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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Carbon spheres-assisted strategy to prepare mesoporous manganese dioxide for supercapacitor applications

Mesoporous MnO{sub 2} microstructures with large specific surface area have been successfully synthesized by an in-situ redox precipitation method in the presence of colloidal carbon spheres. The samples of them had much higher specific surface area, pore size and pore volume than those obtained via routes without carbon spheres. The morphology, chemical compositions and porous nature of products were fully characterized. Electrochemical measurements showed that these mesoporous MnO{sub 2} could function well when used as positive electrode materials for supercapacitor. Ideal electrochemical capacitive performances and cyclic stability after 2000 galvanostatic charge-discharge cycles could be observed in 1 M neutral Na{sub 2}SO{sub 4} aqueous electrolyte with a working voltage of 1.7 V. - Graphical Abstract: Mesoporous MnO{sub 2} microstructures with large S{sub BET} were successfully synthesized by in-situ redox precipitation method in the presence of colloidal carbon spheres. Electrochemical measurements showed that these mesoporous MnO{sub 2} could be well used as electrode materials for supercapacitor. Highlights: Black-Right-Pointing-Pointer Mesoporous MnO{sub 2} was prepared by in-situ redox method assisted by carbon spheres. Black-Right-Pointing-Pointer S{sub BET}, pore size and volume were higher than MnO{sub 2} obtained without carbon spheres. Black-Right-Pointing-Pointer They could function well when used as electrode materials for supercapacitor. Black-Right-Pointing-Pointer Ideal capacitive behaviors and long cycling life showed after 2000 charge-discharge.

36 MATERIALS SCIENCE↗
DOE OSTI2023

GCR: Class B Code Case

This PowerPoint presentation is for Joint ART Materials/AMMT Program Review, Germantown, MD, on June-5-8, 2023. It will discuss development to revamp the ASME Section III Division 5 Class B design rules. There will be a plan in the FY24 to assess extrapolation methods for other Class A materials, alternative strain range evaluations for fatigue damage, evaluation of Class B intersection point in D-diagram relative to material-specific Class A intersection points, and evaluation of new Class B rules against Class A rules based on Elastic-Perfectly Plastic (EPP) methodology and full inelastic analysis method, using sample problems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1987

Containerless high temperature property measurements by atomic fluorescence

Containerless high temperature processing and material property measurements are discussed. Researchers developed methods for non-contact suspension, heating, and property measurement for materials at temperatures up to 3,680K, the melting point of tungsten. New, scientifically interesting results were obtained in Earth-based research. These results and the demonstration of new methods and techniques form a basis for further advances under the low gravity environment of space where containerless conditions are more easily achieved. Containerless high temperature material property investigations that have been completed in this and our earlier projects include measurements of fluorine LaB sub 6 reaction kinetics at 1,000 to 1,500K; optical property measurements on sapphire (Al2O3) at temperatures up to the melting point (2,327K); and vapor pressure measurements for LaB sub 6 at 2,000 to 2,500K, for molybdenum up to 2,890K and for tungsten up to 3,680K. Gas jet levitation which is applicable to any solid material, and electromagnetic levitation of electrical conductors were used to suspend the materials of interest. Non-contact heating and property measurements were achieved by optical techniques, i.e., laser heating, laser induced fluorescence measurements of vapor concentrations, and optical pyrometry for specimen temperatures.

Nordine, Paul C.↗
DOE OSTI2015

A molecular dynamics study of melting and dissociation of tungsten nanoparticles

Molecular dynamics simulations were conducted to study the melting and dissociation of free tungsten nanoparticles. For the various interatomic potentials applied, the melting points of the tungsten nanoparticles increased with increasing nanoparticle diameter. Combining these results with the melting point of bulk tungsten in the experiment, the melting point of nanoparticles with diameters ranging from 4 to 12 nm could be determined. As the temperature increases, free nanoparticles are subject to dissociation phenomena. The dissociation rate was observed to follow Arrhenius behavior, and the Meyer–Neldel rule was obeyed. These results are useful in understanding the behavior of tungsten dust generated in nuclear fusion devices as well as for the preparation, formation, and application of tungsten powders.

36 MATERIALS SCIENCE↗
NASA NTRS1993

A computer-controlled apparatus for Seebeck inhomogeneity testing of sheathed thermocouples

Mineral-insulated metal-sheathed (MIMS) thermocouple assemblies are used throughout industry and research facilities as a method of temperature measurement where requirements for either harsh environmental conditions exist, or where rigidity of the measurement probe is required. Seebeck inhomogeneity is the abnormal variation of the Seebeck coefficient from point to point in a material. It is not disclosed in conventional calibration. A standardized method of measuring thermoelectric inhomogeneity along the thermocouple probe length is not available. Therefore, calibration for sheathed probes normally does not include testing of probe inhomogeneity. The measurement accuracy would be severely impacted if significant inhomogeneity and a temperature gradient were present in the same region of the probe. A computer-controlled system for determining inhomogeneities was designed, fabricated, and tested. This system provides an accurate method for the identification of the location of inhomogeneity along the length of a sheathed thermocouple and for the quantification of the inhomogeneity. This paper will discuss the apparatus and procedure used to perform these tests and will present data showing tests performed on sheathed thermocouple probes.

Burkett, Cecil G., Jr.↗
NASA NTRS1976

Prediction of the acoustic impedance of duct liners

Recent research which contributes to the prediction of the acoustic impedance of duct liners is reviewed. This review includes the linear and nonlinear properties of sheet and bulk type materials and methods for the measurement of these properties. It also includes the effect of grazing flow on the acoustic properties of materials. Methods for predicting the properties of single or multilayered, point reacting or extended reaction, and flat or curved liners are discussed. Based on this review, methods for predicting the properties of the duct liners which are typically used in aircraft engines are recommended. Some areas of needed research are discussed briefly.

Zorumski, W. E.↗
NASA NTRS2010

X-Ray Diffraction Wafer Mapping Method for Rhombohedral Super-Hetero-Epitaxy

A new X-ray diffraction (XRD) method is provided to acquire XY mapping of the distribution of single crystals, poly-crystals, and twin defects across an entire wafer of rhombohedral super-hetero-epitaxial semiconductor material. In one embodiment, the method is performed with a point or line X-ray source with an X-ray incidence angle approximating a normal angle close to 90 deg, and in which the beam mask is preferably replaced with a crossed slit. While the wafer moves in the X and Y direction, a narrowly defined X-ray source illuminates the sample and the diffracted X-ray beam is monitored by the detector at a predefined angle. Preferably, the untilted, asymmetric scans are of {440} peaks, for twin defect characterization.

Park, Yoonjoon↗
DOE OSTI2016

Composite laminate failure parameter optimization through four-point flexure experimentation and analysis

Fiber-reinforced composite materials offer light-weight solutions to many structural challenges. In the development of high-performance composite structures, a thorough understanding is required of the composite materials themselves as well as methods for the analysis and failure prediction of the relevant composite structures. However, the mechanical properties required for the complete constitutive definition of a composite material can be difficult to determine through experimentation. Therefore, efficient methods are necessary that can be used to determine which properties are relevant to the analysis of a specific structure and to establish a structure's response to a material parameter that can only be defined through estimation. The objectives of this paper deal with demonstrating the potential value of sensitivity and uncertainty quantification techniques during the failure analysis of loaded composite structures; and the proposed methods are applied to the simulation of the four-point flexural characterization of a carbon fiber composite material. Utilizing a recently implemented, phenomenological orthotropic material model that is capable of predicting progressive composite damage and failure, a sensitivity analysis is completed to establish which material parameters are truly relevant to a simulation's outcome. Then, a parameter study is completed to determine the effect of the relevant material properties' expected variations on the simulated four-point flexural behavior as well as to determine the value of an unknown material property. This process demonstrates the ability to formulate accurate predictions in the absence of a rigorous material characterization effort. Finally, the presented results indicate that a sensitivity analysis and parameter study can be used to streamline the material definition process as the described flexural characterization was used for model validation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Saddle point search with dynamic active volume

Sampling potential energy surface (PES) is critical for many problems in materials science, chemistry, physics, and biology and requires highly efficient saddle point searches (SPS). In the study, we introduce the concept of dynamic active volume (DAV) in addition to the active volume in self-evolving atomistic kinetic Monte Carlo (SEAKMC). The DAV method has further reduced the dimensionality of the PES at the elevation stage of a SPS. At the subsequent converging stage, the dynamic boundary in DAV is lifted to allow the system to converge to the right location of a saddle point. Coupled with the dimer method, the DAV method not only significantly reduces the time cost for a given search attempt, but also dramatically increases the probability of finding relevant saddle points for PES sampling. Further, a Python software package within the framework SEAKMC (SEAKMC_py) with the DAV method has been developed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

MO-FG-204-01: Improved Noise Suppression for Dual-Energy CT Through Entropy Minimization

Purpose: In dual energy CT (DECT), noise amplification during signal decomposition significantly limits the utility of basis material images. Since clinically relevant objects contain a limited number of materials, we propose to suppress noise for DECT based on image entropy minimization. An adaptive weighting scheme is employed during noise suppression to improve decomposition accuracy with limited effect on spatial resolution and image texture preservation. Methods: From decomposed images, we first generate a 2D plot of scattered data points, using basis material densities as coordinates. Data points representing the same material generate a highly asymmetric cluster. We orient an axis by minimizing the entropy in a 1D histogram of these points projected onto the axis. To suppress noise, we replace pixel values of decomposed images with center-of-mass values in the direction perpendicular to the optimal axis. To limit errors due to cluster overlap, we weight each data point’s contribution based on its high and low energy CT values and location within the image. The proposed method’s performance is assessed on physical phantom studies. Electron density is used as the quality metric for decomposition accuracy. Our results are compared to those without noise suppression and with a recently developed iterative method. Results: The proposed method reduces noise standard deviations of the decomposed images by at least one order of magnitude. On the Catphan phantom, this method greatly preserves the spatial resolution and texture of the CT images and limits induced error in measured electron density to below 1.2%. In the head phantom study, the proposed method performs the best in retaining fine, intricate structures. Conclusion: The entropy minimization based algorithm with adaptive weighting substantially reduces DECT noise while preserving image spatial resolution and texture. Future investigations will include extensive investigations on material decomposition accuracy that go beyond the current electron density calculations. This work was supported in part by the National Institutes of Health (NIH) under Grant Number R21 EB012700.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Saddle point sampling using scaled normal coordinates

The sampling of saddle points (SPs) on a potential energy surface (PES) is critical for describing the dynamics and transport properties of materials. In this paper we propose a saddle point search (SPS) method that enables efficient sampling of practically meaningful SPs around a local minimum by converting the PES to the scaled normal coordinates (SNCs), together with the dimer method. We find that the pathway leading to a SP using SNCs is highly efficient and is independent of the system size. This results in the significantly increased SPS efficiency and the enhanced possibility of a complete catalog of the SPs. In addition, we perform SPSs using the SNCs for the diffusion of a vacancy and a dumbbell in body-centered cubic Fe and demonstrate (1) the required number of system force evaluations for a SPS decreases by at least an order of magnitude, (2) the effects of the system size on the number of force evaluations are greatly decreased, and (3) the effects of the number of atoms involved in the SPS on the probability of finding practically meaningful SPs is mostly eliminated. We also discuss the computational cost of introducing the SNCs. It should be highlighted that the SNCs could also be applied to other minimum-mode following methods, demonstrating the general versatility of the proposed method.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A multi-scale analysis of the impact of pressure on melting of crystalline phase change material germanium telluride

The impact of the moderate pressure (about 10{sup 0 }GPa) on the melting of crystalline (c-) phase change material (PCM) germanium telluride (GeTe) is analyzed, by combining the heat transfer equation in the PCM device scale (10{sup 1}–10{sup 2 }nm and beyond), and the ab initio molecular dynamics and the nudged elastic band simulations in the atomistic scale (10{sup −1}–10{sup 0 }nm). The multi-scale analysis unravels that a pressure P = 1.0 GPa can increase the melting temperature of c-GeTe and the PCM device “reset” operation energy consumption by 6%–7%. It is shown that the melting temperature increase originates from the pressure-induced raise of the energy barrier of the umbrella-flip transition of the Ge atom from the octahedral symmetry site to the tetrahedral symmetry site. It is revealed that when P > 1.0 GPa, which is normal in PCM devices, the “reset” energy will be increased even by more. Based on the analysis, suggestions to alleviate pressure-induced raise of melting temperature and “reset” energy are provided.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

MO-A-BRD-02: Noise Suppression for Dual-Energy CT Through Entropy Minimization

Purpose: In dual energy CT (DECT), noise amplification during signal decomposition significantly limits the utility of basis material images. Since clinically relevant objects contain a limited number of materials, we propose to suppress noise in decomposed images through entropy minimization within a 2D transformation space. Distinct from other noise suppression techniques, the entropy minimization method does not estimate and suppress noise based on spatial variations of signals and thus maximally preserves image spatial resolution. Methods: From decomposed images, we first generate a 2D plot of scattered data points, using basis material densities as coordinates. Data points representing the same material generate a cluster with a highly asymmetric shape. We orient an axis by minimizing the entropy in a 1D histogram of these points projected onto the axis. To suppress noise, we replace the pixel values of decomposed images with center-of-mass values in the direction perpendicular to the optimized axis. The proposed method's performance is assessed using a Catphan 600 phantom and an anthropomorphic head phantom. Electron density calculations are used to quantify its accuracy. Our results are compared to those without noise suppression, with a filtering method, and with a recently developed iterative method. Results: On both phantoms, the proposed method reduces noise standard deviations of the decomposed images by at least on order of magnitude. In the Catphan study, this method retains the spatial resolution of the CT images and increases the accuracy of electron density calculations. In the head phantom study, the proposed method outperforms the others in retaining fine, intricate structures. Conclusion: This work shows that the proposed method of noise suppression through entropy minimization for DECT suppresses noise without loss of spatial resolution while increasing electron density calculation accuracy. Future investigations will analyze possible bias and incorporate spatial information into the technique for further noise reduction. The work is partially supported by the NIH under the grant number R21EB012700.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2011

Mechanism for transient migration of xenon in UO{sub 2}

In this letter, we report recent work on atomistic modeling of diffusion migration events of the fission gas product xenon in UO{sub 2} nuclear fuel. Under nonequilibrium conditions, Xe atoms can occupy the octahedral interstitial site, in contrast to the thermodynamically most stable uranium substitutional site. A transient migration mechanism involving Xe and two oxygen atoms is identified using basin constrained molecular dynamics employing a Buckingham type interatomic potential. This mechanism is then validated using density functional theory calculations using the nudged elastic band method. An overall reduction in the migration barrier of 1.6-2.7 eV is obtained compared to vacancy-mediated diffusion on the uranium sublattice.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Evaluation of methods and improvement of predictions for specification properties of petroleum-based and alternative aviation fuels

To support our research and process modeling for liquid fuels, including blends, from petroleum and synthetic sources such as from biomass intermediates, we evaluated composition-based prediction methods and improved predictions for five key specification properties of petroleum-based and alternative aviation fuels, namely distillation temperatures (10 % distilled, t 10 , and final boiling point, t FBP ), density, flash point, net heat of combustion, and freezing point. The types of fuels included were petroleum-based jet fuels, jet-fuel surrogate mixtures, synthetic blending components obtained from different sources, and blends of Jet A with many synthetic blending components. Expanded datasets to update associated parameters allowed significant improvements for one of the prediction methods used in earlier work, namely the Modified Weighted Average method published initially by Shi et al. By considering the importance of lighter compounds for flash points and heavier compounds for freezing points, the revised Modified Weighted Average method was further improved. For liquid density, the revised Modified Weighted Average method gave the best overall results. The revised Modified Weighted Average method, the American Society for Testing and Materials D7215 method, and the D7215 method modified by another group gave comparable results for flash point, while the revised Modified Weighted Average and D3338 methods gave the best results for net heat of combustion. Freezing point was well predicted using the revised Modified Weighted Average method and showed the most significant improvements over current predictions. Distillation temperature t 10 was not well predicted, while t FBP was predicted with a mean absolute error comparable to experimental reproducibility.

09 BIOMASS FUELS↗
DOE OSTI2011

Intercomparison of gamma scattering, gammatography and radiography techniques for mild steel nonuniform corrosion detection

This paper focuses on the mild steel (MS) corrosion detection and intercomparison of results obtained by gamma scattering, gammatography, and radiography techniques. The gamma scattering non-destructive evaluation (NDE) method utilizes scattered gamma radiation for the detection of corrosion, and the scattering experimental setup is an indigenously designed automated personal computer (PC) controlled scanning system consisting of computerized numerical control (CNC) controlled six-axis source detector system and four-axis job positioning system. The system has been successfully used to quantify the magnitude of corrosion and the thickness profile of a MS plate with nonuniform corrosion, and the results are correlated with those obtained from the conventional gammatography and radiography imaging measurements. A simple and straightforward reconstruction algorithm to reconstruct the densities of the objects under investigation and an unambiguous interpretation of the signal as a function of material density at any point of the thick object being inspected is described. In this simple and straightforward method the density of the target need not be known and only the knowledge of the target material's mass attenuation coefficients (composition) for the incident and scattered energies is enough to reconstruct the density of the each voxel of the specimen being studied. The Monte Carlo (MC) numerical simulation of the phenomena is done using the Monte Carlo N-Particle Transport Code (MCNP) and the quantitative estimates of the values of signal-to-noise ratio for different percentages of MS corrosion derived from these simulations are presented and the spectra are compared with the experimental data. The gammatography experiments are carried out using the same PC controlled scanning system in a narrow beam, good geometry setup, and the thickness loss is estimated from the measured transmitted intensity. Radiography of the MS plates is carried out using 160 kV x-ray machine. The digitized radiographs with a resolution of 50 {mu}m are processed for the detection of corrosion damage in five different locations. The thickness losses due to the corrosion of the MS plate obtained by gamma scattering method are compared with those values obtained by gammatography and radiography techniques. The percentage thickness loss estimated at different positions of the corroded MS plate varies from 17.78 to 27.0, from 18.9 to 24.28, and from 18.9 to 24.28 by gamma scattering, gammatography, and radiography techniques, respectively. Overall, these results are consistent and in line with each other.

36 MATERIALS SCIENCE↗
NASA NTRS1975

New insulation attachment method eliminates compatibility bondline stresses

Auger-shaped single-point fastener attaches rigid surface insulation tiles to orbiter shuttle spacecraft. Method can be used to bond wide variety of materials, including insulation, elastomers, and fibrous materials. Since insulation is attached at only one point, insulation and structure are free to form without inducing bond separation.

Schneider, W. C.↗