the other members of the PbAl{sub 1−x}Mn{sub x}BO{sub 4} series were prepared by glycerin method. The fundamental parameter approach was applied in the Rietveld refinements to describe the X-ray powder diffraction profiles. The cell parameters and interatomic bond distances were studied with respect to the chemical composition x. The MO{sub 6} octahedral distortion linearly increased with the averaged M-O bond distance, which is correlated with the increasing amount of manganese atoms in the structure. The change of the average crystal size and microstrain were explained in terms of Al/Mn ratio in the solid solution. While the empirical bond-valence sums (BVS) of one oxygen atom, bridging the edge-sharing MO{sub 6} octahedron, were found to be under-bonded, the other one was over-bonded. The stereoactivity of the 6s{sup 2} lone electron pair of the Pb{sup 2+} cation was characterized in terms of the absolute value of eccentricity parameter (|Φ{sub i}|). Both bond valence parameter (r{sub 0i}) and BVS of Pb showed a linear correlation with |Φ{sub i}|. Deconvolution of the absorption feature of the infrared powder spectra between 1000 cm{sup −1} and 1400 cm{sup −1} required four fitted bands, which were assigned to B-O stretching vibrations of the trigonal planar BO{sub 3} groups. With increasing Al{sup 3+} dilution in PbAl{sub 1−x}Mn{sub x}BO{sub 4} almost all observed modes shifted toward lower wavenumbers confirming the solid solution. The absorptions caused by the vibrations of the heavy atom Pb were observed in the far-IR region.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Influence of copper substitution on the magnetic and magnetocaloric properties of NiMnInB alloys

The structural, magnetocaloric, and thermomagnetic properties of Ni{sub 50.51}Mn{sub 34.34−x}Cu{sub x}In{sub 14.14}B{sub 1.01} with x = (0, 1.26, and 2.02) have been studied using room-temperature x-ray diffraction, differential scanning calorimetry (DSC), and magnetization measurements. The partial substitution of Cu for Mn was found to shift both the martensitic transition temperature (T{sub M}) and the Curie temperature (T{sub C}) to lower temperatures. The values of the latent heat (L = 9.4 J/g) and corresponding magnetic (ΔS{sub M}) and total entropy (ΔS{sub T}) changes (ΔS{sub M} = 22.60 J/kg K for ΔH = 5 T and ΔS{sub T} = 29.7 J/kg K) have been evaluated using magnetic and DSC measurements, respectively, for the sample with x = 1.26. Large negative values of ΔS{sub M} of −7.27 and −5.98 J/kg K for ΔH = 5 T in the vicinity of T{sub C} were observed for x = 1.26 and 2.02, respectively. It has been found that the application of hydrostatic pressure changes the magnetic ground state of the martensitic phase and increases the temperature stability of the martensitic phase. The roles of the magnetic and structural changes on the transition temperatures are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Thermochemical analysis of Mo-C-H system for synthesis of molybdenum carbides

Earth abundant materials such as molybdenum carbide are gaining importance over expensive, precious metals such as ruthenium and platinum as catalysts for heterogeneous and electrochemical reaction systems. Despite its attributes, molybdenum carbide has not been developed as a commercial catalyst due to a lack of knowledge about the material, its structure and composition. As a result, most synthesis processes yield low surface area molybdenum carbide with contaminants such as excess carbon. In this study reported herein, we carried out DFT assisted thermodynamic modeling to better understand molybdenum carbon phase behavior. Our gas phase equilibrium studies led to better comprehension and refinement of synthesis parameters and conditions. With the help of these thermochemical models, we were able to design a decarburization via hydrogen methanization treatment that yielded 2 nm MoC particles free of contaminants with the highest surface areas reported so far i.e. up to 360 m 2 /g.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Plasma wakefields driven by an incoherent combination of laser pulses: A path towards high-average power laser-plasma accelerators

The wakefield generated in a plasma by incoherently combining a large number of low energy laser pulses (i.e., without constraining the pulse phases) is studied analytically and by means of fully self-consistent particle-in-cell simulations. The structure of the wakefield has been characterized and its amplitude compared with the amplitude of the wake generated by a single (coherent) laser pulse. We show that, in spite of the incoherent nature of the wakefield within the volume occupied by the laser pulses, behind this region, the structure of the wakefield can be regular with an amplitude comparable or equal to that obtained from a single pulse with the same energy. Wake generation requires that the incoherent structures in the laser energy density produced by the combined pulses exist on a time scale short compared to the plasma period. Incoherent combination of multiple laser pulses may enable a technologically simpler path to high-repetition rate, high-average power laser-plasma accelerators, and associated applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Molecular-Scale Structure of Electrode–Electrolyte Interfaces: The Case of Platinum in Aqueous Sulfuric Acid

Knowledge of the molecular composition and electronic structure of electrified solid-liquid interfaces is key to understanding elemental processes in heterogeneous reactions. Using X-ray absorption spectroscopy in the interface-sensitive electron yield mode (EY-XAS), first-principles electronic structure calculations, and multiscale simulations, we determined the chemical composition of the interfacial region of a polycrystalline platinum electrode in contact with aqueous sulfuric acid solution at potentials between the hydrogen and oxygen evolution reactions. We found that between 0.7 and 1.3 V vs Ag/AgCl the electrical double layer (EDL) region comprises adsorbed sulfate ions with hydrated hydronium ions in the next layer. No evidence was found for bisulfate or Pt-O/Pt-OH species, which have very distinctive spectral signatures. In addition to resolving the long-standing issue of the EDL structure, our work establishes interface- and element-sensitive EY-XAS as a powerful spectroscopic tool for studying condensed phase, buried solid-liquid interfaces relevant to various electrochemical processes and devices.

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

Dynamics of the phase formation process upon the low temperature selenization of Cu/In-multilayer stacks

Phase reactions occurring during a low temperature selenization of thin In/Cu-multilayer stacks were investigated by ex-situ x-ray diffraction (XRD) and energy dispersive x-ray spectroscopy (EDS). Therefore, dc-sputtered In/Cu-multilayers onto molybdenum coated soda lime glass were selenized in a high vacuum system at temperatures between 260 and 340 °C with different dwell times and selenium supply. The combination of the results of the phase analysis by XRD and the measurements of the in-depth elemental distribution by EDS allowed a conclusion on the occurring reactions within the layer depth. We found two CuInSe{sub 2} formation processes depending on the applied temperature. Already, at a heater temperature of 260 °C, the CuInSe{sub 2} formation can occur by the reaction of Cu{sub 2−x}Se with In{sub 4}Se{sub 3} and Se. At 340 °C, CuInSe{sub 2} is formed by the reaction of Cu{sub 2−x}Se with InSe and Se. Because both reactions need additional selenium, the selenium supply during the selenization can shift the reaction equilibria either to the metal binaries side or to the CuInSe{sub 2} side. Interestingly, a lower selenium supply shifts the equilibrium to the CuInSe{sub 2} side, because the amount of selenium incorporated into the metallic layer is higher for a lower selenium supply. Most likely, a larger number of grain boundaries are the reason for the stronger selenium incorporation. The results of the phase formation studies were used to design a two stage selenization process to get a defined structure of an indium selenide- and a copper selenide-layer at low temperatures as the origin for a controlled interdiffusion to form the CuInSe{sub 2}-absorber-layer at higher temperatures. The approach delivers a CuInSe{sub 2} absorber which reach total area efficiencies of 11.8% (13.0% active area) in a CuInSe{sub 2}-thin-film solar cell. A finished formation of CuInSe{sub 2} at low temperature was not observed in our experiments but is probably possible for longer dwell times.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural phase transition of BaZrO{sub 3} under high pressure

We studied the phase transition behavior of cubic BaZrO{sub 3} perovskite by in situ high pressure synchrotron X-ray diffraction experiments up to 46.4 GPa at room temperature. The phase transition from cubic phase to tetragonal phase was observed in BaZrO{sub 3} for the first time, which takes place at 17.2 GPa. A bulk modulus 189 (26) GPa for cubic BaZrO{sub 3} is derived from the pressure–volume data. Upon decompression, the high pressure phase transforms into the initial cubic phase. It is suggested that the unstable phonon mode caused by the rotation of oxygen octahedra plays a crucial role in the high pressure phase transition behavior of BaZrO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Nonequilibrium structural phase transitions of the vortex lattice in MgB 2

We have studied nonequilibrium phase transitions in the vortex lattice in superconducting MgB2, where metastable states are observed in connection with an intrinsically continuous rotation transition. Using small- angle neutron scattering and a stop-motion technique, we investigated the manner in which the metastable vortex lattice returns to the equilibrium state under the influence of an ac magnetic field. This shows a qualitative difference between the supercooled case which undergoes a discontinuous transition and the superheated case where the transition to the equilibrium state is continuous. In both cases, the transition may be described by an activated process, with an activation barrier that increases as the metastable state is suppressed, as previously reported for the supercooled vortex lattice [Louden et al., Phys. Rev. B 99, 060502(R) (2019).] Separate preparations of superheated metastable vortex lattices with different domain populations showed an identical transition toward the equilibrium state. This provides further evidence that the vortex lattice metastability, and the kinetics associated with the transition to the equilibrium state, is governed by nucleation and growth of domains and the associated domain boundaries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Adaptive Envelope Detector-Based Phase Fault Detection Method for Power System Grid Distortions

In this study, a phase fault detection algorithm is developed by employing the envelope detector method. The proposed method diagnoses faults among phases and defines fault areas in the incoming signal. The designed algorithm consists of three steps: analytical signal conversion, complex magnitude, and fault detection. Initially, an analytical signal is obtained from the incoming power signal to determine the instantaneous amplitude and phase of the signal. A complex magnitude operation is applied to analytical signals to display changes in amplitude. On the basis of the threshold values specified by the user, the last step identifies the distortion signal in terms of the type of error and size. The proposed method is tested with realistically simulated substation power signal data and real power system data from the Grid Event Signature Library. The obtained results revealed that the proposed method detects distortions accurately.

Alaca, Ozgur↗
DOE OSTI2011

Thermal studies of Se{sub 85-x}Te{sub 15}In{sub x} (x = 3,6,9,12) glasses

Bulk glasses of compositions Se{sub 85-x}Te{sub 15}In{sub x} (x = 3,6,9,12) are prepared by melt quenching technique and Differential scanning calorimetry (DSC) is employed to study the thermal stability, crystallization mechanism as well as specific heat of these glasses. It is found that the addition of indium increases the glass transition temperature. From the heating rate dependence of the glass transition temperature the activation energy of glass transition is determined using Kissinger's equation for non-isothermal crystallization of materials. An attempt has been made to explain the variation in the value of T{sub c}, T{sub p} and {Delta}C{sub p} for the composition Se{sub 73}Te{sub 15}In{sub 12} using rigidity percolation threshold (RPT). From the values of (T{sub c}-T{sub g}) the stable glass system is determined.

36 MATERIALS SCIENCE↗
DOE OSTI2012

CFD modeling of debris melting phenomena during late phase Candu 6 severe accident

The objective of this paper was to study the phase change of the debris formed on the Candu 6 calandria bottom in a postulated accident sequence. The molten pool and crust formation were studied employing the Ansys-Fluent code. The 3D model using Large Eddy Simulation (LES) predicts the conjugate, radiative and convective heat transfer inside and from the corium pool. LES simulations require a very fine grid to capture the crust formation and the free convection flow. This aspect (fine mesh requirement) correlated with the long transient has imposed the use of a slice from the 3D calandria geometry in order not to exceed the computing resources. The preliminary results include heat transfer coefficients, temperature profiles and heat fluxes through calandria wall. From the safety point of view it is very important to maintain a heat flux through the wall below the CHF assuring the integrity of the calandria vessel. This can be achieved by proper cooling of the tank water which contains the vessel. Also, transient duration can be estimated being important in developing guidelines for severe accidents management. The debris physical structure and material properties have large uncertainties in the temperature range of interest. Thus, further sensitivity studies should be carried out in order to better understand the influence of these parameters on this complex phenomenon. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Analysis of NuCycle® Process Waste Streams and Identification of Candidate Waste Forms (CRADA 719) Abstract

The objective of this project is to support collaboration between PNNL and Curio to address technical gaps in the immobilization of waste streams generated by the NuCycle® process, thereby improving the overall viability of the technology. This work will be carried out in two phases, described below. Phase 1 – Waste Management Study The first phase consists of a comprehensive waste management study focused on the waste streams produced during the NuCycle® process, including those containing long lived fission products (LLFPs, e.g., I 129) and transuranic elements (TRUs). This phase involves compiling waste compositions and characteristics based on recently completed NuCycle® testing and modeling efforts. Established waste forms and processing methods will be identified for streams where they are applicable.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Study of the correlation properties of the surface structure of nc-Si/a-Si:H films with different fractions of the crystalline phase

The correlation properties of the structure of nc-Si/a-Si:H films with different volume fractions of the crystalline phase are studied using 2D detrended fluctuation analysis. Study of the surface relief of experimental samples showed that with increasing in volume fraction of the crystalline phase in the nc-Si/a-Si:H films, the size and number of nanoclusters on their surface grow. The size of Si nanocrystals in the a-Si:H matrix (6–8 nm) indicates the formation of coarse nanoclusters due to the self-organization of Si nanocrystals in groups under laser radiation. According to 2D detrended fluctuation analysis data, the number of correlation vectors (harmonic components) in the nc-Si/a-Si:H film structure increased with an increase in the nanocrystal fraction in the films.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Monte Carlo Study of Magnetic and Thermal Phase Transitions of a Diluted Magnetic Nanosystem

Monte Carlo (MC) simulation method with the Metropolis algorithm is used to study the magnetic and thermal phase transition properties of a spherical nanoparticle. The system consists of two concentric spheres of rays R{sub C} and R{sub S}, respectively (R{sub c} < R{sub s}). For r < R{sub c}, the spin is σ = ±3 /2 and ±1 /2, and for R{sub C} < r ≤ R{sub S}, the spin is S = ±7 /2, + 5/2, ±3 /2, and ±1 /2 with antiferromagnetic interface coupling. Between R{sub C} and R{sub S}, the sites are populated with the probability (p). We present a detailed discussion on the magnetic and thermal phase transition characteristics of the system under consideration. Our investigations show that this system can be used as a magnetic nanostructure possessing potential applications in magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Non-orthogonal computational grids for studying dislocation motion in phase field approaches

In this work, new non-orthogonal computational grids are implemented into a phase field model called Phase Field Dislocation Dynamics (PFDD). We demonstrate that the new non-orthogonal grid can accommodate multiple slip planes in either the face centered cubic (FCC) or body centered cubic (BCC) crystallographic systems. Here, we show that they avoid numerical errors induced when modeling glide on inclined slip planes in an orthogonal grid. The Gibbs effect that arises in the orthogonal or rotated orthogonal grids is substantially diminished when a non-orthogonal grid is employed. A few test cases demonstrate the effectiveness of using non-orthogonal grids in solving systems with multiple non-planar slip systems.

36 MATERIALS SCIENCE↗