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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
NASA NTRS2024

Application of Long-Path Gas Cell Assisted Infrared Spectroscopy for Detection of Lunar Volatiles and Advanced Curation Efforts

The motivation behind analyzing gaseous samples from the Permanently Shadowed Regions (PSRs) on the lunar surface is built upon the volatiles observed during the LCROSS mission. Advanced curation techniques under cold conditions are essential to the critical scientific analysis of these returned samples. The detection of various volatiles in returned samples by gas-phase infrared (IR) spectroscopy is known to be a powerful tool to understand the resources present in planetary bodies and Astro-materials. The identification and quantification of volatile compounds in returned planetary samples and regolith simulants by advanced and custom-built analytical devices are areas of primary research interest in our group and the Planetary Exploration & Astromaterials Research Laboratory (PEARL) facility. In this context, we discuss recent advancements and experimental results for quick analysis of the major volatiles detected by the LCROSS (water, CO 2 , CH 3 OH, and NH 3 ) by a long-path gas cell/FTIR (Fourier Transform Infrared) spectrometer system. The applicability of this system is demonstrated by qualitative analysis of a series of volatiles measured individually. In addition, the linear dependence of absorption intensity on headspace sample volumes was checked by measuring gas-phase IR absorption spectra of increasing volumes of pure CO 2 gas aliquots. Finally, the instrument performance was evaluated by measuring the relative concentration of NH 3 (g) in methanol solution.

Curation↗
DOE OSTI2021

Fine grinding of thermoplastics by high speed friction grinding assisted by guar gum

High speed friction grinding has been used to grind plant and food substances in water but never been explored for grinding of thermoplastics like polylactic acid (PLA), low and high density polyethylene and polypropylene. Such grinding was investigated in this work and was made possible by using 0.5% guar gum solution instead of just water because increasing the viscosity of water reduced their settling and the speed of passing through the grinder. Additionally, tensile, flexural, and impact strengths of the plastics were studied and higher grinding efficiency of PLA could be explained by its low elongation-at-break compared to low density polyethylene, high density polyethylene, and polypropylene. The microplastics (2000–45 μm) were studied for mass and particle size distributions and by scanning electron microscopy, 13 C CP/MAS NMR, Fourier transform infrared spectroscopy, differential scanning calorimetry, and thermogravimetric analysis. In addition, viscosity of guar gum and contact angles was measured. This new technology can produce finely ground microplastics (710–45 μm) for a variety of applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Interlaminar improvement of carbon fiber/epoxy composites via fluorine‐containing high‐epoxy‐value sizing agent

Abstract To improve the interfacial bonding effect of carbon fibers (CFs) and epoxy resins, we prepared a fluorine‐containing high‐epoxy‐value sizing agent (named TS) in this article. It is an emulsion with a more uniform particle size distribution and higher stability better than a commercial Takemoto sizing agent. In addition, sulfonic acid groups can improve the hydrophilicity of the TS, and the presence of epoxy groups enhances the wettability between CFs and the matrix. The properties of the sizing agents were examined by Fourier transform infrared spectroscopy, dynamic light scattering, and thermogravimetric analysis. The sized CFs were evaluated by scanning electron microscopy, x‐ray photoelectron spectroscopy, monofilament tensile test, and dynamic contact angle. Afterward, CF/epoxy composites were prepared, and their fracture morphology and interlaminar shear strength (ILSS) were examined. Results indicated that the TS sizing significantly increased the content of activated carbon on the surface of the CFs and improved the bonding effect between the fiber and the matrix. After TS was sized, the ILSS increased from 49.64 to 58.74 MPa, 18.34% higher than unsized CF/epoxy composites, showing the prominent interfacial reinforcement better than commercial Takemoto.

Qiu, Zhijie↗
DOE OSTI2022

Na + -gated nanochannel membrane for highly selective ammonia (NH 3 ) separation in the Haber-Bosch process

Currently, cryogenic condensation is the predominant process for recovering ammonia (NH 3 ) in the Haber-Bosch (HB) process, which is highly energy intensive. To be more compatible with the reaction conditions in the HB process and thus minimize the pressure and temperature swing during reactant recycling, energy-efficient technologies for NH 3 extraction at elevated temperature and pressure are greatly needed. In this work, the Na + -gated nanochannel membrane, shown exclusively for water conduction in our previous work, also exhibited highly NH 3 -selective performance, with NH 3 /H 2 selectivity as high as 4,280 and NH 3 /N 2 selectivity > 10,000 at temperature up to 250 °C and pressure up to 35 bar. Excellent stability of the Na + -gated nanochannel membrane was demonstrated during a 100-h run in ternary NH 3 /H 2 /N 2 gas mixture at 200 °C and 35 bar, consistent with structural characterization by X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and Fourier transfer infrared (FTIR) spectroscopy. A techno-economic analysis (TEA) was conducted for the HB process using the Na + -gated nanochannel membrane and the traditional HB process with condenser. Finally, under the optimized separation conditions, > 80% energy savings and approximately 20% reduction of the net NH 3 production cost can be achieved, demonstrating the great potential of the Na + -gated nanochannel membrane for NH 3 separation in the HB process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Impedance-Based Detection of NO 2 Using Ni-MOF-74: Influence of Competitive Gas Adsorption

Chemically robust, low-power sensors are needed for the direct electrical detection of toxic gases. Metal–organic frameworks (MOFs) offer exceptional chemical and structural tunability to meet this challenge, though further understanding is needed regarding how coadsorbed gases influence or interfere with the electrical response. To probe the influence of competitive gases on trace NO 2 detection in a simulated flue gas stream, a combined structure–property study integrating synchrotron powder diffraction and pair distribution function analyses was undertaken, to elucidate how structural changes associated with gas binding inside Ni-MOF-74 pores correlate with the electrical response from Ni-MOF-74-based sensors. Data were evaluated for 16 gas combinations of N 2 , NO 2 , SO 2 , CO 2 , and H 2 O at 50 °C. Fourier difference maps from a rigid-body Rietveld analysis showed that additional electron density localized around the Ni-MOF-74 lattice correlated with large decreases in Ni-MOF-74 film resistance of up to a factor of 6 × 10 3 , observed only when NO 2 was present. These changes in resistance were significantly amplified by the presence of competing gases, except for CO 2 . Without NO 2 , H 2 O rapidly (<120 s) produced small (1–3×) decreases in resistance, though this effect could be differentiated from the slower adsorption of NO 2 by the evaluation of the MOF’s capacitance. Furthermore, samples exposed to H 2 O displayed a significant shift in lattice parameters toward a larger lattice and more diffuse charge density in the MOF pore. Evaluating the Ni-MOF-74 impedance in real time, NO 2 adsorption was associated with two electrically distinct processes, the faster of which was inhibited by competitive adsorption of CO 2 . Together, this work points to the unique interaction of NO 2 and other specific gases (e.g., H 2 O, SO 2 ) with the MOF’s surface, leading to orders of magnitude decrease in MOF resistance and enhanced NO2 detection. Finally, understanding and leveraging these coadsorbed gases will further improve the gas detection properties of MOF materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Biobased Semi-Interpenetrating Polymer Networks of Poly(ε-caprolactone) and Epoxidized Soybean Oil with Nanoscale Morphology, Shape-Memory Effect, and Biocompatibility

Creating biobased polymer blends with outstanding properties, nanoscale morphology, shape-memory capability, and biocompatibility is very crucial and requires a fundamental understanding of the phase behavior, macromolecular structure, and biological compatibility of the polymer blends with living cells. It is very critical to understand the complex relationships among the polymer structure, morphology, and performance of multifunctional smart materials under conditions that they are likely to encounter during use, particularly in biomedical applications. Biobased semi-interpenetrating polymer networks of poly(ε-caprolactone) and epoxidized soybean oil with nanoscale morphology have been successfully synthesized via in situ cationic polymerization and compatibilization in a homogeneous solution. Varies analytical and characterization techniques, such as Fourier transform infrared spectroscopy, differential scanning calorimetry, dynamic mechanical analysis, transmission electron microscopy, X-ray scattering, cell toxicity, and shape-memory effects (SMEs), have been employed to understand the structure–properties relationship of these smart, biobased nanostructured polymer blends. The synthesized nano blends were nontoxic or biocompatible and supported attachment of human vein endothelial cells, showing their potential use in biomedical applications. The current versatile, low-cost strategy for synthesizing the nanoscale morphology of semi-interpenetrating polymer networks with SMEs and biocompatibility should be widely applicable for polymer systems. This study is also considered as a continuation to our efforts in the area of biobased polymers to develop innovative technologies to transform natural resources into smart multifunctional materials for a wide range of applications, including coatings, adhesives, and medical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Sustainable Shape Memory Elastomers with Reduced Melt Viscosity and Enhanced Stiffness

Melt reactive processing of lignin with nitrile rubber is a promising approach to synthesizing shape memory materials. The strong intramolecular interactions in lignin macromolecular structures, caused by π–π stacking in aromatic rings and hydrogen bonding, often result in large phase separation or low miscibility with rubbers. In this study, we investigated the chemical and molecular characteristics, as well as the stiffness and complex viscosity, of modified kraft lignin melt-reacted with an acrylonitrile/butadiene copolymer containing 41% acrylonitrile (NBR41). To enhance the macromolecular compatibility of kraft lignin with NBR41, kraft lignin was cross-linked with poly(propylene glycol) diglycidyl ether (PPDE) and trimethylolpropane triglycidyl ether (TTE), both rich in epoxy reactive groups capable of forming chemical bonds with hydroxyl and carboxyl groups. Here, our findings demonstrate that the modification of kraft lignin with PPDE and TTE resulted in significantly increased stiffness of the composites. The elastic modulus of NBR41-Kraft lignin-PPDE and NBR41-Kraft lignin-TTE increased by 82 and 162%, respectively. Both the yield strength and Young’s modulus of these two samples showed dramatic improvements. Specifically, the yield strength and Young’s modulus of NBR41-Kraft lignin-TTE increased nearly 4 and 3-fold, respectively, compared to the control sample. Interestingly, despite significant improvements in mechanical properties, the viscosity of NBR41-Kraft lignin-PPDE was substantially lower than that of the control sample. At 210 °C and an angular frequency of 1 rad/s, the complex viscosity of NBR41-Kraft lignin was approximately 100.25 ± 4.77 kPa·s, while that of NBR41-Kraft lignin-PPDE was significantly lower at 56 ± 0.93 kPa·s. These findings were validated through Fourier transform infrared spectroscopy, scanning electron microscopy, dynamic mechanical analysis, thermal characterization, rheological tests, and quasi-elastic neutron scattering techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Implementation of Distributed Memory Computing in MOSAIC to Enable Large 3D Simulations of Irradiated Concrete

The concrete biological shield (CBS) of light-water reactors protects workers and the surrounding environment by absorbing neutron and gamma irradiation emitted from the reactor core. The radiation dose increases with the CBS’s operational time and, in the long term, becomes significant enough to raise the question of irradiation effects on concrete—and particularly on the structural integrity of the CBS. Irradiation-induced damage has been identified as one of the main degradation mechanisms in the CBS. Neutron radiation causes the swelling of aggregate-forming minerals at different rates and amplitudes depending on the mineral’s nature. Silicate-bearing minerals such as quartz are particularly sensitive to neutron radiation and experience up to 17.8% volumetric expansion. Aggregates comprise several minerals with different orientations and are, therefore, subject to cracking as a result of mismatch strains. Additionally, the swelling of aggregates creates significant stresses in the surrounding cement paste matrix, which also results in crack formation. In parallel with the collection of characterization and irradiation test data, development of modeling and simulation tools for irradiated concrete is ongoing with the support of the US Department of Energy Office of Nuclear Energy’s Light Water Reactor Sustainability (LWRS) program. This effort resulted in the development and application of the fast-Fourier transform (FFT)–based code Microstructure-Oriented Scientific Analysis of Irradiated Concrete (MOSAIC) at Oak Ridge National Laboratory.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2023

A Progress Report for a 44-month Aging Study on Nitroplasticizer (NP) Stability – Summary of KF and TGA Results

In the past few years, a 44-month long aging experiment was conducted under various aging conditions. The properties of aged nitroplasticizer (NP) samples were analyzed using Fourier transform infrared spectroscopy, Karl Fischer (KF) titration, thermogravimetric analysis (TGA), liquid chromatography tandem quadrupole time of flight mass spectrometry, and ion chromatography. In this progress report, complete KF and TGA results are reported and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Progress Report for a 44-month Aging Study on Nitroplasticizer (NP) Stability - Summary of DFT and FTIR Results

In the past few years, a 44-month long aging experiment was conducted under various aging conditions. The properties of aged nitroplasticizer (NP) samples were analyzed using Fourier transform infrared spectroscopy, Karl Fischer (KF) titration, thermogravimetric analysis (TGA), liquid chromatography tandem quadrupole time of flight mass spectrometry (LC/QTOF), and ion chromatography (IC). In this progress report, some FTIR results are documented and discussed. On the theoretical front, density functional theory (DFT) calculations were carried out. Some DFT results are discussed as well.

36 MATERIALS SCIENCE↗
NASA NTRS1979

A comparison of WFTA and FFT programs

Bounds on the minimum number of data transfers (i.e., loads and stores) required by WFTA (Winograd Fourier Transform Algorithm) and FFT programs are presented. The analysis is applicable to those general-purpose computers with a small number of general processor registers (e.g., the IBM370, PDP-11, etc.). It is shown that the 1008-point WFTA requires about 21% more data transfers than the 1024-point radix-4 FFT; on the other hand, the 120-point WFTA has about 22% fewer data transfers than the 128-point radix-2 FFT. Finally, comparisons of the 'total' program execution times (multiplications, additions, and data transfers, but not indexing or permutations) are presented.

Nawab, H.↗
NASA NTRS1981

Simplification of multiple Fourier series - An example of algorithmic approach

This paper describes one example of multiple Fourier series which originate from a problem of spectral analysis of time series data. The example is exercised here with an algorithmic approach which can be generalized for other series manipulation on a computer. The generalized approach is presently pursued towards applications to a variety of multiple series and towards a general purpose algorithm for computer algebra implementation.

Ng, E. W.↗
NASA NTRS1984

Secondary pattern computation of an arbitrarily shaped main reflector

The secondary pattern of a perfectly conducting offset main reflector being illuminated by a point feed at an arbitrary location was studied. The method of analysis is based upon the application of the Fast Fourier Transform (FFT) to the aperture fields obtained using geometrical optics (GO) and geometrical theory of diffraction (GTD). Key features of the reflector surface is completely arbitrary, the incident field from the feed is most general with arbitrary polarization and location, and the edge diffraction is calculated by either UAT or by UTD. Comparison of this technique for an offset parabolic reflector with the Jacobi-Bessel and Fourier-Bessel techniques shows good agreement. Near field, far field, and scan data of a large reflector are presented.

Lam, P. T. C.↗
NASA NTRS1985

Adhesive evaluation of LARC-TPI and a water-soluble version of LARC-TPI

The results of a study to evaluate two Langley Research Center thermoplastic polimide (TPI) materials, identified as TPI/MTC for the material from Mitsui Toatsu Chemicals Inc. and TPI/H2O for the material from United Technologies Research Center, as high temperature thermoplastic adhesives and primers for bonding titanium (6AL-4V) adherends are discussed. A limited characterization of the materials was performed using a Diffuse Reflectance-Fourier Transform Infrared Spectroscopy (DR-FTIR) technique. Thermomechanical Analysis (TMA) and torsional braid techniques were used to determine glass transition temperature. The adhesive's strength, as determined by simple lap shear tests, as used to evaluate the effects of long term thermal exposure (up to 1000 hrs) at 204 deg C and a 72-hour water-boil.

Progar, D. J.↗
NASA NTRS1985

Secondary pattern computation of an arbitrarily shaped main reflector

The secondary pattern of a perfectly conducting offset main reflector being illuminated by a point feed at an arbitrary location is studied. The method of analysis is based upon the application of the Fast Fourier Transform (FFT) to the aperture fields obtained using geometrical optics (GO) and geometrical theory of diffraction (GTD). Key features of the present work are (1) the reflector surface is completely arbitrary, (2) the incident field from the feed is most general with arbitrary polarization and location, and (3) the edge diffraction is calculated by either UAT or by UTD. Comparison of this technique for an offset parabolic reflector with the Jacobi-Bessel and Fourier-Bessel techniques shows good agreement. Near field, far field, and scan data of a large refelctor are presented.

Lee, S. W.↗
NASA NTRS1986

Adhesive evaluation of LARC-TPI and a water-soluble version of LARC-TPI

The results of a study to evaluate two Langley Research Center thermoplastic polimide (TPI) materials, identified as TPI/MTC for the material from Mitsui Toatsu Chemicals Inc. and TPI/H2O for the material from United Technologies Research Center, as high temperature thermoplastic adhesives and primers for bonding titanium (6AL-4V) adherends are discussed. A limited characterization of the materials was performed using a Diffuse Reflectance-Fourier Transform Infrared Spectroscopy (DR-FTIR) technique. Thermomechanical Analysis (TMA) and torsional braid techniques were used to determine glass transition temperature. The adhesive's strength, as determined by simple lap shear tests, was used to evaluate the effects of long term thermal exposure (up to 1000 hrs) at 204 deg C and a 72-hour water-boil.

Progar, D. J.↗
NASA NTRS1988

An automatic frequency control loop using overlapping DFTs (Discrete Fourier Transforms)

An automatic frequency control (AFC) loop is introduced and analyzed in detail. The new scheme is a generalization of the well known Cross Product AFC loop that uses running overlapping discrete Fourier transforms (DFTs) to create a discriminator curve. Linear analysis is included and supported with computer simulations. The algorithm is tested in a low carrier to noise ratio (CNR) dynamic environment, and the probability of loss of lock is estimated via computer simulations. The algorithm discussed is a suboptimum tracking scheme with a larger frequency error variance compared to an optimum strategy, but offers simplicity of implementation and a very low operating threshold CNR. This technique can be applied during the carrier acquisition and re-acquisition process in the Advanced Receiver.

Aguirre, S.↗
NASA NTRS1995

The initial-value problem for viscous channel flows

Plane viscous channel flows are perturbed and the ensuing initial-value problems are investigated in detail. Unlike traditional methods where traveling wave normal modes are assumed for solution, this works offers a means whereby completely arbitrary initial input can be specified without having to resort to eigenfunction expansions. The full temporal behavior, including both early time transients and the long time asymptotics, can be determined for any initial disturbance. Effects of three-dimensionality can be assessed. The bases for the analysis are: (a) linearization of the governing equations; (b) Fourier decomposition in the spanwise and streamwise directions of the flow; and (c) direct numerical integration of the resulting partial differential equations. All of the stability data that are known for such flows can be reproduced. Also, the optimal initial condition can be determined in a straight forward manner and such optimal conditions clearly reflect transient growth data that is easily determined by a rational choice of a basis for the initial conditions. Although there can be significant transient growth for subcritical values of the Reynolds number using this approach it does not appear possible that arbitrary initial conditions will lead to the exceptionally large transient amplitudes that have been determined by optimization of normal modes. The approach is general and can be applied to other classes of problems where only a finite discrete spectrum exists, such as the boundary layer for example.

Criminale, W. O.↗