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Energy Dispersive Spectrometry and Quantitative Analysis Short Course. Introduction to X-ray Energy Dispersive Spectrometry and Quantitative Analysis
This course will cover practical applications of the energy-dispersive spectrometer (EDS) to x-ray microanalysis. Topics covered will include detector technology, advances in pulse processing, resolution and performance monitoring, detector modeling, peak deconvolution and fitting, qualitative and quantitative analysis, compositional mapping, and standards. An emphasis will be placed on use of the EDS for quantitative analysis, with discussion of typical problems encountered in the analysis of a wide range of materials and sample geometries.
Direct method for the quantitative analysis of surface contamination on ultra-low background materials from exposure to dust
Not Available
Quantitative Analysis of the Morphology of {101} and {001} Faceted Anatase TiO 2 Nanocrystals and Its Implication on Photocatalytic Activity
The atomistic structure and morphology (shape and size) of nanomaterials have strong influences on their physical and chemical properties. However, many characterization techniques focus exclusively on one length-scale regime or another when developing quantitative morphology/structural models. In this article, we demonstrate that powder X-ray diffraction and neutron pair distribution function (PDF) can be used to obtain accurate average morphology and atomistic structure of {001} and {101} faceted anatase TiO 2 nanocrystals based on differential evolution refinements using Debye scattering equation calculations. It is also demonstrated that the morphology polydispersity of TiO 2 nanocrystals can be effectively obtained from the diffraction data via a numerical refinement routine. The morphology refinement results are in good agreement with those from transmission electron microscopy and the modeling of small angle neutron scattering data. This method is successfully used to quantify the facet-specified photocatalytic hydrogen evolution activity of anatase TiO 2 nanocrystals with different {001} to {101} ratios. It is found that the sample with an intermediate amount of both {001} and {101} facets shows the best photocatalytic hydrogen evolution reaction (HER) activity. It is expected that the simultaneous structure and morphology refinement technique can be generally used to study the relationship between morphology and functionality of nanomaterials.
Quantitative Analysis Guidance in Safety Software Validation
Quantitative analysis in software development has been a challenging topic over the years in safety software. While qualitative processes for vigorous safety software verification and validation (V and V) have been provided through standard such as IEEE 1012, quantitative analysis for V and V tasks such as correctness, completeness or accuracy evaluation have not been formally defined. In practice, there are quantitative analyses in terms of using software metrics. Many of these software metrics are useful in analyzing the test results. Some of them are used for providing guidance in code evaluation activities e.g. numbers of line of codes not exceeding certain limits, recursive calls are not allowed, etc. However, few can be used for providing quantitative analysis guidance for the V and V tasks such as completeness evaluation. AREVA Federal Services (AFS) has provided services for many nuclear projects in US. Through compliance with IEEE 1012, AFS V and V processes have provided vigorous qualitative processes ensuring quality level of the software products used in the project meeting the required nuclear software level. In addition, quantitative analysis is developed to provide structured validation framework ensuring 'zero defect' in the software products. This paper describes some aspects of the quantitative approaches using a sample safety application. (authors)
Raman Spectroscopy Coupled with Chemometric Analysis for Speciation and Quantitative Analysis of Aqueous Phosphoric Acid Systems
Complex chemical systems that exhibit varied and matrix-dependent speciation are notoriously difficult to monitor and characterize on-line and in real-time. Optical spectroscopy is an ideal tool for in situ characterization of chemical species that can enable quantification as well as species identification. Chemometric modeling, a multivariate method, has been successfully paired with optical spectroscopy to enable measurement of analyte concentrations even in complex solutions where univariate methods such as Beer’s law analysis fail. Here, Raman spectroscopy is used to quantify the concentration of phosphoric acid and its three deprotonated forms during a titration. In this system, univariate approaches would be difficult to apply due to multiple species being present simultaneously within the solution as pH is varied. Locally Weighted Regression (LWR) modeling was used to determine phosphate concentration from spectral signature. LWR results, in tandem with Multivariate Curve Resolution modeling, provide direct measurement of the concentration of each phosphate species using only the Raman signal. Furthermore, results are presented within the context of fundamental solution chemistry, including Pitzer equations to compensate for activity coefficients and non-idealities associated with high ionic strength systems.
Hydrocarbons on Phoebe, Iapetus, and Hyperion: Quantitative Analysis
We present a quantitative analysis of the hydrocarbon spectral bands measured on three of Saturn's satellites, Phoebe, Iaperus, and Hyperion. These bands, measured with the Cassini Visible-Infrared Mapping Spectrometer on close fly-by's of these satellites, are the C-H stretching modes of aromatic hydrocarbons at approximately 3.28 micrometers (approximately 3050 per centimeter), and the are four blended bands of aliphatic -CH2- and -CH3 in the range approximately 3.36-3.52 micrometers (approximately 2980- 2840 per centimeter) bably indicating the presence of polycyclic aromatic hydrocarbons (PAH), is unusually strong in comparison to the aliphatic bands, resulting in a unique signarure among Solar System bodies measured so far, and as such offers a means of comparison among the three satellites. The ratio of the C-H bands in aromatic molecules to those in aliphatic molecules in the surface materials of Phoebe, NAro:NAliph approximately 24; for Hyperion the value is approximately 12, while laperus shows an intermediate value. In view of the trend of the evolution (dehydrogenation by heat and radiation) of aliphatic complexes toward more compact molecules and eventually to aromatics, the relative abundances of aliphatic -CH2- and -CH3- is an indication of the lengths of the molecular chain structures, hence the degree of modification of the original material. We derive CH2:CH3 approximately 2.2 in the spectrum of low-albedo material on laperus; this value is the same within measurement errors to the ratio in the diffuse interstellar medium. The similarity in the spectral signatures of the three satellites, plus the apparent weak trend of aromatic/aliphatic abundance from Phoebe to Hyperion, is consistent with, and effectively confirms that the source of the hydrocarbon-bearing material is Phoebe, and that the appearance of that material on the other two satellites arises from the deposition of the inward-spiraling dust that populates the Phoebe ring.
Assessment of acute myocarditis by cardiac magnetic resonance imaging: Comparison of qualitative and quantitative analysis methods
Background: To compare cardiac magnetic resonance (CMR) qualitative and quantitative analysis methods for the noninvasive assessment of myocardial inflammation in patients with suspected acute myocarditis (AM). Methods: A total of 61 patients with suspected AM underwent coronary angiography and CMR. Qualitative analysis was performed applying Lake-Louise Criteria (LLC), followed by quantitative analysis based on the evaluation of edema ratio (ER) and global relative enhancement (RE). Diagnostic performance was assessed for each method by measuring the area under the curves (AUC) of the receiver operating characteristic analyses. The final diagnosis of AM was based on symptoms and signs suggestive of cardiac disease, evidence of myocardial injury as defined by electrocardiogram changes, elevated troponin I, exclusion of coronary artery disease by coronary angiography, and clinical and echocardiographic follow-up at 3 months after admission to the chest pain unit. Results: In all patients, coronary angiography did not show significant coronary artery stenosis. Troponin I levels and creatine kinase were higher in patients with AM compared to those without (both P < .001). There were no significant differences among LLC, T2-weighted short inversion time inversion recovery (STIR) sequences, early (EGE), and late (LGE) gadolinium-enhancement sequences for diagnosis of AM. The AUC for qualitative (T2-weighted STIR 0.92, EGE 0.87 and LGE 0.88) and quantitative (ER 0.89 and global RE 0.80) analyses were also similar. Conclusions: Qualitative and quantitative CMR analysis methods show similar diagnostic accuracy for the diagnosis of AM. These findings suggest that a simplified approach using a shortened CMR protocol including only T2-weighted STIR sequences might be useful to rule out AM in patients with acute coronary syndrome and normal coronary angiography.
A quantitative analysis of the F18 flight control system
This paper presents an informal quantitative analysis of the F18 flight control system (FCS). The analysis technique combines a coverage model with a fault tree model. To demonstrate the method's extensive capabilities, we replace the fault tree with a digraph model of the F18 FCS, the only model available to us. The substitution shows that while digraphs have primarily been used for qualitative analysis, they can also be used for quantitative analysis. Based on our assumptions and the particular failure rates assigned to the F18 FCS components, we show that coverage does have a significant effect on the system's reliability and thus it is important to include coverage in the reliability analysis.
Some aspects of quantitative analysis of rocks by x-ray diffraction
Quantitative analysis of rocks by X-ray diffraction - petrology
Calcium fluoride as a dominating matrix for quantitative analysis by laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS): A feasibility study
Here, calcium fluoride formed by the reaction between ammonium bifluoride and calcium chloride was investigated as a dominating matrix for quantitative analysis by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). Transformation from a solid sample to the calcium fluoride-based matrix permitted quantitative analysis based on calibration standards made from elemental standards. A low abundance stable calcium isotope, i.e. 44 Ca + , was monitored as the internal standard for quantitative analysis by LA-ICP-MS. Correlation coefficient factors for multiple elements were obtained with values over 0.999. The results for multiple elements in a certified reference material of soil (NIST SRM 2710a) agreed with the certified values in the range of expanded uncertainty, indicating the present method was valid for quantitation of elements in solid samples.
Quantitative analysis of planetary reflectance spectra with principal components analysis
A technique is presented for quantitative analysis of planetary reflectance spectra as mixtures of particles on microscopic and macroscopic scales using principal components analysis. This technique allows for determination of the endmembers being mixed, their abundance, and the scale of mixing, as well as other physical parameters. Eighteen lunar telescopic reflectance spectra of the Copernicus crater region, from 600 nm to 1800 nm in wavelength, are modeled in terms of five likely endmembers: mare basalt, mature mare soil, anorthosite, mature highland soil, and clinopyroxene. These endmembers were chosen from a similar analysis of 92 lunar soil and rock samples. The models fit the data to within 2 percent rms. It is found that the goodness of fit is marginally better for intimate mixing over macroscopic mixing.
Early Assessment of Treatment Responses During Radiation Therapy for Lung Cancer Using Quantitative Analysis of Daily Computed Tomography
Purpose: To investigate early tumor and normal tissue responses during the course of radiation therapy (RT) for lung cancer using quantitative analysis of daily computed tomography (CT) scans. Methods and Materials: Daily diagnostic-quality CT scans acquired using CT-on-rails during CT-guided RT for 20 lung cancer patients were quantitatively analyzed. On each daily CT set, the contours of the gross tumor volume (GTV) and lungs were generated and the radiation dose delivered was reconstructed. The changes in CT image intensity (Hounsfield unit [HU]) features in the GTV and the multiple normal lung tissue shells around the GTV were extracted from the daily CT scans. The associations between the changes in the mean HUs, GTV, accumulated dose during RT delivery, and patient survival rate were analyzed. Results: During the RT course, radiation can induce substantial changes in the HU histogram features on the daily CT scans, with reductions in the GTV mean HUs (dH) observed in the range of 11 to 48 HU (median 30). The dH is statistically related to the accumulated GTV dose (R{sup 2} > 0.99) and correlates weakly with the change in GTV (R{sup 2} = 0.3481). Statistically significant increases in patient survival rates (P=.038) were observed for patients with a higher dH in the GTV. In the normal lung, the 4 regions proximal to the GTV showed statistically significant (P<.001) HU reductions from the first to last fraction. Conclusion: Quantitative analysis of the daily CT scans indicated that the mean HUs in lung tumor and surrounding normal tissue were reduced during RT delivery. This reduction was observed in the early phase of the treatment, is patient specific, and correlated with the delivered dose. A larger HU reduction in the GTV correlated significantly with greater patient survival. The changes in daily CT features, such as the mean HU, can be used for early assessment of the radiation response during RT delivery for lung cancer.
Quantitative analysis of liquid oxygen-liquid hydrogen combustion products
Quantitative analysis of liquid oxygen-liquid hydrogen combustion products using spectrometer
Quantitative Analysis of Ca, Mg, and K in the Roots of Angelica pubescens f. biserrata by Laser-Induced Breakdown Spectroscopy Combined with Artificial Neural Networks
Laser-induced breakdown spectroscopy has been applied for the quantitative analysis of Ca, Mg, and K in the roots of Angelica pubescens Maxim. f. biserrata Shan et Yuan used in traditional Chinese medicine. Ca II 317.993 nm, Mg I 517.268 nm, and K I 769.896 nm spectral lines have been chosen to set up calibration models for the analysis using the external standard and artificial neural network methods. The linear correlation coefficients of the predicted concentrations versus the standard concentrations of six samples determined by the artificial neural network method are 0.9896, 0.9945, and 0.9911 for Ca, Mg, and K, respectively, which are better than for the external standard method. The artificial neural network method also gives better performance comparing with the external standard method for the average and maximum relative errors, average relative standard deviations, and most maximum relative standard deviations of the predicted concentrations of Ca, Mg, and K in the six samples. Finally, it is proved that the artificial neural network method gives better performance compared to the external standard method for the quantitative analysis of Ca, Mg, and K in the roots of Angelica pubescens.
Quantitative analysis of changes in antioxidant in crosslinked polyethylene (XLPE) cable insulation material exposed to heat and gamma radiation
Quantitative analysis of the antioxidant poly(1,2-dihydro-2,2,4-trimethylquinoline) (pTMQ) was conducted on pristine, thermally-aged, and gamma radiation-aged commercial cross-linked polyethylene-(XLPE-)based cable insulation material aged at temperatures 60, 90, and 115?°C, with gamma radiation exposure dose rates of 0, 120, 300, and 540?Gy/h for 15 days. The quantification of antioxidant was performed using pyrolysis gas chromatography-mass spectrometry (Py-GCMS). Oxidation induction time (OIT) was measured using differential scanning calorimetry (DSC) and correlation was made between the quantified depletion of antioxidant and measured OIT. It was observed that, in the case of isothermal aging, the quantity of antioxidant and OIT decreased with increasing gamma radiation dose. In the case of samples exposed to the same gamma radiation dose, the quantity of antioxidant and OIT were observed to decrease with increasing aging temperature. Depletion in the quantity of antioxidant relative to that in the pristine material ranged from 7 to 93% for differently aged samples. The measured decline in OIT ranged from 0 to 80%. Change in the quantity of antioxidant in the material was observed to follow the same trend as the change in OIT when the samples were aged under various conditions. The observations are explained in terms of the reaction between the antioxidant and free radicals created during exposure of the samples to thermal and gamma radiation.
Qualitative and quantitative analysis of mixtures of compounds containing both hydrogen and deuterium
Method allows qualitative and quantitative analysis of mixtures of partially deuterated compounds. Nuclear magnetic resonance spectroscopy determines location and amount of deuterium in organic compounds but not fully deuterated compounds. Mass spectroscopy can detect fully deuterated species but not the location.