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Results for “quantitative analysis”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A quantitative analysis of hydraulic interaction processes in stream-aquifer systems

The hydraulic relationship between the stream and aquifer can be altered from hydraulic connection to disconnection when the pumping rate exceeds the maximum seepage flux of the streambed. This study proposes to quantitatively analyze the physical processes of stream-aquifer systems from connection to disconnection. A free water table equation is adopted to clarify under what conditions a stream starts to separate hydraulically from an aquifer. Both the theoretical analysis and laboratory tests have demonstrated that the hydraulic connectedness of the stream-aquifer system can reach a critical disconnection state when the horizontal hydraulic gradient at the free water surface is equal to zero and the vertical is equal to 1. A boundary-value problem for movement of the critical point of disconnection is established for an analytical solution of the inverted water table movement beneath the stream. The result indicates that the maximum distance or thickness of the inverted water table is equal to the water depth in the stream, and at a steady state of disconnection, the maximum hydraulic gradient at the streambed center is 2. In conclusion, this study helps us to understand the hydraulic phenomena of water flow near streams and accurately assess surface water and groundwater resources.

42 ENGINEERING↗
DOE OSTI2015

Quantitative analysis of microstructure and deformation mechanisms during isothermal compression of Ti–5Al–5Mo–5V–1Cr–1Fe alloy

The effects of the processing parameters on the grain size and volume fraction of equiaxed α for Ti–5Al–5Mo–5V–1Cr–1Fe are quantitatively investigated using isothermal compression tests. The microstructure features, such as the morphology of equiaxed and acicular α phase, the dislocation distribution, the formation of substructure are in depth discussed with the help of transmission electron microscopy (TEM) and scanning electron microscopy (SEM) experiments so as to clarify the deformation mechanisms. The results show that few DRX α grains appear in the α + β phase region. In the β phase region, selective DRX occurs and the amount of DRX increases with increasing strain rate. DRV is main softening mechanism in the tested deformation temperature range. The elongated β grains are observed at medium deformation temperatures and lower strain rates. This phenomenon demonstrates that β phase is mainly involved in the deformation. At higher deformation temperatures and lower strain rates, acicular α is not observed for this alloy. Possible reason is that acicular α dissolves into the β matrix. - Highlights: • Few DRX α grains appear in the α + β phase region. • DRX occurs in the β phase region and raises with increasing strain rate. • α phase deforms less than β matrix at medium temperatures and lower strain rates. • Acicular α is not observed at higher temperatures and lower strain rates.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Quantitative Analysis of The High‐Yield Hydrolysis of Kelp by Laminarinase and Alginate Lyase

Abstract Kelp is an abundant, farmable biomass‐containing laminarin and alginate as major polysaccharides, providing an excellent model substrate to study their deconstruction by simple enzyme mixtures. Our previous study showed strong reactivity of the glycoside hydrolase family 55 during hydrolysis of purified laminarin, raising the question of its reactivity with intact kelp. In this study, we determined that a combination of a single glycoside hydrolase family 55 β‐1,3‐exoglucanase with a broad‐specificity alginate lyase from the polysaccharide lyase family 18 gives efficient hydrolysis of untreated kelp to a mixture of simple sugars, that is, glucose, gentiobiose, mannitol‐end glucose, and mannuronic and guluronic acids and their soluble oligomers. Quantitative assignments from nanostructure initiator mass spectrometry (NIMS) and 2D HSQC NMR spectroscopy and analysis of the reaction time‐course are provided. The data suggest that binary combinations of enzymes targeted to the unique polysaccharide composition of marine biomass are sufficient to deconstruct kelp into soluble sugars for microbial fermentation.

2D HSQC NMR↗
DOE OSTI2015

Quantitative analysis of Indonesia’s reserves and energy security as an evaluation by the nation in facing global competition

Energy security has become a serious concern for all countries in the world and each country has its own definiton for measuring its energy security. The objective of this study was to measure energy security of Indonesia quantitatively by comparing it with other countries and provide some recommendations for enhancing the energy security. In this study, the database was developed from various sources and was cross-checked to confirm validity of the data. Then the parameters of energy security were defined, where all of data will be processed towards the selected parameters. These parameters (e.g. Primary Energy mix, TPES/capita, FEC/capita, Self Sufficiency, Refining capacity, Overseas Energy Resources, Resources diversification) are the standards used to produce an analysis or evaluation of national energy management. Energy balances for Indonesia and 10 selected countries (USA, Germany, Russia, England, Japan, China, South Korea, Singapore, Thailand and India) were presented from 2009 to 2013. With a base index of 1.0 for Indonesia, calculated energy security index capable of representing Indonesia energy security compared relatively to other countries were also presented and discussed in detail. In 2012, Indonesia security index is ranked 11 from 11 countries, while USA and South Korea are the highest with security index of 3.36 and 2.89, respectively. According to prediction for 2025, Indonesia energy security is ranked 10 from 11 countries with only Thailand has lower security index (0.98). This result shows that Indonesia energy security was vulnerable to crisis and must be improved. Therefore this study proposed some recommendations to improve Indonesia energy security. Indonesia need to increase oil production by constructing new refinery plants, developing infrastructure for energy distribution to reduce the potential of energy shortage and accelerating the utilization of renewable energy to reduce the excessive use of primary energy. From energy policy proposed in this study, Indonesia energy security for 2025 could be improved to ranked 8 of 11 countries, better than Malaysia, Thailand and Singapore.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2018

Quantitative Analysis of Damping Enhancement and Piezoelectric Effect Mechanism of CNTs/PMN/EP Composites

New types of piezoelectric damping materials, including carbon nanotubes (CNTs)/lead magnesium niobate (PMN)/epoxy (EP) resin, are developed. The tan δ area (TA) analysis method is selected to evaluate the damping properties which obviously clarifies the effect of maximum loss factor (tan δ ) and effective temperature range on damping properties. Furthermore, the dominant factor of damping enhancement is quantitatively analyzed via the value of TA. Compared with PMN, the interfacial friction of CNTs acts as the dominant factor for the content less than 0.6 wt.%. The maximum damping percentage of CNTs reaches 29.14%. CNTs form loop circuits gradually with the content of CNTs increasing, and electrical energy generated via piezoelectric effect of PMN is efficiently dissipated through the conductive network. Thus, PMN becomes the dominant factor as the content of CNTs exceeds 0.8 wt.%, and the damping percentage reaches 47.43% at the content of CNTs of 1.0 wt.%.

Pan, Shiyue (ORCID:0000000257419000)↗
DOE OSTI2024

Separation of Lipoproteins for Quantitative Analysis of 14 C-Labeled Lipid-Soluble Compounds by Accelerator Mass Spectrometry

To date, 14 C tracer studies using accelerator mass spectrometry (AMS) have not yet resolved lipid-soluble analytes into individual lipoprotein density subclasses. The objective of this work was to develop a reliable method for lipoprotein separation and quantitative recovery for biokinetic modeling purposes. The novel method developed provides the means for use of small volumes (10–200 µL) of frozen plasma as a starting material for continuous isopycnic lipoprotein separation within a carbon- and pH-stable analyte matrix, which, following post-separation fraction clean up, created samples suitable for highly accurate 14 C/ 12 C isotope ratio determinations by AMS. Manual aspiration achieved 99.2 ± 0.41% recovery of [5- 14 CH 3 ]-(2R, 4'R, 8'R)-α-tocopherol contained within 25 µL plasma recovered in triacylglycerol rich lipoproteins (TRL = Chylomicrons + VLDL), LDL, HDL, and infranatant (INF) from each of 10 different sampling times for one male and one female subject, n = 20 total samples. Small sample volumes of previously frozen plasma and high analyte recoveries make this an attractive method for AMS studies using newer, smaller footprint AMS equipment to develop genuine tracer analyses of lipophilic nutrients or compounds in all human age ranges.

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

Quantitative analysis of intermolecular interactions in orthorhombic rubrene

Rubrene is one of the most studied organic semiconductors to date due to its high charge carrier mobility which makes it a potentially applicable compound in modern electronic devices. Previous electronic device characterizations and first principles theoretical calculations assigned the semiconducting properties of rubrene to the presence of a large overlap of the extended π-conjugated core between molecules. We present here the electron density distribution in rubrene at 20 K and at 100 K obtained using a combination of high-resolution X-ray and neutron diffraction data. The topology of the electron density and energies of intermolecular interactions are studied quantitatively. Specifically, the presence of C π ...C π interactions between neighbouring tetracene backbones of the rubrene molecules is experimentally confirmed from a topological analysis of the electron density, Non-Covalent Interaction (NCI) analysis and the calculated interaction energy of molecular dimers. A significant contribution to the lattice energy of the crystal is provided by H—H interactions. The electron density features of H—H bonding, and the interaction energy of molecular dimers connected by H—H interaction clearly demonstrate an importance of these weak interactions in the stabilization of the crystal structure. Finally, the quantitative nature of the intermolecular interactions is virtually unchanged between 20 K and 100 K suggesting that any changes in carrier transport at these low temperatures would have a different origin. The obtained experimental results are further supported by theoretical calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Absolute Band Intensity of the Iodine Monochloride Fundamental Mode for Infrared Sensing and Quantitative Analysis

Iodine monochloride (ICl) is a gaseous off-product of molten salt reactors; monitoring this heteronuclear diatomic is of great interest for both environmental and safety purposes. In this paper we investigate the possibility of infrared monitoring of ICl by measuring the far-infrared absorption cross section of its fundamental band near 381 cm -1 . We have performed quantitative studies of the neat gas in a 20 cm cell at 25, 35, 50 and 70 oC at multiple pressures up to ~ 9 Torr and investigated the temperature and pressure dependence of the band’s infrared cross section. Quantitative measurements were problematic due to sample adhesion to the cell walls and windows as well as reactions/possible hydrolysis of ICl to form HCl gas. Effects were mitigated by measuring only the neat gas, using short measurement times and subtracting out the partial pressure of the HCl(g). The integrated band strength is shown to be temperature independent and was found to be equal to 9.1 x 10 -19 (cm 2 /molecule) cm-1. As expected, the temperature dependence of the band profile showed only a small effect over this limited temperature range. Furthermore, we have also investigated using the absorption data along with inverse least squares multivariate methods for the quantitative monitoring of ICl effluent concentrations under different scenarios using infrared (standoff) sensing and compare these results with traditional Beer’s Law (univariate) techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Quantitative analysis of anisotropic magnetoresistance in Co{sub 2}MnZ and Co{sub 2}FeZ epitaxial thin films: A facile way to investigate spin-polarization in half-metallic Heusler compounds

Anisotropic magnetoresistance (AMR) effect has been systematically investigated in various Heusler compounds Co{sub 2}MnZ and Co{sub 2}FeZ (Z = Al, Si, Ge, and Ga) epitaxial films and quantitatively summarized against the total valence electron number N{sub V}. It was found that the sign of AMR ratio is negative when N{sub V} is between 28.2 and 30.3, and turns positive when N{sub V} becomes below 28.2 and above 30.3, indicating that the Fermi level (E{sub F}) overlaps with the valence or conduction band edges of half-metallic gap at N{sub V} ∼ 28.2 or 30.3, respectively. We also find out that the magnitude of negative AMR ratio gradually increases with shifting of E{sub F} away from the gap edges, and there is a clear positive correlation between the magnitude of negative AMR ratio and magnetoresistive output of the giant magnetoresistive devices using the Heusler compounds. This indicates that AMR can be used as a facile way to optimize a composition of half-metallic Heusler compounds having a high spin-polarization at room temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Quantitative analysis of time-resolved microwave conductivity data

Flash-photolysis time-resolved microwave conductivity (fp-TRMC) is a versatile, highly sensitive technique for studying the complex photoconductivity of solution, solid, and gas-phase samples. The purpose of this paper is to provide a standard reference work for experimentalists interested in using microwave conductivity methods to study functional electronic materials, describing how to conduct and calibrate these experiments in order to obtain quantitative results. The main focus of the paper is on calculating the calibration factor, K, which is used to connect the measured change in microwave power absorption to the conductance of the sample. We describe the standard analytical formulae that have been used in the past, and compare them to numerical simulations. This comparison shows that the most widely used analytical analysis of fp-TRMC data systematically under-estimates the transient conductivity by ~60%. We suggest a more accurate semi-empirical way of calibrating these experiments. However, we emphasize that the full numerical calculation is necessary to quantify both transient and steady-state conductance for arbitrary sample properties and geometry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Spatially-Resolved Proteomics: Rapid Quantitative Analysis of Laser Capture Microdissected Alveolar Tissue Samples

Global proteomics approaches allow characterization of whole tissue lysates to an impressive depth. However, it is now increasingly recognized that to better understand the complexity of multicellular organisms, global protein profiling of specific spatially defined regions/substructures of tissues (i.e. spatially-resolved proteomics) is essential. Laser capture microdissection (LCM) enables microscopic isolation of defined regions of tissues preserving crucial spatial information. However, current proteomics workflows entail several manual sample preparation steps and are challenged by the microscopic mass-limited samples generated by LCM, and that impact measurement robustness, quantification, and throughput. Here, we coupled LCM with a fully automated sample preparation workflow that with a single manual step allows: protein extraction, tryptic digestion, peptide cleanup and LC-MS/MS analysis of proteomes from microdissected tissues. Benchmarking against the current state of the art in ultrasensitive global proteomic analysis, our approach demonstrated significant improvements in quantification and throughput. Using our LCM-SNaPP proteomics approach, we characterized to a depth of more than 3,400 proteins, the ontogeny of protein changes during normal lung development in laser capture microdissected alveolar tissue containing ~4,000 cells per sample. Importantly, the data revealed quantitative changes for 350 low abundance transcription factors and signaling molecules, confirming earlier transcript-level observations and defining seven modules of coordinated transcription factor/signaling molecule expression patterns, suggesting that a complex network of temporal regulatory control directs normal lung development with epigenetic regulation fine-tuning pre-natal developmental processes. Furthermore, our LCM-proteomics approach facilitates efficient, spatially-resolved, ultrasensitive global proteomics analyses in high-throughput that will be enabling for several clinical and biological applications.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Quantitative Analysis of Electrochemical and Electrode Stability with Low Self-Discharge Lithium-Sulfur Batteries

The viability of employing high-capacity sulfur cathodes in building high-energy-density lithium-sulfur batteries is limited by rapid self-discharge, short shelf life, and severe structural degradation during cell resting (static instability). Unfortunately, the static instability has largely been ignored in the literature. Here, we present in this letter a long-term self-discharge study by quantitatively analyzing the control lithium-sulfur batteries with a conventional cathode configuration, which provides meaningful insights into the cathode failure mechanisms during resting. Utilizing the understanding obtained with the control cells, we design and present low self-discharge (LSD) lithium-sulfur batteries for investigating the long-term self-discharge effect and electrode stability.

25 ENERGY STORAGE↗
DOE OSTI2022

Quantitative analysis of Cu XANES spectra using linear combination fitting of binary mixtures simulated by FEFF9

We report x-ray absorption near edge structure (XANES) is a powerful tool to probe the fingerprint of local structures, and when coupled with X-ray microscopy, the small spot size enables one to probe very specific regions of interest in a device or material, e.g. interfaces/bulk, different grains, good/bad electrical areas. In this work, we investigate the use of linear combination fitting (LCF) of XANES spectra for the particular case of Cu doping in CdTe. We show that the experimental data seem to be accurately represented by standards of Cu 2 Te and its substoichiometric counterpart, Cu 1.43 Te. We use Cu in CdTe as a case study to evaluate the accuracy of linear combination fitting using simulated standards, given that experimental standards for certain phases (e.g. Cu 1.43 Te) or defect structures (e.g. vacancies) cannot be readily obtained. We discuss how spectral features of the FEFF9-simulated standards, fitting ranges, and noise levels all dictate the accuracy of this type of analysis. We show that the greater the spectral difference between the two standards, the better the LCF is able to differentiate between the two structures and to tolerate experimental noise. Finally, we estimate the error of the fitted weights for different spectral features and noise levels and propose a framework to study local structures semi-quantitatively by using binary mixtures of FEFF9-simulated standards.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Quantitative Analysis of the Effects of Natural and Human Factors on a Hydrological System in Zhangweinan Canal Basin

Drought is a water deficit state caused by large-scale climate change that cannot be avoided by a water resource management system. Water scarcity refers to the unsustainable utilization of water resources over a long time, which is the result of water management policies. However, water deficits caused by drought and water scarcity often occur simultaneously and are indistinguishable. This study proposes a model-based simulation framework that can quantitatively distinguish natural factors (drought) from human factors (water scarcity) in a hydrological system. The simulation was applied to the Zhangweinan Canal Basin, based on the runoff sequences from 1950 to 2004. The results show that the runoff curve number, soil depth, soil available water, soil evaporation compensation coefficient, base runoff α coefficient and the maximum canopy interception have the highest sensitivity to runoff, and that the calibrated and validated SWAT model can effectively simulate the runoff process in the Zhangweinan Canal Basin and similar areas. Abrupt changes in human activities in 1975 and water scarcity led to the disappearance of the summer peak runoff period in both wet and dry years. Human factors are the main reason for the change in the hydrological system in the study area; the runoff loss caused by human factors is four times that caused by natural factors according to the proposed variable threshold. This study proposes a model-based simulation framework that can help water resource managers to distinguish the effects of drought and water scarcity in water-stressed areas and adjust management accordingly.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Quantitative analysis of doped/undoped ZnO nanomaterials using laser assisted atom probe tomography: Influence of the analysis parameters

In the last decade, atom probe tomography has become a powerful tool to investigate semiconductor and insulator nanomaterials in microelectronics, spintronics, and optoelectronics. In this paper, we report an investigation of zinc oxide nanostructures using atom probe tomography. We observed that the chemical composition of zinc oxide is strongly dependent on the analysis parameters used for atom probe experiments. It was observed that at high laser pulse energies, the electric field at the specimen surface is strongly dependent on the crystallographic directions. This dependence leads to an inhomogeneous field evaporation of the surface atoms, resulting in unreliable measurements. We show that the laser pulse energy has to be well tuned to obtain reliable quantitative chemical composition measurements of undoped and doped ZnO nanomaterials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Application of voltammetry for quantitative analysis of chromium in molten 2LiF-BeF 2 (FLiBe) salt

The electrochemical behavior of Cr 2+ in molten 2LiF-BeF 2 (FLiBe) salt at temperatures between 500 °C and 700 °C was studied using cyclic voltammetry (CV) and linear sweep voltammetry (LSV). LSV has been used to establish a stable reference electrode with the Be/Be 2+ couple. The ability to distinguish between common corrosion products, such as Cr2+ and Fe 2+ , with CV has been demonstrated using the Be/Be 2+ reference reaction. Methods for high-precision, in-situ quantitative measurement of Cr 2+ concentration are developed. Models for predicting the concentration of Cr 2+ and its diffusion coefficient are approximated by relating faradaic cathodic peak current density to Cr 2+ concentration at 600 °C and 650 °C. Here this study provides the basis for the development of a sensor for on-line quantification of corrosion products that improves understanding of materials performance in the molten FLiBe salt.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

TRACKING CORONAL FEATURES FROM THE LOW CORONA TO EARTH: A QUANTITATIVE ANALYSIS OF THE 2008 DECEMBER 12 CORONAL MASS EJECTION

We have tracked a slow magnetic cloud associated coronal mass ejection (CME) continuously from its origin as a flux rope structure in the low solar corona over a four-day passage to impact with spacecraft located near Earth. Combining measurements from the STEREO, ACE, and Wind space missions, we are able to follow major elements with enough specificity to relate pre-CME coronal structure in the low corona to the corresponding elements seen in the near-Earth in situ data. Combining extreme ultraviolet imaging, quantitative Thomson scattering data throughout the flight of the CME, and ''ground-truth'' in situ measurements, we: (1) identify the plasma observed by ACE and Wind with specific features in the solar corona (a segment of a long flux rope); (2) determine the onset mechanism of the CME (destabilization of a filament channel following flare reconnection, coupled with the mass draining instability) and demonstrate that it is consistent with the in situ measurements; (3) identify the origin of different layers of the sheath material around the central magnetic cloud (closed field lifted from the base of the corona, closed field entrained during passage through the corona, and solar wind entrained by the front of the CME); (4) measure mass accretion of the system via snowplow effects in the solar wind as the CME crossed the solar system; and (5) quantify the kinetic energy budget of the system in interplanetary space, and determine that it is consistent with no long-term driving force on the CME.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Color as a tool for quantitative analysis of heterogeneous polymer degradation

Polymers are widely used industry, but degrade due to environmental conditions, such as elevated temperature or radiation. The degradation of polymers is dominated oxidation in oxygenated environments. Such oxidation is commonly referred to as thermal-oxidation or photo-oxidation and in many situations is heterogeneous through thickness of the polymer. While heterogeneous oxidation of polymers is a common phenomenon, the effect on the lifetime of polymers is not well understood as methods to evaluate such oxidation are time consuming and challenging to implement. Here we show a novel method for quantitative evaluation of heterogeneous oxidation in polymers using a fast and accurate color approach. The proposed color approach was observed to improve the efficiency of obtaining heterogenous oxidation profiles in half the time of common approaches, such as indention or Fourier transform infrared spectroscopy. Furthermore, the method was found to produce trends similar to that observed using common approaches and the applicability of the method was verified by mapping oxygen concentration through thickness using energy dispersive X-ray spectroscopy. Lastly, the utility of the proposed method was demonstrated through the generation of an oxidation design space, which is envisioned to assist with designing experiments towards estimation of polymer lifetime. Finally, we anticipate this work to be a starting point for further evaluation of heterogeneous oxidation in polymers using optical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗