Uncertainty evaluation of nuclear reaction model parameters using integral and microscopic measurements. Covariances evaluation with CONRAD code

NASA Astrophysics Data System (ADS)

de Saint Jean, C.; Habert, B.; Archier, P.; Noguere, G.; Bernard, D.; Tommasi, J.; Blaise, P.

2010-10-01

In the [eV;MeV] energy range, modelling of the neutron induced reactions are based on nuclear reaction models having parameters. Estimation of co-variances on cross sections or on nuclear reaction model parameters is a recurrent puzzle in nuclear data evaluation. Major breakthroughs were asked by nuclear reactor physicists to assess proper uncertainties to be used in applications. In this paper, mathematical methods developped in the CONRAD code[2] will be presented to explain the treatment of all type of uncertainties, including experimental ones (statistical and systematic) and propagate them to nuclear reaction model parameters or cross sections. Marginalization procedure will thus be exposed using analytical or Monte-Carlo solutions. Furthermore, one major drawback found by reactor physicist is the fact that integral or analytical experiments (reactor mock-up or simple integral experiment, e.g. ICSBEP, …) were not taken into account sufficiently soon in the evaluation process to remove discrepancies. In this paper, we will describe a mathematical framework to take into account properly this kind of information.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Byerly, Benjamin L.; Stanley, Floyd; Spencer, Khal

In our study, a certified plutonium metal reference material (CRM 126) with a known production history is examined using analytical methods that are commonly employed in nuclear forensics for provenancing and attribution. Moreover, the measured plutonium isotopic composition and actinide assay are consistent with values reported on the reference material certificate. Model ages from U/Pu and Am/Pu chronometers agree with the documented production timeline. Finally, these results confirm the utility of these analytical methods and highlight the importance of a holistic approach for forensic study of unknown materials.

Resonance-state properties from a phase shift analysis with the S -matrix pole method and the effective-range method

NASA Astrophysics Data System (ADS)

Irgaziev, B. F.; Orlov, Yu. V.

2015-02-01

Asymptotic normalization coefficients (ANCs) are fundamental nuclear constants playing an important role in nuclear physics and astrophysics. We derive a new useful relationship between ANCs of the Gamow radial wave function and the renormalized (due to the Coulomb interaction) Coulomb-nuclear partial scattering amplitude. We use an analytical approximation in the form of a series for the nonresonant part of the phase shift which can be analytically continued to the point of an isolated resonance pole in the complex plane of the momentum. Earlier, this method which we call the S -matrix pole method was used by us to find the resonance pole energy. We find the corresponding fitting parameters for the 5He,5Li , and 16O concrete resonance states. Additionally, based on the theory of the effective range, we calculate the parameters of the p3 /2 and p1 /2 resonance states of the nuclei 5He and 5Li and compare them with the results obtained by the S -matrix pole method. ANC values are found which can be used to calculate the reaction rate through the 16O resonances which lie slightly above the threshold for the α 12C channel.

Determination of Important Nuclear Fragmentation Processes for Human Space Radiation Protection

NASA Technical Reports Server (NTRS)

Lin, Zi-Wei

2007-01-01

We present a semi-analytical method to determine which partial cross sections of nuclear fragmentations most affect the shielded dose equivalent due to exposure to galactic cosmic rays. The cross sections thus determined will require more theoretical and/or experimental studies in order for us to better predict, reduce and mitigate the radiation exposure in human space explorations.

Nuclear magnetic resonance signal dynamics of liquids in the presence of distant dipolar fields, revisited

PubMed Central

Barros, Wilson; Gochberg, Daniel F.; Gore, John C.

2009-01-01

The description of the nuclear magnetic resonance magnetization dynamics in the presence of long-range dipolar interactions, which is based upon approximate solutions of Bloch–Torrey equations including the effect of a distant dipolar field, has been revisited. New experiments show that approximate analytic solutions have a broader regime of validity as well as dependencies on pulse-sequence parameters that seem to have been overlooked. In order to explain these experimental results, we developed a new method consisting of calculating the magnetization via an iterative formalism where both diffusion and distant dipolar field contributions are treated as integral operators incorporated into the Bloch–Torrey equations. The solution can be organized as a perturbative series, whereby access to higher order terms allows one to set better boundaries on validity regimes for analytic first-order approximations. Finally, the method legitimizes the use of simple analytic first-order approximations under less demanding experimental conditions, it predicts new pulse-sequence parameter dependencies for the range of validity, and clarifies weak points in previous calculations. PMID:19425789

Implementation of radiation shielding calculation methods. Volume 2: Seminar/Workshop notes

NASA Technical Reports Server (NTRS)

Capo, M. A.; Disney, R. K.

1971-01-01

Detailed descriptions are presented of the input data for each of the MSFC computer codes applied to the analysis of a realistic nuclear propelled vehicle. The analytical techniques employed include cross section data, preparation, one and two dimensional discrete ordinates transport, point kernel, and single scatter methods.

Forensic investigation of plutonium metal: a case study of CRM 126

DOE PAGES

Byerly, Benjamin L.; Stanley, Floyd; Spencer, Khal; ...

2016-11-01

In our study, a certified plutonium metal reference material (CRM 126) with a known production history is examined using analytical methods that are commonly employed in nuclear forensics for provenancing and attribution. Moreover, the measured plutonium isotopic composition and actinide assay are consistent with values reported on the reference material certificate. Model ages from U/Pu and Am/Pu chronometers agree with the documented production timeline. Finally, these results confirm the utility of these analytical methods and highlight the importance of a holistic approach for forensic study of unknown materials.

Analytical RISM-MP2 free energy gradient method: Application to the Schlenk equilibrium of Grignard reagent

NASA Astrophysics Data System (ADS)

Mori, Toshifumi; Kato, Shigeki

2007-03-01

We present a method to evaluate the analytical gradient of reference interaction site model Møller-Plesset second order free energy with respect to solute nuclear coordinates. It is applied to calculate the geometries and energies in the equilibria of the Grignard reagent (CH 3MgCl) in dimethylether solvent. The Mg-Mg and Mg-Cl distances as well as the binding energies of solvents are largely affected by the dynamical electron correlation. The solvent effect on the Schlenk equilibrium is examined.

Analytical Methods for Biomass Characterization during Pretreatment and Bioconversion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pu, Yunqiao; Meng, Xianzhi; Yoo, Chang Geun

2016-01-01

Lignocellulosic biomass has been introduced as a promising resource for alternative fuels and chemicals because of its abundance and complement for petroleum resources. Biomass is a complex biopolymer and its compositional and structural characteristics largely vary depending on its species as well as growth environments. Because of complexity and variety of biomass, understanding its physicochemical characteristics is a key for effective biomass utilization. Characterization of biomass does not only provide critical information of biomass during pretreatment and bioconversion, but also give valuable insights on how to utilize the biomass. For better understanding biomass characteristics, good grasp and proper selection ofmore » analytical methods are necessary. This chapter introduces existing analytical approaches that are widely employed for biomass characterization during biomass pretreatment and conversion process. Diverse analytical methods using Fourier transform infrared (FTIR) spectroscopy, gel permeation chromatography (GPC), and nuclear magnetic resonance (NMR) spectroscopy for biomass characterization are reviewed. In addition, biomass accessibility methods by analyzing surface properties of biomass are also summarized in this chapter.« less

An analytical approach to γ-ray self-shielding effects for radioactive bodies encountered nuclear decommissioning scenarios.

PubMed

Gamage, K A A; Joyce, M J

2011-10-01

A novel analytical approach is described that accounts for self-shielding of γ radiation in decommissioning scenarios. The approach is developed with plutonium-239, cobalt-60 and caesium-137 as examples; stainless steel and concrete have been chosen as the media for cobalt-60 and caesium-137, respectively. The analytical methods have been compared MCNPX 2.6.0 simulations. A simple, linear correction factor relates the analytical results and the simulated estimates. This has the potential to greatly simplify the estimation of self-shielding effects in decommissioning activities. Copyright © 2011 Elsevier Ltd. All rights reserved.

Nuclear analytical techniques in medicine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cesareo, R.

1988-01-01

This book acquaints one with the fundamental principles and the instrumentation relevant to analytical technique based on atomic and nuclear physics, as well as present and future biomedical applications. Besides providing a theoretical description of the physical phenomena, a large part of the book is devoted to applications in the medical and biological field, particularly in hematology, forensic medicine and environmental science. This volume reviews methods such as the possibility of carrying out rapid multi-element analysis of trace elements on biomedical samples, in vitro and in vivo, by XRF-analysis; the ability of the PIXE-microprobe to analyze in detail and tomore » map trace elements in fragments of biomedical samples or inside the cells; the potentiality of in vivo nuclear activation analysis for diagnostic purposes. Finally, techniques are described such as radiation scattering (elastic and inelastic scattering) and attenuation measurements which will undoubtedly see great development in the immediate future.« less

Electronic response to nuclear breathing mode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ludwig, Hendrik; Ruffini, Remo; ICRANet, University of Nice-Sophia Antipolis, 28 Av. de Valrose, 06103 Nice Cedex 2

2015-12-17

Based on our previous work on stationary oscillation modes of electrons around giant nuclei, we show how to treat a general driving force on the electron gas, such as the one generated by the breathing mode of the nucleus, by means of the spectral method. As an example we demonstrate this method for a system with Z = 10{sup 4} in β-equilibrium with the electrons compressed up to the nuclear radius. In this case the stationary modes can be obtained analytically, which allows for a very speedy numerical calculation of the final result.

Nuclear Forensic Science: Analysis of Nuclear Material Out of Regulatory Control

NASA Astrophysics Data System (ADS)

Kristo, Michael J.; Gaffney, Amy M.; Marks, Naomi; Knight, Kim; Cassata, William S.; Hutcheon, Ian D.

2016-06-01

Nuclear forensic science seeks to identify the origin of nuclear materials found outside regulatory control. It is increasingly recognized as an integral part of a robust nuclear security program. This review highlights areas of active, evolving research in nuclear forensics, with a focus on analytical techniques commonly employed in Earth and planetary sciences. Applications of nuclear forensics to uranium ore concentrates (UOCs) are discussed first. UOCs have become an attractive target for nuclear forensic researchers because of the richness in impurities compared to materials produced later in the fuel cycle. The development of chronometric methods for age dating nuclear materials is then discussed, with an emphasis on improvements in accuracy that have been gained from measurements of multiple radioisotopic systems. Finally, papers that report on casework are reviewed, to provide a window into current scientific practice.

Tracking of Nuclear Production using Indigenous Species: Final LDRD Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alam, Todd Michael; Alam, Mary Kathleen; McIntyre, Sarah K.

Our LDRD research project sought to develop an analytical method for detection of chemicals used in nuclear materials processing. Our approach is distinctly different than current research involving hardware-based sensors. By utilizing the response of indigenous species of plants and/or animals surrounding (or within) a nuclear processing facility, we propose tracking 'suspicious molecules' relevant to nuclear materials processing. As proof of concept, we have examined TBP, tributylphosphate, used in uranium enrichment as well as plutonium extraction from spent nuclear fuels. We will compare TBP to the TPP (triphenylphosphate) analog to determine the uniqueness of the metabonomic response. We show thatmore » there is a unique metabonomic response within our animal model to TBP. The TBP signature can further be delineated from that of TPP. We have also developed unique methods of instrumental transfer for metabonomic data sets.« less

The Importance of Three-Body Interactions in Molecular Dynamics Simulations of Water with the Fragment Molecular Orbital Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pruitt, Spencer R.; Nakata, Hiroya; Nagata, Takeshi

2016-04-12

The analytic first derivative with respect to nuclear coordinates is formulated and implemented in the framework of the three-body fragment molecular orbital (FMO) method. The gradient has been derived and implemented for restricted Hartree-Fock, second-order Møller-Plesset perturbation, and density functional theories. The importance of the three-body fully analytic gradient is illustrated through the failure of the two-body FMO method during molecular dynamics simulations of a small water cluster. The parallel implementation of the fragment molecular orbital method, its parallel efficiency, and its scalability on the Blue Gene/Q architecture up to 262,144 CPU cores, are also discussed.

Development of Impurity Profiling Methods Using Modern Analytical Techniques.

PubMed

Ramachandra, Bondigalla

2017-01-02

This review gives a brief introduction about the process- and product-related impurities and emphasizes on the development of novel analytical methods for their determination. It describes the application of modern analytical techniques, particularly the ultra-performance liquid chromatography (UPLC), liquid chromatography-mass spectrometry (LC-MS), high-resolution mass spectrometry (HRMS), gas chromatography-mass spectrometry (GC-MS) and high-performance thin layer chromatography (HPTLC). In addition to that, the application of nuclear magnetic resonance (NMR) spectroscopy was also discussed for the characterization of impurities and degradation products. The significance of the quality, efficacy and safety of drug substances/products, including the source of impurities, kinds of impurities, adverse effects by the presence of impurities, quality control of impurities, necessity for the development of impurity profiling methods, identification of impurities and regulatory aspects has been discussed. Other important aspects that have been discussed are forced degradation studies and the development of stability indicating assay methods.

Investigation of hydrogenation of toluene to methylcyclohexane in a trickle bed reactor by low-field nuclear magnetic resonance spectroscopy.

PubMed

Guthausen, Gisela; von Garnier, Agnes; Reimert, Rainer

2009-10-01

Low-field nuclear magnetic resonance (NMR) spectroscopy is applied to study the hydrogenation of toluene in a lab-scale reactor. A conventional benchtop NMR system was modified to achieve chemical shift resolution. After an off-line validity check of the approach, the reaction product is analyzed on-line during the process, applying chemometric data processing. The conversion of toluene to methylcyclohexane is compared with off-line gas chromatographic analysis. Both classic analytical and chemometric data processing was applied. As the results, which are obtained within a few tens of seconds, are equivalent within the experimental accuracy of both methods, low-field NMR spectroscopy was shown to provide an analytical tool for reaction characterization and immediate feedback.

Turbulence coefficients and stability studies for the coaxial flow or dissimiliar fluids. [gaseous core nuclear reactors

NASA Technical Reports Server (NTRS)

Weinstein, H.; Lavan, Z.

1975-01-01

Analytical investigations of fluid dynamics problems of relevance to the gaseous core nuclear reactor program are presented. The vortex type flow which appears in the nuclear light bulb concept is analyzed along with the fluid flow in the fuel inlet region for the coaxial flow gaseous core nuclear reactor concept. The development of numerical methods for the solution of the Navier-Stokes equations for appropriate geometries is extended to the case of rotating flows and almost completes the gas core program requirements in this area. The investigations demonstrate that the conceptual design of the coaxial flow reactor needs further development.

Temperature dependence of nuclear fission time in heavy-ion fusion-fission reactions

NASA Astrophysics Data System (ADS)

Eccles, Chris; Roy, Sanil; Gray, Thomas H.; Zaccone, Alessio

2017-11-01

Accounting for viscous damping within Fokker-Planck equations led to various improvements in the understanding and analysis of nuclear fission of heavy nuclei. Analytical expressions for the fission time are typically provided by Kramers' theory, which improves on the Bohr-Wheeler estimate by including the time scale related to many-particle dissipative processes along the deformation coordinate. However, Kramers' formula breaks down for sufficiently high excitation energies where Kramers' assumption of a large barrier no longer holds. Focusing on the overdamped regime for energies T >1 MeV, Kramers' theory should be replaced by a new analytical theory derived from the Ornstein-Uhlenbeck first-passage time method that is proposed here. The theory is applied to fission time data from fusion-fission experiments on 16O+208Pb→224Th . The proposed model provides an internally consistent one-parameter fitting of fission data with a constant nuclear friction as the fitting parameter, whereas Kramers' fitting requires a value of friction which falls out of the allowed range. The theory provides also an analytical formula that in future work can be easily implemented in numerical codes such as cascade or joanne4.

Porous Chromatographic Materials as Substrates for Preparing Synthetic Nuclear Explosion Debris Particles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harvey, Scott D.; Liezers, Martin; Antolick, Kathryn C.

2013-06-13

In this study, we investigated several porous chromatographic materials as synthetic substrates for preparing surrogate nuclear explosion debris particles. The resulting synthetic debris materials are of interest for use in developing analytical methods. Eighteen metals, including some of forensic interest, were loaded onto materials by immersing them in metal solutions (556 mg/L of each metal) to fill the pores, applying gentle heat (110°C) to drive off water, and then treating them at high temperatures (up to 800°C) in air to form less soluble metal species. High-boiling-point metals were uniformly loaded on spherical controlled-pore glass to emulate early fallout, whereas low-boiling-pointmore » metals were loaded on core-shell silica to represent coated particles formed later in the nuclear fallout-formation process. Analytical studies were applied to characterize solubility, material balance, and formation of recalcitrant species. Dissolution experiments indicated loading was 1.5 to 3 times higher than expected from the pore volume alone, a result attributed to surface coating. Analysis of load solutions before and after filling the material pores revealed that most metals were passively loaded; that is, solutions filled the pores without active metal discrimination. However, niobium and tin concentrations were lower in solutions after pore filling, and were found in elevated concentrations in the final products, indicating some metals were selectively loaded. High-temperature treatments caused reduced solubility of several metal species, and loss of some metals (rhenium and tellurium) because volatile species were formed. Sample preparation reproducibility was high (the inter-batch relative standard deviation was 7.8%, and the intra-batch relative standard deviation was 0.84%) indicating that this material is suitable for use as a working standard for analytical methods development. We anticipate future standardized radionuclide-loaded materials will find use in radioanalytical methods development and/or serve as a starting material for the synthesis of more complex forms of nuclear explosion debris (e.g., Trinitite).« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kristo, Michael J.; Gaffney, Amy M.; Marks, Naomi

Nuclear forensic science seeks to identify the origin of nuclear materials found outside regulatory control. It is increasingly recognized as an integral part of a robust nuclear security program. Our review highlights areas of active, evolving research in nuclear forensics, with a focus on analytical techniques commonly employed in Earth and planetary sciences. Applications of nuclear forensics to uranium ore concentrates (UOCs) are discussed first. UOCs have become an attractive target for nuclear forensic researchers because of the richness in impurities compared to materials produced later in the fuel cycle. Furthermore, the development of chronometric methods for age dating nuclearmore » materials is then discussed, with an emphasis on improvements in accuracy that have been gained from measurements of multiple radioisotopic systems. Finally, papers that report on casework are reviewed, to provide a window into current scientific practice.« less

Miniaturizing and automation of free acidity measurements for uranium (VI)-HNO3 solutions: Development of a new sequential injection analysis for a sustainable radio-analytical chemistry.

PubMed

Néri-Quiroz, José; Canto, Fabrice; Guillerme, Laurent; Couston, Laurent; Magnaldo, Alastair; Dugas, Vincent

2016-10-01

A miniaturized and automated approach for the determination of free acidity in solutions containing uranium (VI) is presented. The measurement technique is based on the concept of sequential injection analysis with on-line spectroscopic detection. The proposed methodology relies on the complexation and alkalimetric titration of nitric acid using a pH 5.6 sodium oxalate solution. The titration process is followed by UV/VIS detection at 650nm thanks to addition of Congo red as universal pH indicator. Mixing sequence as well as method validity was investigated by numerical simulation. This new analytical design allows fast (2.3min), reliable and accurate free acidity determination of low volume samples (10µL) containing uranium/[H(+)] moles ratio of 1:3 with relative standard deviation of <7.0% (n=11). The linearity range of the free nitric acid measurement is excellent up to 2.77molL(-1) with a correlation coefficient (R(2)) of 0.995. The method is specific, presence of actinide ions up to 0.54molL(-1) does not interfere on the determination of free nitric acid. In addition to automation, the developed sequential injection analysis method greatly improves the standard off-line oxalate complexation and alkalimetric titration method by reducing thousand fold the required sample volume, forty times the nuclear waste per analysis as well as the analysis time by eight fold. These analytical parameters are important especially in nuclear-related applications to improve laboratory safety, personnel exposure to radioactive samples and to drastically reduce environmental impacts or analytical radioactive waste. Copyright © 2016 Elsevier B.V. All rights reserved.

Nuclear Forensic Science: Analysis of Nuclear Material Out of Regulatory Control

DOE PAGES

Kristo, Michael J.; Gaffney, Amy M.; Marks, Naomi; ...

2016-05-11

Nuclear forensic science seeks to identify the origin of nuclear materials found outside regulatory control. It is increasingly recognized as an integral part of a robust nuclear security program. Our review highlights areas of active, evolving research in nuclear forensics, with a focus on analytical techniques commonly employed in Earth and planetary sciences. Applications of nuclear forensics to uranium ore concentrates (UOCs) are discussed first. UOCs have become an attractive target for nuclear forensic researchers because of the richness in impurities compared to materials produced later in the fuel cycle. Furthermore, the development of chronometric methods for age dating nuclearmore » materials is then discussed, with an emphasis on improvements in accuracy that have been gained from measurements of multiple radioisotopic systems. Finally, papers that report on casework are reviewed, to provide a window into current scientific practice.« less

Application of the backward extrapolation method to pulsed neutron sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Talamo, Alberto; Gohar, Yousry

We report particle detectors operated in pulse mode are subjected to the dead-time effect. When the average of the detector counts is constant over time, correcting for the dead-time effect is simple and can be accomplished by analytical formulas. However, when the average of the detector counts changes over time it is more difficult to take into account the dead-time effect. When a subcritical nuclear assembly is driven by a pulsed neutron source, simple analytical formulas cannot be applied to the measured detector counts to correct for the dead-time effect because of the sharp change of the detector counts overmore » time. This work addresses this issue by using the backward extrapolation method. The latter can be applied not only to a continuous (e.g. californium) external neutron source but also to a pulsed external neutron source (e.g. by a particle accelerator) driving a subcritical nuclear assembly. Finally, the backward extrapolation method allows to obtain from the measured detector counts both the dead-time value and the real detector counts.« less

Application of the backward extrapolation method to pulsed neutron sources

DOE PAGES

Talamo, Alberto; Gohar, Yousry

2017-09-23

We report particle detectors operated in pulse mode are subjected to the dead-time effect. When the average of the detector counts is constant over time, correcting for the dead-time effect is simple and can be accomplished by analytical formulas. However, when the average of the detector counts changes over time it is more difficult to take into account the dead-time effect. When a subcritical nuclear assembly is driven by a pulsed neutron source, simple analytical formulas cannot be applied to the measured detector counts to correct for the dead-time effect because of the sharp change of the detector counts overmore » time. This work addresses this issue by using the backward extrapolation method. The latter can be applied not only to a continuous (e.g. californium) external neutron source but also to a pulsed external neutron source (e.g. by a particle accelerator) driving a subcritical nuclear assembly. Finally, the backward extrapolation method allows to obtain from the measured detector counts both the dead-time value and the real detector counts.« less

Analytical and Radiochemistry for Nuclear Forensics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Steiner, Robert Ernest; Dry, Donald E.; Kinman, William Scott

Information about nonproliferation nuclear forensics, activities in forensics at Los Alamos National Laboratory, radio analytical work at LANL, radiochemical characterization capabilities, bulk chemical and materials analysis capabilities, and future interests in forensics interactions.

Thermal Analysis of a Nuclear Waste Repository in Argillite Host Rock

NASA Astrophysics Data System (ADS)

Hadgu, T.; Gomez, S. P.; Matteo, E. N.

2017-12-01

Disposal of high-level nuclear waste in a geological repository requires analysis of heat distribution as a result of decay heat. Such an analysis supports design of repository layout to define repository footprint as well as provide information of importance to overall design. The analysis is also used in the study of potential migration of radionuclides to the accessible environment. In this study, thermal analysis for high-level waste and spent nuclear fuel in a generic repository in argillite host rock is presented. The thermal analysis utilized both semi-analytical and numerical modeling in the near field of a repository. The semi-analytical method looks at heat transport by conduction in the repository and surroundings. The results of the simulation method are temperature histories at selected radial distances from the waste package. A 3-D thermal-hydrologic numerical model was also conducted to study fluid and heat distribution in the near field. The thermal analysis assumed a generic geological repository at 500 m depth. For the semi-analytical method, a backfilled closed repository was assumed with basic design and material properties. For the thermal-hydrologic numerical method, a repository layout with disposal in horizontal boreholes was assumed. The 3-D modeling domain covers a limited portion of the repository footprint to enable a detailed thermal analysis. A highly refined unstructured mesh was used with increased discretization near heat sources and at intersections of different materials. All simulations considered different parameter values for properties of components of the engineered barrier system (i.e. buffer, disturbed rock zone and the host rock), and different surface storage times. Results of the different modeling cases are presented and include temperature and fluid flow profiles in the near field at different simulation times. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA-0003525. SAND2017-8295 A.

1H NMR quantitative determination of photosynthetic pigments from green beans (Phaseolus vulgaris L.).

PubMed

Valverde, Juan; This, Hervé

2008-01-23

Using 1H nuclear magnetic resonance spectroscopy (1D and 2D), the two types of photosynthetic pigments (chlorophylls, their derivatives, and carotenoids) of "green beans" (immature pods of Phaseolus vulgaris L.) were analyzed. Compared to other analytical methods (light spectroscopy or chromatography), 1H NMR spectroscopy is a fast analytical way that provides more information on chlorophyll derivatives (allomers and epimers) than ultraviolet-visible spectroscopy. Moreover, it gives a large amount of data without prior chromatographic separation.

Chiral Analysis by Tandem Mass Spectrometry Using the Kinetic Method, by Polarimetry, and by [Superscript 1]H NMR Spectroscopy

ERIC Educational Resources Information Center

Fedick, Patrick W.; Bain, Ryan M.; Bain, Kinsey; Cooks, R. Graham

2017-01-01

The goal of this laboratory exercise was for students to understand the concept of chirality and how enantiomeric excess (ee) is experimentally determined using the analysis of ibuprofen as an example. Students determined the enantiomeric excess of the analyte by three different instrumental methods: mass spectrometry, nuclear magnetic resonance…

Nuclear Data Activities in Support of the DOE Nuclear Criticality Safety Program

NASA Astrophysics Data System (ADS)

Westfall, R. M.; McKnight, R. D.

2005-05-01

The DOE Nuclear Criticality Safety Program (NCSP) provides the technical infrastructure maintenance for those technologies applied in the evaluation and performance of safe fissionable-material operations in the DOE complex. These technologies include an Analytical Methods element for neutron transport as well as the development of sensitivity/uncertainty methods, the performance of Critical Experiments, evaluation and qualification of experiments as Benchmarks, and a comprehensive Nuclear Data program coordinated by the NCSP Nuclear Data Advisory Group (NDAG). The NDAG gathers and evaluates differential and integral nuclear data, identifies deficiencies, and recommends priorities on meeting DOE criticality safety needs to the NCSP Criticality Safety Support Group (CSSG). Then the NDAG identifies the required resources and unique capabilities for meeting these needs, not only for performing measurements but also for data evaluation with nuclear model codes as well as for data processing for criticality safety applications. The NDAG coordinates effort with the leadership of the National Nuclear Data Center, the Cross Section Evaluation Working Group (CSEWG), and the Working Party on International Evaluation Cooperation (WPEC) of the OECD/NEA Nuclear Science Committee. The overall objective is to expedite the issuance of new data and methods to the DOE criticality safety user. This paper describes these activities in detail, with examples based upon special studies being performed in support of criticality safety for a variety of DOE operations.

Quantum mechanical/molecular mechanical/continuum style solvation model: linear response theory, variational treatment, and nuclear gradients.

PubMed

Li, Hui

2009-11-14

Linear response and variational treatment are formulated for Hartree-Fock (HF) and Kohn-Sham density functional theory (DFT) methods and combined discrete-continuum solvation models that incorporate self-consistently induced dipoles and charges. Due to the variational treatment, analytic nuclear gradients can be evaluated efficiently for these discrete and continuum solvation models. The forces and torques on the induced point dipoles and point charges can be evaluated using simple electrostatic formulas as for permanent point dipoles and point charges, in accordance with the electrostatic nature of these methods. Implementation and tests using the effective fragment potential (EFP, a polarizable force field) method and the conductorlike polarizable continuum model (CPCM) show that the nuclear gradients are as accurate as those in the gas phase HF and DFT methods. Using B3LYP/EFP/CPCM and time-dependent-B3LYP/EFP/CPCM methods, acetone S(0)-->S(1) excitation in aqueous solution is studied. The results are close to those from full B3LYP/CPCM calculations.

Kinetics analysis and quantitative calculations for the successive radioactive decay process

NASA Astrophysics Data System (ADS)

Zhou, Zhiping; Yan, Deyue; Zhao, Yuliang; Chai, Zhifang

2015-01-01

The general radioactive decay kinetics equations with branching were developed and the analytical solutions were derived by Laplace transform method. The time dependence of all the nuclide concentrations can be easily obtained by applying the equations to any known radioactive decay series. Taking the example of thorium radioactive decay series, the concentration evolution over time of various nuclide members in the family has been given by the quantitative numerical calculations with a computer. The method can be applied to the quantitative prediction and analysis for the daughter nuclides in the successive decay with branching of the complicated radioactive processes, such as the natural radioactive decay series, nuclear reactor, nuclear waste disposal, nuclear spallation, synthesis and identification of superheavy nuclides, radioactive ion beam physics and chemistry, etc.

A Delayed Neutron Counting System for the Analysis of Special Nuclear Materials

NASA Astrophysics Data System (ADS)

Sellers, Madison Theresa

Nuclear forensic analysis is a modem science that uses numerous analytical techniques to identify and attribute nuclear materials in the event of a nuclear explosion, radiological terrorist attack or the interception of illicit nuclear material smuggling. The Canadian Department of National Defence has participated in recent international exercises that have highlighted the Nation's requirement to develop nuclear forensics expertise, protocol and capabilities, specifically pertaining to the analysis of special nuclear materials (SNM). A delayed neutron counting (DNC) system has been designed and established at the Royal Military College of Canada (RMC) to enhance the Government's SNM analysis capabilities. This analytical technique complements those already at RMC by providing a rapid and non-destructive method for the analysis of the fissile isotopes of both uranium (U) and plutonium (Pu). The SLOWPOKE-2 reactor at RMC produces a predominately thermal neutron flux. These neutrons induce fission in the SNM isotopes 233U, 235U and 239Pu releasing prompt fast neutrons, energy and radioactive fission fragments. Some of these fission fragments undergo beta - decay and subsequently emit neutrons, which can be recorded by an array of sensitive 3He detectors. The significant time period between the fission process and the release of these neutrons results in their identification as 'delayed neutrons'. The recorded neutron spectrum varies with time and the count rate curve is unique to each fissile isotope. In-house software, developed by this project, can analyze this delayed neutron curve and provides the fissile mass in the sample. Extensive characterization of the DNC system has been performed with natural U samples with 235 U content ranging from 2--7 microg. The system efficiency and dead time behaviour determined by the natural uranium sample analyses were validated by depleted uranium samples with similar quantities of 235 U resulting in a typical relative error of 3.6%. The system has accurately determined 235U content over three orders of magnitude with 235U amounts as low as 10 ng. The results have also been proven to be independent of small variations in total analyte volume and geometry, indicating that it is an ideal technique for the analysis of samples containing SNM in a variety of different matrices. The Analytical Sciences Group at RMC plans to continue DNC system development to include 233U and 239pu analysis and mixtures of SNM isotopes. Keywords: delayed neutron counting, special nuclear materials, nuclear forensics.

Nuclear magnetic resonance and high-performance liquid chromatography techniques for the characterization of bioactive compounds from Humulus lupulus L. (hop).

PubMed

Bertelli, Davide; Brighenti, Virginia; Marchetti, Lucia; Reik, Anna; Pellati, Federica

2018-06-01

Humulus lupulus L. (hop) represents one of the most cultivated crops, it being a key ingredient in the brewing process. Many health-related properties have been described for hop extracts, making this plant gain more interest in the field of pharmaceutical and nutraceutical research. Among the analytical tools available for the phytochemical characterization of plant extracts, quantitative nuclear magnetic resonance (qNMR) represents a new and powerful technique. In this ambit, the present study was aimed at the development of a new, simple, and efficient qNMR method for the metabolite fingerprinting of bioactive compounds in hop cones, taking advantage of the novel ERETIC 2 tool. To the best of our knowledge, this is the first attempt to apply this method to complex matrices of natural origin, such as hop extracts. The qNMR method set up in this study was applied to the quantification of both prenylflavonoids and bitter acids in eight hop cultivars. The performance of this analytical method was compared with that of HPLC-UV/DAD, which represents the most frequently used technique in the field of natural product analysis. The quantitative data obtained for hop samples by means of the two aforementioned techniques highlighted that the amount of bioactive compounds was slightly higher when qNMR was applied, although the order of magnitude of the values was the same. The accuracy of qNMR was comparable to that of the chromatographic method, thus proving to be a reliable tool for the analysis of these secondary metabolites in hop extracts. Graphical abstract Graphical abstract related to the extraction and analytical methods applied in this work for the analysis of bioactive compounds in Humulus lupulus L. (hop) cones.

ANALYTICAL CHEMISTRY IN NUCLEAR REACTOR TECHNOLOGY. Analysis of Reactor Fuels, Fission-Product Mixtures and Related Materials: Analytical Chemistry of Plutonium and the Transplutonic Elements. Third Conference, Gatlinburg, Tennessee, October 26-29, 1959

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

1960-01-01

Thirty-one papers and 10 summaries of papers presented at the Third Conference on Analytical Chemistry in Nuclear Reactor Technology held at Gatlinburg, Tennessee, October 26 to 29, 1959, are given. The papers are grouped into four sections: general, analytical chemistry of fuels, analytical chemistry of plutonium and the transplutonic elements, and the analysis of fission-product mixtures. Twenty-seven of the papers are covered by separate abstracts. Four were previously abstracted for NSA. (M.C.G.)

Benchmark solutions for the galactic heavy-ion transport equations with energy and spatial coupling

NASA Technical Reports Server (NTRS)

Ganapol, Barry D.; Townsend, Lawrence W.; Lamkin, Stanley L.; Wilson, John W.

1991-01-01

Nontrivial benchmark solutions are developed for the galactic heavy ion transport equations in the straightahead approximation with energy and spatial coupling. Analytical representations of the ion fluxes are obtained for a variety of sources with the assumption that the nuclear interaction parameters are energy independent. The method utilizes an analytical LaPlace transform inversion to yield a closed form representation that is computationally efficient. The flux profiles are then used to predict ion dose profiles, which are important for shield design studies.

Analytical design and performance studies of nuclear furnace tests of small nuclear light bulb models

NASA Technical Reports Server (NTRS)

Latham, T. S.; Rodgers, R. J.

1972-01-01

Analytical studies were continued to identify the design and performance characteristics of a small-scale model of a nuclear light bulb unit cell suitable for testing in a nuclear furnace reactor. Emphasis was placed on calculating performance characteristics based on detailed radiant heat transfer analyses, on designing the test assembly for ease of insertion, connection, and withdrawal at the reactor test cell, and on determining instrumentation and test effluent handling requirements. In addition, a review of candidate test reactors for future nuclear light bulb in-reactor tests was conducted.

Validation of pharmaceutical potency determinations by quantitative nuclear magnetic resonance spectrometry.

PubMed

Webster, Gregory K; Marsden, Ian; Pommerening, Cynthia A; Tyrakowski, Christina M

2010-05-01

With the changing development paradigms in the pharmaceutical industry, laboratories are challenged to release materials for clinical studies with rapid turnaround times. To minimize cost demands, many businesses are looking to develop ways of using early Good Manufacturing Practice (GMP) materials of active pharmaceutical ingredients (API) for Good Laboratory Practice (GLP) toxicology studies. To make this happen, the analytical laboratory releases the material by one of three scenarios: (1) holding the GLP release until full GMP testing is ready, (2) issuing a separate lot number for a portion of the GMP material and releasing the material for GLP use, or (3) releasing the lot of material for GLP using alternate (equivalent) method(s) not specified for GMP release testing. Many companies are finding the third scenario to be advantageous in terms of cost and efficiency through the use of quantitative nuclear magnetic resonance (q-NMR). The use of q-NMR has proved to be a single-point replacement for routine early development testing that previously combined elements of identity testing, chromatographic assay, moisture analysis, residual solvent analysis, and elemental analysis. This study highlights that q-NMR can be validated to meet current regulatory analytical method guidelines for routine pharmaceutical analysis.

Quantitative analysis of sitagliptin using the (19)F-NMR method: a universal technique for fluorinated compound detection.

PubMed

Zhang, Fen-Fen; Jiang, Meng-Hong; Sun, Lin-Lin; Zheng, Feng; Dong, Lei; Shah, Vishva; Shen, Wen-Bin; Ding, Ya

2015-01-07

To expand the application scope of nuclear magnetic resonance (NMR) technology in quantitative analysis of pharmaceutical ingredients, (19)F nuclear magnetic resonance ((19)F-NMR) spectroscopy has been employed as a simple, rapid, and reproducible approach for the detection of a fluorine-containing model drug, sitagliptin phosphate monohydrate (STG). ciprofloxacin (Cipro) has been used as the internal standard (IS). Influential factors, including the relaxation delay time (d1) and pulse angle, impacting the accuracy and precision of spectral data are systematically optimized. Method validation has been carried out in terms of precision and intermediate precision, linearity, limit of detection (LOD) and limit of quantification (LOQ), robustness, and stability. To validate the reliability and feasibility of the (19)F-NMR technology in quantitative analysis of pharmaceutical analytes, the assay result has been compared with that of (1)H-NMR. The statistical F-test and student t-test at 95% confidence level indicate that there is no significant difference between these two methods. Due to the advantages of (19)F-NMR, such as higher resolution and suitability for biological samples, it can be used as a universal technology for the quantitative analysis of other fluorine-containing pharmaceuticals and analytes.

An Analytical Method to Measure Free-Water Tritium in Foods using Azeotropic Distillation.

PubMed

Soga, Keisuke; Kamei, Toshiyuki; Hachisuka, Akiko; Nishimaki-Mogami, Tomoko

2016-01-01

A series of accidents at the Fukushima Dai-ichi Nuclear Power Plant has raised concerns about the discharge of contaminated water containing tritium ((3)H) from the nuclear power plant into the environment and into foods. In this study, we explored convenient analytical methods to measure free-water (3)H in foods using a liquid scintillation counting and azeotropic distillation method. The detection limit was 10 Bq/L, corresponding to about 0.01% of 1 mSv/year. The (3)H recoveries were 85-90% in fruits, vegetables, meats and fishes, 75-85% in rice and cereal crops, and less than 50% in sweets containing little water. We found that, in the case of sweets, adding water to the sample before the azeotropic distillation increased the recovery and precision. Then, the recoveries reached more than 75% and RSD was less than 10% in all food categories (13 kinds). Considering its sensitivity, precision and simplicity, this method is practical and useful for (3)H analysis in various foods, and should be suitable for the safety assessment of foods. In addition, we examined the level of (3)H in foods on the Japanese market. No (3)H radioactivity was detected in any of 42 analyzed foods.

Differentiation of Organically and Conventionally Grown Tomatoes by Chemometric Analysis of Combined Data from Proton Nuclear Magnetic Resonance and Mid-infrared Spectroscopy and Stable Isotope Analysis.

PubMed

Hohmann, Monika; Monakhova, Yulia; Erich, Sarah; Christoph, Norbert; Wachter, Helmut; Holzgrabe, Ulrike

2015-11-04

Because the basic suitability of proton nuclear magnetic resonance spectroscopy ((1)H NMR) to differentiate organic versus conventional tomatoes was recently proven, the approach to optimize (1)H NMR classification models (comprising overall 205 authentic tomato samples) by including additional data of isotope ratio mass spectrometry (IRMS, δ(13)C, δ(15)N, and δ(18)O) and mid-infrared (MIR) spectroscopy was assessed. Both individual and combined analytical methods ((1)H NMR + MIR, (1)H NMR + IRMS, MIR + IRMS, and (1)H NMR + MIR + IRMS) were examined using principal component analysis (PCA), partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and common components and specific weight analysis (ComDim). With regard to classification abilities, fused data of (1)H NMR + MIR + IRMS yielded better validation results (ranging between 95.0 and 100.0%) than individual methods ((1)H NMR, 91.3-100%; MIR, 75.6-91.7%), suggesting that the combined examination of analytical profiles enhances authentication of organically produced tomatoes.

Local CC2 response method based on the Laplace transform: analytic energy gradients for ground and excited states.

PubMed

Ledermüller, Katrin; Schütz, Martin

2014-04-28

A multistate local CC2 response method for the calculation of analytic energy gradients with respect to nuclear displacements is presented for ground and electronically excited states. The gradient enables the search for equilibrium geometries of extended molecular systems. Laplace transform is used to partition the eigenvalue problem in order to obtain an effective singles eigenvalue problem and adaptive, state-specific local approximations. This leads to an approximation in the energy Lagrangian, which however is shown (by comparison with the corresponding gradient method without Laplace transform) to be of no concern for geometry optimizations. The accuracy of the local approximation is tested and the efficiency of the new code is demonstrated by application calculations devoted to a photocatalytic decarboxylation process of present interest.

Calculations of atomic magnetic nuclear shielding constants based on the two-component normalized elimination of the small component method

NASA Astrophysics Data System (ADS)

Yoshizawa, Terutaka; Zou, Wenli; Cremer, Dieter

2017-04-01

A new method for calculating nuclear magnetic resonance shielding constants of relativistic atoms based on the two-component (2c), spin-orbit coupling including Dirac-exact NESC (Normalized Elimination of the Small Component) approach is developed where each term of the diamagnetic and paramagnetic contribution to the isotropic shielding constant σi s o is expressed in terms of analytical energy derivatives with regard to the magnetic field B and the nuclear magnetic moment 𝝁 . The picture change caused by renormalization of the wave function is correctly described. 2c-NESC/HF (Hartree-Fock) results for the σiso values of 13 atoms with a closed shell ground state reveal a deviation from 4c-DHF (Dirac-HF) values by 0.01%-0.76%. Since the 2-electron part is effectively calculated using a modified screened nuclear shielding approach, the calculation is efficient and based on a series of matrix manipulations scaling with (2M)3 (M: number of basis functions).

Radiative nonrecoil nuclear finite size corrections of order α(Zα)5 to the Lamb shift in light muonic atoms

NASA Astrophysics Data System (ADS)

Faustov, R. N.; Martynenko, A. P.; Martynenko, F. A.; Sorokin, V. V.

2017-12-01

On the basis of quasipotential method in quantum electrodynamics we calculate nuclear finite size radiative corrections of order α(Zα) 5 to the Lamb shift in muonic hydrogen and helium. To construct the interaction potential of particles, which gives the necessary contributions to the energy spectrum, we use the method of projection operators to states with a definite spin. Separate analytic expressions for the contributions of the muon self-energy, the muon vertex operator and the amplitude with spanning photon are obtained. We present also numerical results for these contributions using modern experimental data on the electromagnetic form factors of light nuclei.

Simultaneous analytical optimization of variational parameters in Gaussian-type functions with full configuration interaction of multicomponent molecular orbital method by elimination of translational and rotational motions: application to isotopomers of the hydrogen molecule.

PubMed

Ishimoto, Takayoshi; Tachikawa, Masanori; Nagashima, Umpei

2008-04-28

We have extended the multicomponent molecular orbital (MCMO) method to the full-configuration interaction (full-CI) fully variational molecular orbital method by elimination of translational and rotational motion components from total Hamiltonian. In the MCMO scheme, the quantum effects of protons and deuterons as well as electrons can be directly taken into account. All variational parameters in the full-CI scheme, i.e., exponents and centers (alpha and R) in the Gaussian-type function (GTF) basis set as well as the CI coefficients, are simultaneously optimized by using their analytical gradients. The total energy of the H(2) molecule calculated using the electronic [6s3p2d1f] and nuclear [1s1p1d1f] GTFs is -1.161 726 hartree, which can be compared to the energy of -1.164 025 hartree reported using a 512 term-explicitly correlated GTF calculation. Although the d- and f-type nuclear GTFs contribute to the improvement of energy convergence, the convergence of electron-nucleus correlation energy is slower than that of electron-electron one. The nuclear wave functions are delocalized due to the electron-nucleus correlation effect compared to the result of Hartree-Fock level of MCMO method. In addition, the average internuclear distances of all diatomic molecules are within 0.001 A of the previously reported experimental results. The dipole moment of the HD molecule estimated by our method is 8.4 x 10(-4) D, which is in excellent agreement with the experimental result of (8-10) x 10(-4) D.

Proceedings of the 7th International Meeting on Nuclear Reactor Thermal-Hydraulics NURETH-7. Volume 3, Sessions 12-16

DOE Office of Scientific and Technical Information (OSTI.GOV)

Block, R.C.; Feiner, F.

This document, Volume 3, includes papers presented at the 7th International Meeting on Nuclear Reactor Thermal-Hydraulics (NURETH-7) September 10--15, 1995 at Saratoga Springs, N.Y. The following subjects are discussed: Progress in analytical and experimental work on the fundamentals of nuclear thermal-hydraulics, the development of advanced mathematical and numerical methods, ad the application of advancements in the field in the development of novel reactor concepts. Also combined issues of thermal-hydraulics and reactor/power-plant safety, core neutronics and/or radiation. Selected abstracts have been indexed separately for inclusion in the Energy Science and Technology Database.

Temperature Profile in Fuel and Tie-Tubes for Nuclear Thermal Propulsion Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vishal Patel

A finite element method to calculate temperature profiles in heterogeneous geometries of tie-tube moderated LEU nuclear thermal propulsion systems and HEU designs with tie-tubes is developed and implemented in MATLAB. This new method is compared to previous methods to demonstrate shortcomings in those methods. Typical methods to analyze peak fuel centerline temperature in hexagonal geometries rely on spatial homogenization to derive an analytical expression. These methods are not applicable to cores with tie-tube elements because conduction to tie-tubes cannot be accurately modeled with the homogenized models. The fuel centerline temperature directly impacts safety and performance so it must be predictedmore » carefully. The temperature profile in tie-tubes is also important when high temperatures are expected in the fuel because conduction to the tie-tubes may cause melting in tie-tubes, which may set maximum allowable performance. Estimations of maximum tie-tube temperature can be found from equivalent tube methods, however this method tends to be approximate and overly conservative. A finite element model of heat conduction on a unit cell can model spatial dependence and non-linear conductivity for fuel and tie-tube systems allowing for higher design fidelity of Nuclear Thermal Propulsion.« less

On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods.

PubMed

Poppe, Leszek; Jordan, John B; Rogers, Gary; Schnier, Paul D

2015-06-02

An important aspect in the analytical characterization of protein therapeutics is the comprehensive characterization of higher order structure (HOS). Nuclear magnetic resonance (NMR) is arguably the most sensitive method for fingerprinting HOS of a protein in solution. Traditionally, (1)H-(15)N or (1)H-(13)C correlation spectra are used as a "structural fingerprint" of HOS. Here, we demonstrate that protein fingerprint by line shape enhancement (PROFILE), a 1D (1)H NMR spectroscopy fingerprinting approach, is superior to traditional two-dimensional methods using monoclonal antibody samples and a heavily glycosylated protein therapeutic (Epoetin Alfa). PROFILE generates a high resolution structural fingerprint of a therapeutic protein in a fraction of the time required for a 2D NMR experiment. The cross-correlation analysis of PROFILE spectra allows one to distinguish contributions from HOS vs protein heterogeneity, which is difficult to accomplish by 2D NMR. We demonstrate that the major analytical limitation of two-dimensional methods is poor selectivity, which renders these approaches problematic for the purpose of fingerprinting large biological macromolecules.

Constraints on the nuclear equation of state from nuclear masses and radii in a Thomas-Fermi meta-modeling approach

NASA Astrophysics Data System (ADS)

Chatterjee, D.; Gulminelli, F.; Raduta, Ad. R.; Margueron, J.

2017-12-01

The question of correlations among empirical equation of state (EoS) parameters constrained by nuclear observables is addressed in a Thomas-Fermi meta-modeling approach. A recently proposed meta-modeling for the nuclear EoS in nuclear matter is augmented with a single finite size term to produce a minimal unified EoS functional able to describe the smooth part of the nuclear ground state properties. This meta-model can reproduce the predictions of a large variety of models, and interpolate continuously between them. An analytical approximation to the full Thomas-Fermi integrals is further proposed giving a fully analytical meta-model for nuclear masses. The parameter space is sampled and filtered through the constraint of nuclear mass reproduction with Bayesian statistical tools. We show that this simple analytical meta-modeling has a predictive power on masses, radii, and skins comparable to full Hartree-Fock or extended Thomas-Fermi calculations with realistic energy functionals. The covariance analysis on the posterior distribution shows that no physical correlation is present between the different EoS parameters. Concerning nuclear observables, a strong correlation between the slope of the symmetry energy and the neutron skin is observed, in agreement with previous studies.

Radiochemistry in the twenty-first century: Strenghts, weaknesses, opportunities and threats

NASA Astrophysics Data System (ADS)

de Goeij, J. J. M.

2003-01-01

Strengths, weaknesses, opportunities and threats of radiochemistry and associated nuclear chemistry are discussed. For that purpose radiochemistry is subdivided into three categories. The first category covers fundamental aspects, e.g. nuclear reaction cross-sections, production routes with associated yields and radionuclidic impurities, decay schemes, radiochemical separations, recoil and hot-atom chemistry, isotope effects and fractionation, and interaction of radiation with matter and detection. The second category covers topics where radioactivity is inextricably involved, e.g. the nuclear fuel cycle, very heavy elements and other actinides, primordial and cosmogenic radioactivity, and radionuclide techniques for dating. The third category involves radioactivity as essential part of a technique. On one hand radioactivity is used here as source of ionising radiation for food conservation, polymerisation of plastics, sterilisation, radiotherapy and pain palliation. On the other hand it is used to get information on systems and materials, via radiotracer methods and nuclear activation techniques. In particular the latter field is experiencing strong competition with other, non-nuclear methods. In this frame it is indicated what is required to achieve a situation where nuclear analytical techniques may successfully be exploited to the full extent of their potentials, particularly in providing valuable and sometimes unique information.

Nuclear and atomic analytical techniques in environmental studies in South America.

PubMed

Paschoa, A S

1990-01-01

The use of nuclear analytical techniques for environmental studies in South America is selectively reviewed since the time of earlier works of Lattes with cosmic rays until the recent applications of the PIXE (particle-induced X-ray emission) technique to study air pollution problems in large cities, such as São Paulo and Rio de Janeiro. The studies on natural radioactivity and fallout from nuclear weapons in South America are briefly examined.

Bioanalytical Applications of Fluorescence Line-Narrowing and Non-Line-Narrowing Spectroscopy Interfaced with Capillary Electrophoresis and High-Performance Liquid Chromatography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roberts, Kenneth Paul

Capillary electrophoresis (CE) and high-performance liquid chromatography (HPLC) are widely used analytical separation techniques with many applications in chemical, biochemical, and biomedical sciences. Conventional analyte identification in these techniques is based on retention/migration times of standards; requiring a high degree of reproducibility, availability of reliable standards, and absence of coelution. From this, several new information-rich detection methods (also known as hyphenated techniques) are being explored that would be capable of providing unambiguous on-line identification of separating analytes in CE and HPLC. As further discussed, a number of such on-line detection methods have shown considerable success, including Raman, nuclear magnetic resonancemore » (NMR), mass spectrometry (MS), and fluorescence line-narrowing spectroscopy (FLNS). In this thesis, the feasibility and potential of combining the highly sensitive and selective laser-based detection method of FLNS with analytical separation techniques are discussed and presented. A summary of previously demonstrated FLNS detection interfaced with chromatography and electrophoresis is given, and recent results from on-line FLNS detection in CE (CE-FLNS), and the new combination of HPLC-FLNS, are shown.« less

Quantitative Analysis of Nail Polish Remover Using Nuclear Magnetic Resonance Spectroscopy Revisited

ERIC Educational Resources Information Center

Hoffmann, Markus M.; Caccamis, Joshua T.; Heitz, Mark P.; Schlecht, Kenneth D.

2008-01-01

Substantial modifications are presented for a previously described experiment using nuclear magnetic resonance (NMR) spectroscopy to quantitatively determine analytes in commercial nail polish remover. The revised experiment is intended for a second- or third-year laboratory course in analytical chemistry and can be conducted for larger laboratory…

Uranium and Calcium Isotope Ratio Measurements using the Modified Total Evaporation Method in TIMS

NASA Astrophysics Data System (ADS)

Richter, S.; Kuehn, H.; Berglund, M.; Hennessy, C.

2010-12-01

A new version of the "modified total evaporation" (MTE) method for isotopic analysis by multi-collector thermal ionization mass spectrometry (TIMS), with high analytical performance and designed in a more user-friendly and routinely applicable way, is described in detail. It is mainly being used for nuclear safeguards measurements of U and Pu and nuclear metrology, but can readily be applied to other scientific tasks in geochemistry, e.g. for Sr, Nd and Ca, as well. The development of the MTE method was organized in collaboration of several "key nuclear mass spectrometry laboratories", namely the New Brunswick Laboratory (NBL), the Institute for Transuranium Elements (ITU), the Safeguards Analytical Laboratory (now Safeguards Analytical Services, SGAS) of the International Atomic Energy Agency (IAEA) and the Institute for Reference Materials and Measurements (IRMM), with IRMM taking the leading role. The manufacturer of the TRITON TIMS instrument, Thermo Fisher Scientific, integrated this method into the software of the instrument. The development has now reached its goal to become a user-friendly and routinely useable method for uranium isotope ratio measurements with high precision and accuracy. Due to the use of the “total evaporation” (TE) method the measurement of the "major" uranium isotope ratio 235U/238U is routinely being performed with a precision of 0.01% to 0.02%. The use of a (certified) reference material measured under comparable conditions is emphasized to achieve an accuracy at a level of 0.02% - depending on the stated uncertainty of the certified value of the reference material. In contrast to the total evaporation method (TE), in the MTE method the total evaporation sequence is interrupted on a regular basis to allow for correction for background from peak tailing, internal calibration of a secondary electron multiplier (SEM) detector versus the Faraday cups, and ion source re-focusing. Therefore, the most significant improvement using the MTE method is in the analytical performance achieved for the "minor" ratios 234U/238U and 236U/238U. The MTE method is now routinely used at all collaborating laboratories and possibly more in the future. Additional applications for the MTE method, e.g. to take advantage of the good external precision in combination with the possibilities of internal background and detector calibrations or mass jumps between different cup configurations, are presented as well. One interesting application concerns new absolute isotope ratio measurements for Ca with an unprecedented level of accuracy. This is important because up to now most reported Ca isotope data are only calculated as relative deviations from a standard like NIST-SRM 915. Using the MTE method measurements on new gravimetrically prepared Ca isotope mixtures were performed. A significantly improved level of accuracy at the level of about 0.02% for both the 42Ca/40Ca and 44Ca/40Ca ratios was obtained.

Highly selective detection of individual nuclear spins with rotary echo on an electron spin probe

PubMed Central

Mkhitaryan, V. V.; Jelezko, F.; Dobrovitski, V. V.

2015-01-01

We consider an electronic spin, such as a nitrogen-vacancy center in diamond, weakly coupled to a large number of nuclear spins, and subjected to the Rabi driving with a periodically alternating phase. We show that by switching the driving phase synchronously with the precession of a given nuclear spin, the interaction to this spin is selectively enhanced, while the rest of the bath remains decoupled. The enhancement is of resonant character. The key feature of the suggested scheme is that the width of the resonance is adjustable, and can be greatly decreased by increasing the driving strength. Thus, the resonance can be significantly narrowed, by a factor of 10–100 in comparison with the existing detection methods. Significant improvement in selectivity is explained analytically and confirmed by direct numerical many-spin simulations. The method can be applied to a wide range of solid-state systems. PMID:26497777

Dynamic nuclear polarization in solid samples by electrical-discharge-induced radicals

NASA Astrophysics Data System (ADS)

Katz, Itai; Blank, Aharon

2015-12-01

Dynamic nuclear polarization (DNP) is a method for enhancing nuclear magnetic resonance (NMR) signals that has many potential applications in chemistry and medicine. Traditionally, DNP signal enhancement is achieved through the use of exogenous radicals mixed in a solution with the molecules of interest. Here we show that proton DNP signal enhancements can be obtained for solid samples without the use of solvent and exogenous radicals. Radicals are generated primarily on the surface of a solid sample using electrical discharges. These radicals are found suitable for DNP. They are stable under moderate vacuum conditions, yet readily annihilate upon compound dissolution or air exposure. This feature makes them attractive for use in medical applications, where the current variety of radicals used for DNP faces regulatory problems. In addition, this solvent-free method may be found useful for analytical NMR of solid samples which cannot tolerate solvents, such as certain pharmaceutical products.

Modeling Radionuclide Decay Chain Migration Using HYDROGEOCHEM

NASA Astrophysics Data System (ADS)

Lin, T. C.; Tsai, C. H.; Lai, K. H.; Chen, J. S.

2014-12-01

Nuclear technology has been employed for energy production for several decades. Although people receive many benefits from nuclear energy, there are inevitably environmental pollutions as well as human health threats posed by the radioactive materials releases from nuclear waste disposed in geological repositories or accidental releases of radionuclides from nuclear facilities. Theoretical studies have been undertaken to understand the transport of radionuclides in subsurface environments because that the radionuclide transport in groundwater is one of the main pathway in exposure scenarios for the intake of radionuclides. The radionuclide transport in groundwater can be predicted using analytical solution as well as numerical models. In this study, we simulate the transport of the radionuclide decay chain using HYDROGEOCHEM. The simulated results are verified against the analytical solution available in the literature. Excellent agreements between the numerical simulation and the analytical are observed for a wide spectrum of concentration. HYDROGECHEM is a useful tool assessing the ecological and environmental impact of the accidental radionuclide releases such as the Fukushima nuclear disaster where multiple radionuclides leaked through the reactor, subsequently contaminating the local groundwater and ocean seawater in the vicinity of the nuclear plant.

State of practice and emerging application of analytical techniques of nuclear forensic analysis: highlights from the 4th Collaborative Materials Exercise of the Nuclear Forensics International Technical Working Group (ITWG)

DOE PAGES

Schwantes, Jon M.; Marsden, Oliva; Pellegrini, Kristi L.

2016-09-16

The Nuclear Forensics International Technical Working Group (ITWG) recently completed its fourth Collaborative Materials Exercise (CMX-4) in the 21 year history of the Group. This was also the largest materials exercise to date, with participating laboratories from 16 countries or international organizations. Moreover, exercise samples (including three separate samples of low enriched uranium oxide) were shipped as part of an illicit trafficking scenario, for which each laboratory was asked to conduct nuclear forensic analyses in support of a fictitious criminal investigation. In all, over 30 analytical techniques were applied to characterize exercise materials, for which ten of those techniques weremore » applied to ITWG exercises for the first time. We performed an objective review of the state of practice and emerging application of analytical techniques of nuclear forensic analysis based upon the outcome of this most recent exercise is provided.« less

State of practice and emerging application of analytical techniques of nuclear forensic analysis: highlights from the 4th Collaborative Materials Exercise of the Nuclear Forensics International Technical Working Group (ITWG)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwantes, Jon M.; Marsden, Oliva; Pellegrini, Kristi L.

The Nuclear Forensics International Technical Working Group (ITWG) recently completed its fourth Collaborative Materials Exercise (CMX-4) in the 21 year history of the Group. This was also the largest materials exercise to date, with participating laboratories from 16 countries or international organizations. Moreover, exercise samples (including three separate samples of low enriched uranium oxide) were shipped as part of an illicit trafficking scenario, for which each laboratory was asked to conduct nuclear forensic analyses in support of a fictitious criminal investigation. In all, over 30 analytical techniques were applied to characterize exercise materials, for which ten of those techniques weremore » applied to ITWG exercises for the first time. We performed an objective review of the state of practice and emerging application of analytical techniques of nuclear forensic analysis based upon the outcome of this most recent exercise is provided.« less

Analytical Study of 90Sr Betavoltaic Nuclear Battery Performance Based on p-n Junction Silicon

NASA Astrophysics Data System (ADS)

Rahastama, Swastya; Waris, Abdul

2016-08-01

Previously, an analytical calculation of 63Ni p-n junction betavoltaic battery has been published. As the basic approach, we reproduced the analytical simulation of 63Ni betavoltaic battery and then compared it to previous results using the same design of the battery. Furthermore, we calculated its maximum power output and radiation- electricity conversion efficiency using semiconductor analysis method.Then, the same method were applied to calculate and analyse the performance of 90Sr betavoltaic battery. The aim of this project is to compare the analytical perfomance results of 90Sr betavoltaic battery to 63Ni betavoltaic battery and the source activity influences to performance. Since it has a higher power density, 90Sr betavoltaic battery yields more power than 63Ni betavoltaic battery but less radiation-electricity conversion efficiency. However, beta particles emitted from 90Sr source could travel further inside the silicon corresponding to stopping range of beta particles, thus the 90Sr betavoltaic battery could be designed thicker than 63Ni betavoltaic battery to achieve higher conversion efficiency.

Analytical Chemistry Division. Annual progress report for period ending December 31, 1980

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lyon, W.S.

1981-05-01

This report is divided into: analytical methodology; mass and emission spectrometry; technical support; bio/organic analysis; nuclear and radiochemical analysis; quality assurance, safety, and tabulation of analyses; supplementary activities; and presentation of research results. Separate abstracts were prepared for the technical support, bio/organic analysis, and nuclear and radiochemical analysis. (DLC)

Novel Separation of Actinides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mariella, R

The separation of actinides and other elements of interest for nuclear forensics and threat reduction is currently performed using decades-old chemistries and ion-exchange columns. We propose to determine the technical feasibility of a novel method for separating actinide ions in solution. This method is based upon isotachophoresis (ITP), which has been applied in the purification of pharmaceuticals and other biochemical applications. This technique has the potential to separate inorganic ions more effectively than existing methods, which is key to analyzing very small samples. We will perform a quantitative assessment of the effectiveness of specific isotachophoretic approaches including predicting the physicalmore » and chemical properties, such as ion mobility, of inorganic ions under specific solvent conditions using a combination of ab initio calculations and semi-empirical methods. We expect to obtain a thorough understanding of the analytical systems parameters under which ITP is most effective for the separation of inorganic samples, including the influence of the double layer surrounding actinide ions, the Debye length for different ions and ion complexes, and Debye-Hueckel limits. Inorganic separations are key to nuclear forensics for countering terrorism and nuclear proliferation. If found to be feasible and potentially superior to currently used separation approaches, ITP could provide the conceptual basis for an improved means to separate samples of nuclear explosion debris for nuclear forensic analysis, in support of the Laboratory's missions in homeland and national security.« less

Aluminum Data Measurements and Evaluation for Criticality Safety Applications

NASA Astrophysics Data System (ADS)

Leal, L. C.; Guber, K. H.; Spencer, R. R.; Derrien, H.; Wright, R. Q.

2002-12-01

The Defense Nuclear Facility Safety Board (DNFSB) Recommendation 93-2 motivated the US Department of Energy (DOE) to develop a comprehensive criticality safety program to maintain and to predict the criticality of systems throughout the DOE complex. To implement the response to the DNFSB Recommendation 93-2, a Nuclear Criticality Safety Program (NCSP) was created including the following tasks: Critical Experiments, Criticality Benchmarks, Training, Analytical Methods, and Nuclear Data. The Nuclear Data portion of the NCSP consists of a variety of differential measurements performed at the Oak Ridge Electron Linear Accelerator (ORELA) at the Oak Ridge National Laboratory (ORNL), data analysis and evaluation using the generalized least-squares fitting code SAMMY in the resolved, unresolved, and high energy ranges, and the development and benchmark testing of complete evaluations for a nuclide for inclusion into the Evaluated Nuclear Data File (ENDF/B). This paper outlines the work performed at ORNL to measure, evaluate, and test the nuclear data for aluminum for applications in criticality safety problems.

Nuclear Fragmentation Processes Relevant for Human Space Radiation Protection

NASA Technical Reports Server (NTRS)

Lin, Zi-Wei

2007-01-01

Space radiation from cosmic ray particles is one of the main challenges for human space explorations such-as a moon base or a trip to Mars. Models have been developed in order to predict the radiation exposure to astronauts and to evaluate the effectiveness of different shielding materials, and a key ingredient in these models is the physics of nuclear fragmentations. We have developed a semi-analytical method to determine which partial cross sections of nuclear fragmentations most affect the radiation dose behind shielding materials due to exposure to galactic cosmic rays. The cross sections thus determined will require more theoretical and/or experimental studies in order for us to better predict, reduce and mitigate the radiation exposure in human space explorations.

Macro elemental analysis of food samples by nuclear analytical technique

NASA Astrophysics Data System (ADS)

Syahfitri, W. Y. N.; Kurniawati, S.; Adventini, N.; Damastuti, E.; Lestiani, D. D.

2017-06-01

Energy-dispersive X-ray fluorescence (EDXRF) spectrometry is a non-destructive, rapid, multi elemental, accurate, and environment friendly analysis compared with other detection methods. Thus, EDXRF spectrometry is applicable for food inspection. The macro elements calcium and potassium constitute important nutrients required by the human body for optimal physiological functions. Therefore, the determination of Ca and K content in various foods needs to be done. The aim of this work is to demonstrate the applicability of EDXRF for food analysis. The analytical performance of non-destructive EDXRF was compared with other analytical techniques; neutron activation analysis and atomic absorption spectrometry. Comparison of methods performed as cross checking results of the analysis and to overcome the limitations of the three methods. Analysis results showed that Ca found in food using EDXRF and AAS were not significantly different with p-value 0.9687, whereas p-value of K between EDXRF and NAA is 0.6575. The correlation between those results was also examined. The Pearson correlations for Ca and K were 0.9871 and 0.9558, respectively. Method validation using SRM NIST 1548a Typical Diet was also applied. The results showed good agreement between methods; therefore EDXRF method can be used as an alternative method for the determination of Ca and K in food samples.

237Np analytical method using 239Np tracers and application to a contaminated nuclear disposal facility

DOE PAGES

Snow, Mathew S.; Morrison, Samuel S.; Clark, Sue B.; ...

2017-03-21

In this study, environmental 237Np analyses are challenged by low 237Np concentrations and lack of an available yield tracer; we report a rapid, inexpensive 237Np analytical approach employing the short lived 239Np (t1/2 = 2.3 days) as a chemical yield tracer followed by 237Np quantification using inductively coupled plasma-mass spectrometry. 239Np tracer is obtained via separation from a 243Am stock solution and standardized using gamma spectrometry immediately prior to sample processing. Rapid digestions using a commercial, 900 W "Walmart" microwave and Parr microwave vessels result in 99.8 ± 0.1% digestion yields, while chromatographic separations enable Np/U separation factors on themore » order of 10 6 and total Np yields of 95 ± 4% (2σ). Application of this method to legacy soil samples surrounding a radioactive disposal facility (the Subsurface Disposal Area at Idaho National Laboratory) reveal the presence of low level 237Np contamination within 600 m of this site, with maximum 237Np concentrations on the order of 10 3 times greater than nuclear weapons testing fallout levels.« less

237 Np analytical method using 239 Np tracers and application to a contaminated nuclear disposal facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Snow, Mathew S.; Morrison, Samuel S.; Clark, Sue B.

2017-06-01

Environmental 237Np analyses are challenged by low 237Np concentrations and lack of an available yield tracer; we report a rapid, inexpensive 237Np analytical approach employing the short lived 239Np (t1/2 = 2.3 days) as a chemical yield tracer followed by 237Np quantification using inductively coupled plasma-mass spectrometry. 239Np tracer is obtained via separation from a 243Am stock solution and standardized using gamma spectrometry immediately prior to sample processing. Rapid digestions using a commercial, 900 watt “Walmart” microwave and Parr microwave vessels result in 99.8 ± 0.1% digestion yields, while chromatographic separations enable Np/U separation factors on the order of 106more » and total Np yields of 95 ± 4% (2σ). Application of this method to legacy soil samples surrounding a radioactive disposal facility (the Subsurface Disposal Area at Idaho National Laboratory) reveal the presence of low level 237Np contamination within 600 meters of this site, with maximum 237Np concentrations on the order of 103 times greater than nuclear weapons testing fallout levels.« less

237Np analytical method using 239Np tracers and application to a contaminated nuclear disposal facility.

PubMed

Snow, Mathew S; Morrison, Samuel S; Clark, Sue B; Olson, John E; Watrous, Matthew G

2017-06-01

Environmental 237 Np analyses are challenged by low 237 Np concentrations and lack of an available yield tracer; we report a rapid, inexpensive 237 Np analytical approach employing the short lived 239 Np (t 1/2  = 2.3 days) as a chemical yield tracer followed by 237 Np quantification using inductively coupled plasma-mass spectrometry. 239 Np tracer is obtained via separation from a 243 Am stock solution and standardized using gamma spectrometry immediately prior to sample processing. Rapid digestions using a commercial, 900 W "Walmart" microwave and Parr microwave vessels result in 99.8 ± 0.1% digestion yields, while chromatographic separations enable Np/U separation factors on the order of 10 6 and total Np yields of 95 ± 4% (2σ). Application of this method to legacy soil samples surrounding a radioactive disposal facility (the Subsurface Disposal Area at Idaho National Laboratory) reveal the presence of low level 237 Np contamination within 600 m of this site, with maximum 237 Np concentrations on the order of 10 3 times greater than nuclear weapons testing fallout levels. Copyright © 2017 Elsevier Ltd. All rights reserved.

Higher order alchemical derivatives from coupled perturbed self-consistent field theory.

PubMed

Lesiuk, Michał; Balawender, Robert; Zachara, Janusz

2012-01-21

We present an analytical approach to treat higher order derivatives of Hartree-Fock (HF) and Kohn-Sham (KS) density functional theory energy in the Born-Oppenheimer approximation with respect to the nuclear charge distribution (so-called alchemical derivatives). Modified coupled perturbed self-consistent field theory is used to calculate molecular systems response to the applied perturbation. Working equations for the second and the third derivatives of HF/KS energy are derived. Similarly, analytical forms of the first and second derivatives of orbital energies are reported. The second derivative of Kohn-Sham energy and up to the third derivative of Hartree-Fock energy with respect to the nuclear charge distribution were calculated. Some issues of practical calculations, in particular the dependence of the basis set and Becke weighting functions on the perturbation, are considered. For selected series of isoelectronic molecules values of available alchemical derivatives were computed and Taylor series expansion was used to predict energies of the "surrounding" molecules. Predicted values of energies are in unexpectedly good agreement with the ones computed using HF/KS methods. Presented method allows one to predict orbital energies with the error less than 1% or even smaller for valence orbitals. © 2012 American Institute of Physics

Establishment of a reference collection of additives and an analytical handbook of reference data to support enforcement of EU regulations on food contact plastics.

PubMed

van Lierop, B; Castle, L; Feigenbaum, A; Ehlert, K; Boenke, A

1998-10-01

A collection has been made of additives that are required as analytical standards for enforcement of European Union legislation on food contact plastics. The 100 additives have been characterized by mass spectrometry, infra-red spectroscopy and proton nuclear magnetic resonance spectroscopy to provide reference spectra. Gas chromatographic retention times have been recorded to facilitate identification by retention index. This information has been further supplemented by physico-chemical data. Finally, chromatographic methods have been used to indicate the presence of any impurities in the commercial chemicals. Samples of the reference substances are available on request and the collection of spectra and other information will be made available in printed format and on-line through the Internet. This paper gives an overview of the work done to establish the reference collection and the spectral atlas, which together will assist enforcement laboratories in the characterization of plastics and the selection of analytical methods for additives that may migrate.

Development of a point-kinetic verification scheme for nuclear reactor applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Demazière, C., E-mail: demaz@chalmers.se; Dykin, V.; Jareteg, K.

In this paper, a new method that can be used for checking the proper implementation of time- or frequency-dependent neutron transport models and for verifying their ability to recover some basic reactor physics properties is proposed. This method makes use of the application of a stationary perturbation to the system at a given frequency and extraction of the point-kinetic component of the system response. Even for strongly heterogeneous systems for which an analytical solution does not exist, the point-kinetic component follows, as a function of frequency, a simple analytical form. The comparison between the extracted point-kinetic component and its expectedmore » analytical form provides an opportunity to verify and validate neutron transport solvers. The proposed method is tested on two diffusion-based codes, one working in the time domain and the other working in the frequency domain. As long as the applied perturbation has a non-zero reactivity effect, it is demonstrated that the method can be successfully applied to verify and validate time- or frequency-dependent neutron transport solvers. Although the method is demonstrated in the present paper in a diffusion theory framework, higher order neutron transport methods could be verified based on the same principles.« less

Comparative study between single core model and detail core model of CFD modelling on reactor core cooling behaviour

NASA Astrophysics Data System (ADS)

Darmawan, R.

2018-01-01

Nuclear power industry is facing uncertainties since the occurrence of the unfortunate accident at Fukushima Daiichi Nuclear Power Plant. The issue of nuclear power plant safety becomes the major hindrance in the planning of nuclear power program for new build countries. Thus, the understanding of the behaviour of reactor system is very important to ensure the continuous development and improvement on reactor safety. Throughout the development of nuclear reactor technology, investigation and analysis on reactor safety have gone through several phases. In the early days, analytical and experimental methods were employed. For the last four decades 1D system level codes were widely used. The continuous development of nuclear reactor technology has brought about more complex system and processes of nuclear reactor operation. More detailed dimensional simulation codes are needed to assess these new reactors. Recently, 2D and 3D system level codes such as CFD are being explored. This paper discusses a comparative study on two different approaches of CFD modelling on reactor core cooling behaviour.

Mathematical Development and Computational Analysis of Harmonic Phase-Magnetic Resonance Imaging (HARP-MRI) Based on Bloch Nuclear Magnetic Resonance (NMR) Diffusion Model for Myocardial Motion.

PubMed

Dada, Michael O; Jayeoba, Babatunde; Awojoyogbe, Bamidele O; Uno, Uno E; Awe, Oluseyi E

2017-09-13

Harmonic Phase-Magnetic Resonance Imaging (HARP-MRI) is a tagged image analysis method that can measure myocardial motion and strain in near real-time and is considered a potential candidate to make magnetic resonance tagging clinically viable. However, analytical expressions of radially tagged transverse magnetization in polar coordinates (which is required to appropriately describe the shape of the heart) have not been explored because the physics required to directly connect myocardial deformation of tagged Nuclear Magnetic Resonance (NMR) transverse magnetization in polar geometry and the appropriate harmonic phase parameters are not yet available. The analytical solution of Bloch NMR diffusion equation in spherical geometry with appropriate spherical wave tagging function is important for proper analysis and monitoring of heart systolic and diastolic deformation with relevant boundary conditions. In this study, we applied Harmonic Phase MRI method to compute the difference between tagged and untagged NMR transverse magnetization based on the Bloch NMR diffusion equation and obtained radial wave tagging function for analysis of myocardial motion. The analytical solution of the Bloch NMR equations and the computational simulation of myocardial motion as developed in this study are intended to significantly improve healthcare for accurate diagnosis, prognosis and treatment of cardiovascular related deceases at the lowest cost because MRI scan is still one of the most expensive anywhere. The analysis is fundamental and significant because all Magnetic Resonance Imaging techniques are based on the Bloch NMR flow equations.

Choosing and Using Introns in Molecular Phylogenetics

PubMed Central

Creer, Simon

2007-01-01

Introns are now commonly used in molecular phylogenetics in an attempt to recover gene trees that are concordant with species trees, but there are a range of genomic, logistical and analytical considerations that are infrequently discussed in empirical studies that utilize intron data. This review outlines expedient approaches for locus selection, overcoming paralogy problems, recombination detection methods and the identification and incorporation of LVHs in molecular systematics. A range of parsimony and Bayesian analytical approaches are also described in order to highlight the methods that can currently be employed to align sequences and treat indels in subsequent analyses. By covering the main points associated with the generation and analysis of intron data, this review aims to provide a comprehensive introduction to using introns (or any non-coding nuclear data partition) in contemporary phylogenetics. PMID:19461984

Designing a Double-Pole Nanoscale Relay Based on a Carbon Nanotube: A Theoretical Study

NASA Astrophysics Data System (ADS)

Mu, Weihua; Ou-Yang, Zhong-can; Dresselhaus, Mildred S.

2017-08-01

We theoretically investigate a novel and powerful double-pole nanoscale relay based on a carbon nanotube, which is one of the nanoelectromechanical switches being able to work under the strong nuclear radiation, and analyze the physical mechanism of the operating stages in the operation, including "pull in," "connection," and "pull back," as well as the key factors influencing the efficiency of the devices. We explicitly provide the analytical expression of the two important operation voltages, Vpull in and Vpull back , therefore clearly showing the dependence of the material properties and geometry of the present devices by the analytical method from basic physics, avoiding complex numerical calculations. Our method is easy to use in preparing the design guide for fabricating the present device and other nanoelectromechanical devices.

The kinetic energy operator for distance-dependent effective nuclear masses: Derivation for a triatomic molecule.

PubMed

Khoma, Mykhaylo; Jaquet, Ralph

2017-09-21

The kinetic energy operator for triatomic molecules with coordinate or distance-dependent nuclear masses has been derived. By combination of the chain rule method and the analysis of infinitesimal variations of molecular coordinates, a simple and general technique for the construction of the kinetic energy operator has been proposed. The asymptotic properties of the Hamiltonian have been investigated with respect to the ratio of the electron and proton mass. We have demonstrated that an ad hoc introduction of distance (and direction) dependent nuclear masses in Cartesian coordinates preserves the total rotational invariance of the problem. With the help of Wigner rotation functions, an effective Hamiltonian for nuclear motion can be derived. In the derivation, we have focused on the effective trinuclear Hamiltonian. All necessary matrix elements are given in closed analytical form. Preliminary results for the influence of non-adiabaticity on vibrational band origins are presented for H 3 + .

Proceedings of the 7th International Meeting on Nuclear Reactor Thermal-Hydraulics NURETH-7. Sessions 17-24

DOE Office of Scientific and Technical Information (OSTI.GOV)

Block, R.C.; Feiner, F.

1995-09-01

Technical papers accepted for presentation at the Seventh International Topical Meeting on Nuclear Reactor Thermal-Hydraulics are included in the present Proceedings. Except for the invited papers in the plenary session, all other papers are contributed papers. The topics of the meeting encompass all major areas of nuclear thermal-hydraulics, including analytical and experimental works on the fundamental mechanisms of fluid flow and heat transfer, the development of advanced mathematical and numerical methods, and the application of advancements in the field in the development of novel reactor concepts. Because of the complex nature of nuclear reactors and power plants, several papers dealmore » with the combined issues of thermal-hydraulics and reactor/power-plant safety, core neutronics and/or radiation. The participation in the conference by the authors from several countries and four continents makes the Proceedings a comprehensive review of the recent progress in the field of nuclear reactor thermal-hydraulics worldwide. Individual papers have been cataloged separately.« less

Structural characterization of constituents with molecular diversity in fractions from Lysidice brevicalyx by liquid chromatography/diode-array detection/electrospray ionization tandem mass spectrometry and liquid chromatography/nuclear magnetic resonance.

PubMed

Qu, Jing; Hu, You-cai; Li, Jian-bei; Wang, Ying-hong; Zhang, Jin-lan; Abliz, Zeper; Yu, Shi-shan; Liu, Yun-bao

2008-01-01

A combination of electrospray ionization tandem mass spectrometry with high-performance liquid chromatography (HPLC/ESI-MSn), and hyphenation of liquid chromatography to nuclear magnetic resonance spectroscopy (HPLC/NMR), have been extensively utilized for on-line analysis of natural products, analyzing metabolite and drug impurity. In our last paper, we reported an on-line analytical method for structural identification of trace alkaloids in the same class. However, the structural types of the constituents in plants were various, such as flavanoids, terpenoids and steroids. It is important to establish an effective analytical method for on-line structural identification of constituents with molecular diversity in extracts of plants. So, in the present study, the fragmentation patterns of some isolated stilbenes, phloroglucinols and flavanoids from Lysidice rhodostegia were investigated by ESI-MSn. Their fragmentation rules and UV characteristics are summarized, and the relationship between the spectral characteristics, rules and the structures is described. According to the fragmentation rules, NMR and UV spectral characteristics, 24 constituents of different types in the fractions from L. brevicalyx of the same genus were structurally characterized on the basis of HPLC/HRMS, HPLC-UV/ESI-MSn, HPLC/1H NMR and HPLC/1H-1H COSY rapidly. Of these, six (10, 13, 14, 16, 17 and 23) are new compounds and all of them are reported from L. brevicalyx for the first time. The aim is to develop an effective analytical method for on-line structural identification of natural products with molecular diversity in plants, and to guide the rapid and direct isolation of novel compounds by chemical screening.

Analytical methods in sphingolipidomics: Quantitative and profiling approaches in food analysis.

PubMed

Canela, Núria; Herrero, Pol; Mariné, Sílvia; Nadal, Pedro; Ras, Maria Rosa; Rodríguez, Miguel Ángel; Arola, Lluís

2016-01-08

In recent years, sphingolipidomics has emerged as an interesting omic science that encompasses the study of the full sphingolipidome characterization, content, structure and activity in cells, tissues or organisms. Like other omics, it has the potential to impact biomarker discovery, drug development and systems biology knowledge. Concretely, dietary food sphingolipids have gained considerable importance due to their extensively reported bioactivity. Because of the complexity of this lipid family and their diversity among foods, powerful analytical methodologies are needed for their study. The analytical tools developed in the past have been improved with the enormous advances made in recent years in mass spectrometry (MS) and chromatography, which allow the convenient and sensitive identification and quantitation of sphingolipid classes and form the basis of current sphingolipidomics methodologies. In addition, novel hyphenated nuclear magnetic resonance (NMR) strategies, new ionization strategies, and MS imaging are outlined as promising technologies to shape the future of sphingolipid analyses. This review traces the analytical methods of sphingolipidomics in food analysis concerning sample extraction, chromatographic separation, the identification and quantification of sphingolipids by MS and their structural elucidation by NMR. Copyright © 2015 Elsevier B.V. All rights reserved.

Highly selective detection of individual nuclear spins with rotary echo on an electron spin probe

DOE PAGES

Mkhitaryan, V. V.; Jelezko, F.; Dobrovitski, V. V.

2015-10-26

We consider an electronic spin, such as a nitrogen-vacancy center in diamond, weakly coupled to a large number of nuclear spins, and subjected to the Rabi driving with a periodically alternating phase. We show that by switching the driving phase synchronously with the precession of a given nuclear spin, the interaction to this spin is selectively enhanced, while the rest of the bath remains decoupled. The enhancement is of resonant character. The key feature of the suggested scheme is that the width of the resonance is adjustable, and can be greatly decreased by increasing the driving strength. Thus, the resonancemore » can be significantly narrowed, by a factor of 10–100 in comparison with the existing detection methods. Significant improvement in selectivity is explained analytically and confirmed by direct numerical many-spin simulations. As a result, the method can be applied to a wide range of solid-state systems.« less

Mobile laboratories: An innovative and efficient solution for radiological characterization of sites under or after decommissioning.

PubMed

Goudeau, V; Daniel, B; Dubot, D

2017-04-21

During the operation and the decommissioning of a nuclear site the operator must assure the protection of the workers and the environment. It must furthermore identify and classify the various wastes, while optimizing the associated costs. At all stages of the decommissioning radiological measurements are performed to determine the initial situation, to monitor the demolition and clean-up, and to verify the final situation. Radiochemical analysis is crucial for the radiological evaluation process to optimize the clean-up operations and to the respect limits defined with the authorities. Even though these types of analysis are omnipresent in activities such as the exploitation, the monitoring, and the cleaning up of nuclear plants, some nuclear sites do not have their own radiochemical analysis laboratory. Mobile facilities can overcome this lack when nuclear facilities are dismantled, when contaminated sites are cleaned-up, or in a post-accident situation. The current operations for the characterization of radiological soils of CEA nuclear facilities, lead to a large increase of radiochemical analysis. To manage this high throughput of samples in a timely manner, the CEA has developed a new mobile laboratory for the clean-up of its soils, called SMaRT (Shelter for Monitoring and nucleAR chemisTry). This laboratory is dedicated to the preparation and the radiochemical analysis (alpha, beta, and gamma) of potentially contaminated samples. In this framework, CEA and Eichrom laboratories has signed a partnership agreement to extend the analytical capacities and bring on site optimized and validated methods for different problematic. Gamma-emitting radionuclides can usually be measured in situ as little or no sample preparation is required. Alpha and beta-emitting radionuclides are a different matter. Analytical chemistry laboratory facilities are required. Mobile and transportable laboratories equipped with the necessary tools can provide all that is needed. The main advantage of a mobile laboratory is its portability; the shelter can be placed in the vicinity of nuclear facilities under decommissioning, or of contaminated sites with infrastructures unsuitable for the reception and treatment of radioactive samples. Radiological analysis can then be performed without the disadvantages of radioactive material transport. This paper describes how this solution allows a fast response and control of costs, with a high analytical capacity. Copyright © 2017 Elsevier Ltd. All rights reserved.

Assessment of higher order structure comparability in therapeutic proteins using nuclear magnetic resonance spectroscopy.

PubMed

Amezcua, Carlos A; Szabo, Christina M

2013-06-01

In this work, we applied nuclear magnetic resonance (NMR) spectroscopy to rapidly assess higher order structure (HOS) comparability in protein samples. Using a variation of the NMR fingerprinting approach described by Panjwani et al. [2010. J Pharm Sci 99(8):3334-3342], three nonglycosylated proteins spanning a molecular weight range of 6.5-67 kDa were analyzed. A simple statistical method termed easy comparability of HOS by NMR (ECHOS-NMR) was developed. In this method, HOS similarity between two samples is measured via the correlation coefficient derived from linear regression analysis of binned NMR spectra. Applications of this method include HOS comparability assessment during new product development, manufacturing process changes, supplier changes, next-generation products, and the development of biosimilars to name just a few. We foresee ECHOS-NMR becoming a routine technique applied to comparability exercises used to complement data from other analytical techniques. Copyright © 2013 Wiley Periodicals, Inc.

An algebraic program for the states associated with the U(5) ⊃ O(5) ⊃ O(3) chain of groups

NASA Astrophysics Data System (ADS)

Yannouleas, C.; Pacheco, J. M.

1988-12-01

A REDUCE program is presented that calculates algebraically the γ-dependent part of the states associated with the U(5) ⊃ O(5) ⊃ O(3) chain of groups, familiar from nuclear-structure problems. The method of solution is a direct implementation of the analytic expressions given by Chacón and Moshinsky.

Chemical Transport in a Fissured Rock: Verification of a Numerical Model

NASA Astrophysics Data System (ADS)

Rasmuson, A.; Narasimhan, T. N.; Neretnieks, I.

1982-10-01

Numerical models for simulating chemical transport in fissured rocks constitute powerful tools for evaluating the acceptability of geological nuclear waste repositories. Due to the very long-term, high toxicity of some nuclear waste products, the models are required to predict, in certain cases, the spatial and temporal distribution of chemical concentration less than 0.001% of the concentration released from the repository. Whether numerical models can provide such accuracies is a major question addressed in the present work. To this end we have verified a numerical model, TRUMP, which solves the advective diffusion equation in general three dimensions, with or without decay and source terms. The method is based on an integrated finite difference approach. The model was verified against known analytic solution of the one-dimensional advection-diffusion problem, as well as the problem of advection-diffusion in a system of parallel fractures separated by spherical particles. The studies show that as long as the magnitude of advectance is equal to or less than that of conductance for the closed surface bounding any volume element in the region (that is, numerical Peclet number <2), the numerical method can indeed match the analytic solution within errors of ±10-3% or less. The realistic input parameters used in the sample calculations suggest that such a range of Peclet numbers is indeed likely to characterize deep groundwater systems in granitic and ancient argillaceous systems. Thus TRUMP in its present form does provide a viable tool for use in nuclear waste evaluation studies. A sensitivity analysis based on the analytic solution suggests that the errors in prediction introduced due to uncertainties in input parameters are likely to be larger than the computational inaccuracies introduced by the numerical model. Currently, a disadvantage in the TRUMP model is that the iterative method of solving the set of simultaneous equations is rather slow when time constants vary widely over the flow region. Although the iterative solution may be very desirable for large three-dimensional problems in order to minimize computer storage, it seems desirable to use a direct solver technique in conjunction with the mixed explicit-implicit approach whenever possible. Work in this direction is in progress.

Overview of the 2014 Edition of the International Handbook of Evaluated Reactor Physics Benchmark Experiments (IRPhEP Handbook)

DOE Office of Scientific and Technical Information (OSTI.GOV)

John D. Bess; J. Blair Briggs; Jim Gulliford

2014-10-01

The International Reactor Physics Experiment Evaluation Project (IRPhEP) is a widely recognized world class program. The work of the IRPhEP is documented in the International Handbook of Evaluated Reactor Physics Benchmark Experiments (IRPhEP Handbook). Integral data from the IRPhEP Handbook is used by reactor safety and design, nuclear data, criticality safety, and analytical methods development specialists, worldwide, to perform necessary validations of their calculational techniques. The IRPhEP Handbook is among the most frequently quoted reference in the nuclear industry and is expected to be a valuable resource for future decades.

General method of solving the Schroedinger equation of atoms and molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakatsuji, Hiroshi

2005-12-15

We propose a general method of solving the Schroedinger equation of atoms and molecules. We first construct the wave function having the exact structure, using the ICI (iterative configuration or complement interaction) method and then optimize the variables involved by the variational principle. Based on the scaled Schroedinger equation and related principles, we can avoid the singularity problem of atoms and molecules and formulate a general method of calculating the exact wave functions in an analytical expansion form. We choose initial function {psi}{sub 0} and scaling g function, and then the ICI method automatically generates the wave function that hasmore » the exact structure by using the Hamiltonian of the system. The Hamiltonian contains all the information of the system. The free ICI method provides a flexible and variationally favorable procedure of constructing the exact wave function. We explain the computational procedure of the analytical ICI method routinely performed in our laboratory. Simple examples are given using hydrogen atom for the nuclear singularity case, the Hooke's atom for the electron singularity case, and the helium atom for both cases.« less

Promyelocytic Leukemia (Pml) Nuclear Bodies Are Protein Structures That Do Not Accumulate RNA

PubMed Central

Boisvert, François-Michel; Hendzel, Michael J.; Bazett-Jones, David P.

2000-01-01

The promyelocytic leukemia (PML) nuclear body (also referred to as ND10, POD, and Kr body) is involved in oncogenesis and viral infection. This subnuclear domain has been reported to be rich in RNA and a site of nascent RNA synthesis, implicating its direct involvement in the regulation of gene expression. We used an analytical transmission electron microscopic method to determine the structure and composition of PML nuclear bodies and the surrounding nucleoplasm. Electron spectroscopic imaging (ESI) demonstrates that the core of the PML nuclear body is a dense, protein-based structure, 250 nm in diameter, which does not contain detectable nucleic acid. Although PML nuclear bodies contain neither chromatin nor nascent RNA, newly synthesized RNA is associated with the periphery of the PML nuclear body, and is found within the chromatin-depleted region of the nucleoplasm immediately surrounding the core of the PML nuclear body. We further show that the RNA does not accumulate in the protein core of the structure. Our results dismiss the hypothesis that the PML nuclear body is a site of transcription, but support the model in which the PML nuclear body may contribute to the formation of a favorable nuclear environment for the expression of specific genes. PMID:10648561

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses.

PubMed

Miglierini, Marcel B; Procházka, Vít; Vrba, Vlastimil; Švec, Peter; Janičkovič, Dušan; Matúš, Peter

2018-06-07

We demonstrate the use of two nuclear-based analytical methods that can follow the modifications of microstructural arrangement of iron-based metallic glasses (MGs). Despite their amorphous nature, the identification of hyperfine interactions unveils faint structural modifications. For this purpose, we have employed two techniques that utilize nuclear resonance among nuclear levels of a stable 57 Fe isotope, namely Mössbauer spectrometry and nuclear forward scattering (NFS) of synchrotron radiation. The effects of heat treatment upon (Fe2.85Co1)77Mo8Cu1B14 MG are discussed using the results of ex situ and in situ experiments, respectively. As both methods are sensitive to hyperfine interactions, information on structural arrangement as well as on magnetic microstructure is readily available. Mössbauer spectrometry performed ex situ describes how the structural arrangement and magnetic microstructure appears at room temperature after the annealing under certain conditions (temperature, time), and thus this technique inspects steady states. On the other hand, NFS data are recorded in situ during dynamically changing temperature and NFS examines transient states. The use of both techniques provides complementary information. In general, they can be applied to any suitable system in which it is important to know its steady state but also transient states.

Electrochemical concentration measurements for multianalyte mixtures in simulated electrorefiner salt

NASA Astrophysics Data System (ADS)

Rappleye, Devin Spencer

The development of electroanalytical techniques in multianalyte molten salt mixtures, such as those found in used nuclear fuel electrorefiners, would enable in situ, real-time concentration measurements. Such measurements are beneficial for process monitoring, optimization and control, as well as for international safeguards and nuclear material accountancy. Electroanalytical work in molten salts has been limited to single-analyte mixtures with a few exceptions. This work builds upon the knowledge of molten salt electrochemistry by performing electrochemical measurements on molten eutectic LiCl-KCl salt mixture containing two analytes, developing techniques for quantitatively analyzing the measured signals even with an additional signal from another analyte, correlating signals to concentration and identifying improvements in experimental and analytical methodologies. (Abstract shortened by ProQuest.).

NUCLEAR CHEMISTRY ANNUAL REPORT 1970

DOE Office of Scientific and Technical Information (OSTI.GOV)

Authors, Various

Papers are presented for the following topics: (1) Nuclear Structure and Nuclear Properties - (a) Nuclear Spectroscopy and Radioactivity; (b) Nuclear Reactions and Scattering; (c) Nuclear Theory; and (d) Fission. (2) Chemical and Atomic Physics - (a) Atomic and Molecular Spectroscopy; and (b) Hyperfine Interactions. (3) Physical, Inorganic, and Analytical Chemistry - (a) X-Ray Crystallography; (b) Physical and Inorganic Chemistry; (c) Radiation Chemistry; and (d) Chemical Engineering. (4) Instrumentation and Systems Development.

Chemical Technology Division, Annual technical report, 1991

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1992-03-01

Highlights of the Chemical Technology (CMT) Division's activities during 1991 are presented. In this period, CMT conducted research and development in the following areas: (1) electrochemical technology, including advanced batteries and fuel cells; (2) technology for fluidized-bed combustion and coal-fired magnetohydrodynamics; (3) methods for treatment of hazardous and mixed hazardous/radioactive waste; (4) the reaction of nuclear waste glass and spent fuel under conditions expected for an unsaturated repository; (5) processes for separating and recovering transuranic elements from nuclear waste streams; (6) recovery processes for discharged fuel and the uranium blanket in the Integral Fast Reactor (IFR); (7) processes for removalmore » of actinides in spent fuel from commercial water-cooled nuclear reactors and burnup in IFRs; and (8) physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also conducts basic research in catalytic chemistry associated with molecular energy resources; chemistry of superconducting oxides and other materials of interest with technological application; interfacial processes of importance to corrosion science, catalysis, and high-temperature superconductivity; and the geochemical processes involved in water-rock interactions occurring in active hydrothermal systems. In addition, the Analytical Chemistry Laboratory in CMT provides a broad range of analytical chemistry support services to the technical programs at Argonne National Laboratory (ANL).« less

Chemical Technology Division, Annual technical report, 1991

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1992-03-01

Highlights of the Chemical Technology (CMT) Division`s activities during 1991 are presented. In this period, CMT conducted research and development in the following areas: (1) electrochemical technology, including advanced batteries and fuel cells; (2) technology for fluidized-bed combustion and coal-fired magnetohydrodynamics; (3) methods for treatment of hazardous and mixed hazardous/radioactive waste; (4) the reaction of nuclear waste glass and spent fuel under conditions expected for an unsaturated repository; (5) processes for separating and recovering transuranic elements from nuclear waste streams; (6) recovery processes for discharged fuel and the uranium blanket in the Integral Fast Reactor (IFR); (7) processes for removalmore » of actinides in spent fuel from commercial water-cooled nuclear reactors and burnup in IFRs; and (8) physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also conducts basic research in catalytic chemistry associated with molecular energy resources; chemistry of superconducting oxides and other materials of interest with technological application; interfacial processes of importance to corrosion science, catalysis, and high-temperature superconductivity; and the geochemical processes involved in water-rock interactions occurring in active hydrothermal systems. In addition, the Analytical Chemistry Laboratory in CMT provides a broad range of analytical chemistry support services to the technical programs at Argonne National Laboratory (ANL).« less

Seamless Digital Environment – Data Analytics Use Case Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oxstrand, Johanna

Multiple research efforts in the U.S Department of Energy Light Water Reactor Sustainability (LWRS) Program studies the need and design of an underlying architecture to support the increased amount and use of data in the nuclear power plant. More specifically the three LWRS research efforts; Digital Architecture for an Automated Plant, Automated Work Packages, Computer-Based Procedures for Field Workers, and the Online Monitoring efforts all have identified the need for a digital architecture and more importantly the need for a Seamless Digital Environment (SDE). A SDE provides a mean to access multiple applications, gather the data points needed, conduct themore » analysis requested, and present the result to the user with minimal or no effort by the user. During the 2016 annual Nuclear Information Technology Strategic Leadership (NITSL) group meeting the nuclear utilities identified the need for research focused on data analytics. The effort was to develop and evaluate use cases for data mining and analytics for employing information from plant sensors and database for use in developing improved business analytics. The goal of the study is to research potential approaches to building an analytics solution for equipment reliability, on a small scale, focusing on either a single piece of equipment or a single system. The analytics solution will likely consist of a data integration layer, predictive and machine learning layer and the user interface layer that will display the output of the analysis in a straight forward, easy to consume manner. This report describes the use case study initiated by NITSL and conducted in a collaboration between Idaho National Laboratory, Arizona Public Service – Palo Verde Nuclear Generating Station, and NextAxiom Inc.« less

Analytical Chemistry Division annual progress report for period ending November 30, 1977

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lyon, W.S.

1978-03-01

Activities for the year are summarized in sections on analytical methodology, mass and mass emission spectrometry, analytical services, bio-organic analysis, nuclear and radiochemical analysis, and quality assurance and safety. Presentations of research results in publications and reports are tabulated. (JRD)

Microfluidic-Based Robotic Sampling System for Radioactive Solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jack D. Law; Julia L. Tripp; Tara E. Smith

A novel microfluidic based robotic sampling system has been developed for sampling and analysis of liquid solutions in nuclear processes. This system couples the use of a microfluidic sample chip with a robotic system designed to allow remote, automated sampling of process solutions in-cell and facilitates direct coupling of the microfluidic sample chip with analytical instrumentation. This system provides the capability for near real time analysis, reduces analytical waste, and minimizes the potential for personnel exposure associated with traditional sampling methods. A prototype sampling system was designed, built and tested. System testing demonstrated operability of the microfluidic based sample systemmore » and identified system modifications to optimize performance.« less

An introduction to NMR-based approaches for measuring protein dynamics

PubMed Central

Kleckner, Ian R; Foster, Mark P

2010-01-01

Proteins are inherently flexible at ambient temperature. At equilibrium, they are characterized by a set of conformations that undergo continuous exchange within a hierarchy of spatial and temporal scales ranging from nanometers to micrometers and femtoseconds to hours. Dynamic properties of proteins are essential for describing the structural bases of their biological functions including catalysis, binding, regulation and cellular structure. Nuclear magnetic resonance (NMR) spectroscopy represents a powerful technique for measuring these essential features of proteins. Here we provide an introduction to NMR-based approaches for studying protein dynamics, highlighting eight distinct methods with recent examples, contextualized within a common experimental and analytical framework. The selected methods are (1) Real-time NMR, (2) Exchange spectroscopy, (3) Lineshape analysis, (4) CPMG relaxation dispersion, (5) Rotating frame relaxation dispersion, (6) Nuclear spin relaxation, (7) Residual dipolar coupling, (8) Paramagnetic relaxation enhancement. PMID:21059410

Deposition of RuO 4 on various surfaces in a nuclear reactor containment

NASA Astrophysics Data System (ADS)

Holm, Joachim; Glänneskog, Henrik; Ekberg, Christian

2009-07-01

During a severe nuclear reactor accident with air ingress, ruthenium can be released from the nuclear fuel in the form of ruthenium tetroxide. Hence, it is important to investigate how the reactor containment is able to reduce the source term of ruthenium. The aim of this work was to investigate the deposition of gaseous ruthenium tetroxide on aluminium, copper and zinc, which all appear in relatively large amounts in reactor containment. The experiments show that ruthenium tetroxide is deposited on all the metal surfaces, especially on the copper and zinc surfaces. A large deposition of ruthenium tetroxide also appeared on the relatively inert glass surfaces in the experimental set-ups. The analyses of the different surfaces, with several analytical methods, showed that the form of deposited ruthenium was mainly ruthenium dioxide.

Analytical method for nitroaromatic explosives in radiologically contaminated soil for ISO/IEC 17025 accreditation

DOE PAGES

Boggess, Andrew; Crump, Stephen; Gregory, Clint; ...

2017-12-06

Here, unique hazards are presented in the analysis of radiologically contaminated samples. Strenuous safety and security precautions must be in place to protect the analyst, laboratory, and instrumentation used to perform analyses. A validated method has been optimized for the analysis of select nitroaromatic explosives and degradative products using gas chromatography/mass spectrometry via sonication extraction of radiologically contaminated soils, for samples requiring ISO/IEC 17025 laboratory conformance. Target analytes included 2-nitrotoluene, 4-nitrotoluene, 2,6-dinitrotoluene, and 2,4,6-trinitrotoluene, as well as the degradative product 4-amino-2,6-dinitrotoluene. Analytes were extracted from soil in methylene chloride by sonication. Administrative and engineering controls, as well as instrument automationmore » and quality control measures, were utilized to minimize potential human exposure to radiation at all times and at all stages of analysis, from receiving through disposition. Though thermal instability increased uncertainties of these selected compounds, a mean lower quantitative limit of 2.37 µg/mL and mean accuracy of 2.3% relative error and 3.1% relative standard deviation were achieved. Quadratic regression was found to be optimal for calibration of all analytes, with compounds of lower hydrophobicity displaying greater parabolic curve. Blind proficiency testing (PT) of spiked soil samples demonstrated a mean relative error of 9.8%. Matrix spiked analyses of PT samples demonstrated that 99% recovery of target analytes was achieved. To the knowledge of the authors, this represents the first safe, accurate, and reproducible quantitative method for nitroaromatic explosives in soil for specific use on radiologically contaminated samples within the constraints of a nuclear analytical lab.« less

Analytical method for nitroaromatic explosives in radiologically contaminated soil for ISO/IEC 17025 accreditation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boggess, Andrew; Crump, Stephen; Gregory, Clint

Here, unique hazards are presented in the analysis of radiologically contaminated samples. Strenuous safety and security precautions must be in place to protect the analyst, laboratory, and instrumentation used to perform analyses. A validated method has been optimized for the analysis of select nitroaromatic explosives and degradative products using gas chromatography/mass spectrometry via sonication extraction of radiologically contaminated soils, for samples requiring ISO/IEC 17025 laboratory conformance. Target analytes included 2-nitrotoluene, 4-nitrotoluene, 2,6-dinitrotoluene, and 2,4,6-trinitrotoluene, as well as the degradative product 4-amino-2,6-dinitrotoluene. Analytes were extracted from soil in methylene chloride by sonication. Administrative and engineering controls, as well as instrument automationmore » and quality control measures, were utilized to minimize potential human exposure to radiation at all times and at all stages of analysis, from receiving through disposition. Though thermal instability increased uncertainties of these selected compounds, a mean lower quantitative limit of 2.37 µg/mL and mean accuracy of 2.3% relative error and 3.1% relative standard deviation were achieved. Quadratic regression was found to be optimal for calibration of all analytes, with compounds of lower hydrophobicity displaying greater parabolic curve. Blind proficiency testing (PT) of spiked soil samples demonstrated a mean relative error of 9.8%. Matrix spiked analyses of PT samples demonstrated that 99% recovery of target analytes was achieved. To the knowledge of the authors, this represents the first safe, accurate, and reproducible quantitative method for nitroaromatic explosives in soil for specific use on radiologically contaminated samples within the constraints of a nuclear analytical lab.« less

Certified reference materials and reference methods for nuclear safeguards and security.

PubMed

Jakopič, R; Sturm, M; Kraiem, M; Richter, S; Aregbe, Y

2013-11-01

Confidence in comparability and reliability of measurement results in nuclear material and environmental sample analysis are established via certified reference materials (CRMs), reference measurements, and inter-laboratory comparisons (ILCs). Increased needs for quality control tools in proliferation resistance, environmental sample analysis, development of measurement capabilities over the years and progress in modern analytical techniques are the main reasons for the development of new reference materials and reference methods for nuclear safeguards and security. The Institute for Reference Materials and Measurements (IRMM) prepares and certifices large quantities of the so-called "large-sized dried" (LSD) spikes for accurate measurement of the uranium and plutonium content in dissolved nuclear fuel solutions by isotope dilution mass spectrometry (IDMS) and also develops particle reference materials applied for the detection of nuclear signatures in environmental samples. IRMM is currently replacing some of its exhausted stocks of CRMs with new ones whose specifications are up-to-date and tailored for the demands of modern analytical techniques. Some of the existing materials will be re-measured to improve the uncertainties associated with their certified values, and to enable laboratories to reduce their combined measurement uncertainty. Safeguards involve the quantitative verification by independent measurements so that no nuclear material is diverted from its intended peaceful use. Safeguards authorities pay particular attention to plutonium and the uranium isotope (235)U, indicating the so-called 'enrichment', in nuclear material and in environmental samples. In addition to the verification of the major ratios, n((235)U)/n((238)U) and n((240)Pu)/n((239)Pu), the minor ratios of the less abundant uranium and plutonium isotopes contain valuable information about the origin and the 'history' of material used for commercial or possibly clandestine purposes, and have therefore reached high level of attention for safeguards authorities. Furthermore, IRMM initiated and coordinated the development of a Modified Total Evaporation (MTE) technique for accurate abundance ratio measurements of the "minor" isotope-amount ratios of uranium and plutonium in nuclear material and, in combination with a multi-dynamic measurement technique and filament carburization, in environmental samples. Currently IRMM is engaged in a study on the development of plutonium reference materials for "age dating", i.e. determination of the time elapsed since the last separation of plutonium from its daughter nuclides. The decay of a radioactive parent isotope and the build-up of a corresponding amount of daughter nuclide serve as chronometer to calculate the age of a nuclear material. There are no such certified reference materials available yet. Copyright © 2013 Elsevier Ltd. All rights reserved.

Sensitivity enhancement by chromatographic peak concentration with ultra-high performance liquid chromatography-nuclear magnetic resonance spectroscopy for minor impurity analysis.

PubMed

Tokunaga, Takashi; Akagi, Ken-Ichi; Okamoto, Masahiko

2017-07-28

High performance liquid chromatography can be coupled with nuclear magnetic resonance (NMR) spectroscopy to give a powerful analytical method known as liquid chromatography-nuclear magnetic resonance (LC-NMR) spectroscopy, which can be used to determine the chemical structures of the components of complex mixtures. However, intrinsic limitations in the sensitivity of NMR spectroscopy have restricted the scope of this procedure, and resolving these limitations remains a critical problem for analysis. In this study, we coupled ultra-high performance liquid chromatography (UHPLC) with NMR to give a simple and versatile analytical method with higher sensitivity than conventional LC-NMR. UHPLC separation enabled the concentration of individual peaks to give a volume similar to that of the NMR flow cell, thereby maximizing the sensitivity to the theoretical upper limit. The UHPLC concentration of compound peaks present at typical impurity levels (5.0-13.1 nmol) in a mixture led to at most three-fold increase in the signal-to-noise ratio compared with LC-NMR. Furthermore, we demonstrated the use of UHPLC-NMR for obtaining structural information of a minor impurity in a reaction mixture in actual laboratory-scale development of a synthetic process. Using UHPLC-NMR, the experimental run times for chromatography and NMR were greatly reduced compared with LC-NMR. UHPLC-NMR successfully overcomes the difficulties associated with analyses of minor components in a complex mixture by LC-NMR, which are problematic even when an ultra-high field magnet and cryogenic probe are used. Copyright © 2017 Elsevier B.V. All rights reserved.

Analytical mass formula and nuclear surface properties in the ETF approximation. Part II: asymmetric nuclei

NASA Astrophysics Data System (ADS)

Aymard, François; Gulminelli, Francesca; Margueron, Jérôme

2016-08-01

We have recently addressed the problem of the determination of the nuclear surface energy for symmetric nuclei in the framework of the extended Thomas-Fermi (ETF) approximation using Skyrme functionals. We presently extend this formalism to the case of asymmetric nuclei and the question of the surface symmetry energy. We propose an approximate expression for the diffuseness and the surface energy. These quantities are analytically related to the parameters of the energy functional. In particular, the influence of the different equation of state parameters can be explicitly quantified. Detailed analyses of the different energy components (local/non-local, isoscalar/isovector, surface/curvature and higher order) are also performed. Our analytical solution of the ETF integral improves previous models and leads to a precision of better than 200 keV per nucleon in the determination of the nuclear binding energy for dripline nuclei.

Analytical Applications of NMR: Summer Symposium on Analytical Chemistry.

ERIC Educational Resources Information Center

Borman, Stuart A.

1982-01-01

Highlights a symposium on analytical applications of nuclear magnetic resonance spectroscopy (NMR), discussing pulse Fourier transformation technique, two-dimensional NMR, solid state NMR, and multinuclear NMR. Includes description of ORACLE, an NMR data processing system at Syracuse University using real-time color graphics, and algorithms for…

FIER: Software for analytical modeling of delayed gamma-ray spectra

NASA Astrophysics Data System (ADS)

Matthews, E. F.; Goldblum, B. L.; Bernstein, L. A.; Quiter, B. J.; Brown, J. A.; Younes, W.; Burke, J. T.; Padgett, S. W.; Ressler, J. J.; Tonchev, A. P.

2018-05-01

A new software package, the Fission Induced Electromagnetic Response (FIER) code, has been developed to analytically predict delayed γ-ray spectra following fission. FIER uses evaluated nuclear data and solutions to the Bateman equations to calculate the time-dependent populations of fission products and their decay daughters resulting from irradiation of a fissionable isotope. These populations are then used in the calculation of γ-ray emission rates to obtain the corresponding delayed γ-ray spectra. FIER output was compared to experimental data obtained by irradiation of a 235U sample in the Godiva critical assembly. This investigation illuminated discrepancies in the input nuclear data libraries, showcasing the usefulness of FIER as a tool to address nuclear data deficiencies through comparison with experimental data. FIER provides traceability between γ-ray emissions and their contributing nuclear species, decay chains, and parent fission fragments, yielding a new capability for the nuclear science community.

75 FR 8147 - Notice of Consideration of Amendment Request for Decommissioning of Analytical Bio-Chemistry...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-23

... NUCLEAR REGULATORY COMMISSION [Docket No. 030-05154; NRC-2010-0056] Notice of Consideration of Amendment Request for Decommissioning of Analytical Bio-Chemistry Laboratories, Inc. Sanitary Lagoon... license amendment to Byproduct Material License No. 24- 13365-01 issued to Analytical Bio-Chemistry...

Sun, Ocean, Nuclear Bombs, and Fossil Fuels: Radiocarbon Variations and Implications for High-Resolution Dating

NASA Astrophysics Data System (ADS)

Dutta, Koushik

2016-06-01

Radiocarbon, or 14C, is a radiometric dating method ideally suited for providing a chronological framework in archaeology and geosciences for timescales spanning the last 50,000 years. 14C is easily detectable in most common natural organic materials and has a half-life (5,730±40 years) relevant to these timescales. 14C produced from large-scale detonations of nuclear bombs between the 1950s and the early 1960s can be used for dating modern organic materials formed after the 1950s. Often these studies demand high-resolution chronology to resolve ages within a few decades to less than a few years. Despite developments in modern, high-precision 14C analytical methods, the applicability of 14C in high-resolution chronology is limited by short-term variations in atmospheric 14C in the past. This article reviews the roles of the principal natural drivers (e.g., solar magnetic activity and ocean circulation) and the anthropogenic perturbations (e.g., fossil fuel CO2 and 14C from nuclear and thermonuclear bombs) that are responsible for short-term 14C variations in the environment. Methods and challenges of high-resolution 14C dating are discussed.

Rapid extraction and assay of uranium from environmental surface samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barrett, Christopher A.; Chouyyok, Wilaiwan; Speakman, Robert J.

Extraction methods enabling faster removal and concentration of uranium compounds for improved trace and low-level assay are demonstrated for standard surface sampling material in support of nuclear safeguards efforts, health monitoring, and other nuclear analysis applications. A key problem with the existing surface sampling swipes is the requirement for complete digestion of sample and sampling matrix. This is a time-consuming and labour-intensive process that limits laboratory throughput, elevates costs, and increases background levels. Various extraction methods are explored for their potential to quickly and efficiently remove different chemical forms of uranium from standard surface sampling material. A combination of carbonatemore » and peroxide solutions is shown to give the most rapid and complete form of uranyl compound extraction and dissolution. This rapid extraction process is demonstrated to be compatible with standard inductive coupled plasma mass spectrometry methods for uranium isotopic assay as well as screening techniques such as x-ray fluorescence. The general approach described has application beyond uranium to other analytes of nuclear forensic interest (e.g., rare earth elements and plutonium) as well as heavy metals for environmental and industrial hygiene monitoring.« less

Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thomas, Robert E.; Overy, Catherine; Opalka, Daniel

Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, “replica” ensemble of walkers, whose population evolves in imaginary time independently from the first and which entails only modest additional computational overheads. The matrices obtained from this approach are shown to be representative of full configuration-interaction quality and hence provide a realistic opportunity to achieve high-quality results for a range of properties whose operators do not necessarily commute with the Hamiltonian. A density-matrix formulated quasi-variational energy estimator having been already proposed and investigated, themore » present work extends the scope of the theory to take in studies of analytic nuclear forces, molecular dipole moments, and polarisabilities, with extensive comparison to exact results where possible. These new results confirm the suitability of the sampling technique and, where sufficiently large basis sets are available, achieve close agreement with experimental values, expanding the scope of the method to new areas of investigation.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oxstrand, Johanna; Bly, Aaron

The U.S Department of Energy Light Water Reactor Sustainability (LWRS) Program initiated research in to what is needed in order to provide a roadmap or model for Nuclear Power Plants to reference when building an architecture that can support the growing data supply and demand flowing through their networks. The Digital Architecture project published report Digital Architecture Planning Model (Oxstrand et. al, 2016) discusses things to consider when building an architecture to support the increasing needs and demands of data throughout the plant. Once the plant is able to support the data demands it still needs to be able tomore » provide the data in an easy, quick and reliable method. A common method is to create a “one stop shop” application that a user can go to get all the data they need. The creation of this leads to the need of creating a Seamless Digital Environment (SDE) to integrate all the “siloed” data. An SDE is the desired perception that should be presented to users by gathering the data from any data source (e.g., legacy applications and work management systems) without effort by the user. The goal for FY16 was to complete a feasibility study for data mining and analytics for employing information from computer-based procedures enabled technologies for use in developing improved business analytics. The research team collaborated with multiple organizations to identify use cases or scenarios, which could be beneficial to investigate in a feasibility study. Many interesting potential use cases were identified throughout the FY16 activity. Unfortunately, due to factors out of the research team’s control, none of the studies were initiated this year. However, the insights gained and the relationships built with both PVNGS and NextAxiom will be valuable when moving forward with future research. During the 2016 annual Nuclear Information Technology Strategic Leadership (NITSL) group meeting it was identified would be very beneficial to the industry to support a research effort focused on data analytics. It was suggested that the effort would develop and evaluate use cases for data mining and analytics for employing information from plant sensors and database for use in developing improved business analytics.« less

Determination and identification of synthetic cannabinoids and their metabolites in different matrices by modern analytical techniques - a review.

PubMed

Znaleziona, Joanna; Ginterová, Pavlína; Petr, Jan; Ondra, Peter; Válka, Ivo; Ševčík, Juraj; Chrastina, Jan; Maier, Vítězslav

2015-05-18

Synthetic cannabinoids have gained popularity due to their easy accessibility and psychoactive effects. Furthermore, they cannot be detected in urine by routine drug monitoring. The wide range of active ingredients in analyzed matrices hinders the development of a standard analytical method for their determination. Moreover, their possible side effects are not well known which increases the danger. This review is focused on the sample preparation and the determination of synthetic cannabinoids in different matrices (serum, urine, herbal blends, oral fluid, hair) published since 2004. The review includes separation and identification techniques, such as thin layer chromatography, gas and liquid chromatography and capillary electrophoresis, mostly coupled with mass spectrometry. The review also includes results by spectral methods like infrared spectroscopy, nuclear magnetic resonance or direct-injection mass spectrometry. Copyright © 2015 Elsevier B.V. All rights reserved.

Analysis of short-chain fatty acids in human feces: A scoping review.

PubMed

Primec, Maša; Mičetić-Turk, Dušanka; Langerholc, Tomaž

2017-06-01

Short-chain fatty acids (SCFAs) play a crucial role in maintaining homeostasis in humans, therefore the importance of a good and reliable SCFAs analytical detection has raised a lot in the past few years. The aim of this scoping review is to show the trends in the development of different methods of SCFAs analysis in feces, based on the literature published in the last eleven years in all major indexing databases. The search criteria included analytical quantification techniques of SCFAs in different human clinical and in vivo studies. SCFAs analysis is still predominantly performed using gas chromatography (GC), followed by high performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR) and capillary electrophoresis (CE). Performances, drawbacks and advantages of these methods are discussed, especially in the light of choosing a proper pretreatment, as feces is a complex biological material. Further optimization to develop a simple, cost effective and robust method for routine use is needed. Copyright © 2017 Elsevier Inc. All rights reserved.

Analysis of the extracts of Isatis tinctoria by new analytical approaches of HPLC, MS and NMR.

PubMed

Zhou, Jue; Qu, Fan

2011-01-01

The methods of extraction, separation and analysis of alkaloids and indole glucosinolates (GLs) ofIsatis tinctoria were reviewed. Different analytical approaches such as High-pressure Liquid Chromatography (HPLC), Liquid Chromatography with Electrospray Ionization Mass Spectrometry (LC/ESI/MS), Electrospray Ionization Time-Of-Flight Mass Spectrometry (ESI-TOF-MS), and Nuclear Magnetic Resonance (NMR) were used to validate and identity of these constituents. These methods provide rapid separation, identification and quantitative measurements of alkaloids and GLs of Isatis tinctoria. By connection with different detectors to HPLC such as PDA, ELSD, ESI- and APCI-MS in positive and negative ion modes, complicated compounds could be detected with at least two independent detection modes. The molecular formula can be derived in a second step of ESI-TOF-MS data. But for some constituents, UV and MS cannot provide sufficient structure identification. After peak purification, NMR by semi-preparative HPLC can be used as a complementary method.

Lead Slowing-Down Spectrometry Time Spectral Analysis for Spent Fuel Assay: FY11 Status Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kulisek, Jonathan A.; Anderson, Kevin K.; Bowyer, Sonya M.

2011-09-30

Developing a method for the accurate, direct, and independent assay of the fissile isotopes in bulk materials (such as used fuel) from next-generation domestic nuclear fuel cycles is a goal of the Office of Nuclear Energy, Fuel Cycle R&D, Material Protection and Control Technology (MPACT) Campaign. To meet this goal, MPACT supports a multi-institutional collaboration, of which PNNL is a part, to study the feasibility of Lead Slowing Down Spectroscopy (LSDS). This technique is an active nondestructive assay method that has the potential to provide independent, direct measurement of Pu and U isotopic masses in used fuel with an uncertaintymore » considerably lower than the approximately 10% typical of today's confirmatory assay methods. This document is a progress report for FY2011 PNNL analysis and algorithm development. Progress made by PNNL in FY2011 continues to indicate the promise of LSDS analysis and algorithms applied to used fuel. PNNL developed an empirical model based on calibration of the LSDS to responses generated from well-characterized used fuel. The empirical model, which accounts for self-shielding effects using empirical basis vectors calculated from the singular value decomposition (SVD) of a matrix containing the true self-shielding functions of the used fuel assembly models. The potential for the direct and independent assay of the sum of the masses of 239Pu and 241Pu to within approximately 3% over a wide used fuel parameter space was demonstrated. Also, in FY2011, PNNL continued to develop an analytical model. Such efforts included the addition of six more non-fissile absorbers in the analytical shielding function and the non-uniformity of the neutron flux across the LSDS assay chamber. A hybrid analytical-empirical approach was developed to determine the mass of total Pu (sum of the masses of 239Pu, 240Pu, and 241Pu), which is an important quantity in safeguards. Results using this hybrid method were of approximately the same accuracy as the pure empirical approach. In addition, total Pu with much better accuracy with the hybrid approach than the pure analytical approach. In FY2012, PNNL will continue efforts to optimize its empirical model and minimize its reliance on calibration data. In addition, PNNL will continue to develop an analytical model, considering effects such as neutron-scattering in the fuel and cladding, as well as neutrons streaming through gaps between fuel pins in the fuel assembly.« less

Boundary Electron and Beta Dosimetry-Quantification of the Effects of Dissimilar Media on Absorbed Dose

NASA Astrophysics Data System (ADS)

Nunes, Josane C.

1991-02-01

This work quantifies the changes effected in electron absorbed dose to a soft-tissue equivalent medium when part of this medium is replaced by a material that is not soft -tissue equivalent. That is, heterogeneous dosimetry is addressed. Radionuclides which emit beta particles are the electron sources of primary interest. They are used in brachytherapy and in nuclear medicine: for example, beta -ray applicators made with strontium-90 are employed in certain ophthalmic treatments and iodine-131 is used to test thyroid function. More recent medical procedures under development and which involve beta radionuclides include radioimmunotherapy and radiation synovectomy; the first is a cancer modality and the second deals with the treatment of rheumatoid arthritis. In addition, the possibility of skin surface contamination exists whenever there is handling of radioactive material. Determination of absorbed doses in the examples of the preceding paragraph requires considering boundaries of interfaces. Whilst the Monte Carlo method can be applied to boundary calculations, for routine work such as in clinical situations, or in other circumstances where doses need to be determined quickly, analytical dosimetry would be invaluable. Unfortunately, few analytical methods for boundary beta dosimetry exist. Furthermore, the accuracy of results from both Monte Carlo and analytical methods has to be assessed. Although restricted to one radionuclide, phosphorus -32, the experimental data obtained in this work serve several purposes, one of which is to provide standards against which calculated results can be tested. The experimental data also contribute to the relatively sparse set of published boundary dosimetry data. At the same time, they may be useful in developing analytical boundary dosimetry methodology. The first application of the experimental data is demonstrated. Results from two Monte Carlo codes and two analytical methods, which were developed elsewhere, are compared with experimental data. Monte Carlo results compare satisfactory with experimental results for the boundaries considered. The agreement with experimental results for air interfaces is of particular interest because of discrepancies reported previously by another investigator who used data obtained from a different experimental technique. Results from one of the analytical methods differ significantly from the experimental data obtained here. The second analytical method provided data which approximate experimental results to within 30%. This is encouraging but it remains to be determined whether this method performs equally well for other source energies.

Nuclear Forensics and Attribution: A National Laboratory Perspective

NASA Astrophysics Data System (ADS)

Hall, Howard L.

2008-04-01

Current capabilities in technical nuclear forensics - the extraction of information from nuclear and/or radiological materials to support the attribution of a nuclear incident to material sources, transit routes, and ultimately perpetrator identity - derive largely from three sources: nuclear weapons testing and surveillance programs of the Cold War, advances in analytical chemistry and materials characterization techniques, and abilities to perform ``conventional'' forensics (e.g., fingerprints) on radiologically contaminated items. Leveraging that scientific infrastructure has provided a baseline capability to the nation, but we are only beginning to explore the scientific challenges that stand between today's capabilities and tomorrow's requirements. These scientific challenges include radically rethinking radioanalytical chemistry approaches, developing rapidly deployable sampling and analysis systems for field applications, and improving analytical instrumentation. Coupled with the ability to measure a signature faster or more exquisitely, we must also develop the ability to interpret those signatures for meaning. This requires understanding of the physics and chemistry of nuclear materials processes well beyond our current level - especially since we are unlikely to ever have direct access to all potential sources of nuclear threat materials.

DOE research and development report. Progress report, October 1980-September 1981

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bingham, Carleton D.

The DOE New Brunswick Laboratory (NBL) is the US Government's Nuclear Materials Standards and Measurement Laboratory. NBL is assigned the mission to provide and maintain, as an essential part of federal statutory responsibilities related to national and international safeguards of nuclear materials for USA defense and energy programs, an ongoing capability for: the development, preparation, certification, and distribution of reference materials for the calibration and standardization of nuclear materials measurements; the development, improvement, and evaluation of nuclear materials measurement technology; the assessment and evaluation of the practice and application of nuclear materials measurement technology; expert and reliable specialized nuclear materialsmore » measurement services for the government; and technology exchange and training in nuclear materials measurement and standards. Progress reports for this fiscal year are presented under the following sections: (1) development or evaluation of measurement technology (elemental assay of uranium plutonium; isotope composition); (2) standards and reference materials (NBL standards and reference materials; NBS reference materials); and (3) evaluation programs (safeguards analytical laboratory evaluation; general analytical evaluation program; other evaluation programs).« less

Random sampling and validation of covariance matrices of resonance parameters

NASA Astrophysics Data System (ADS)

Plevnik, Lucijan; Zerovnik, Gašper

2017-09-01

Analytically exact methods for random sampling of arbitrary correlated parameters are presented. Emphasis is given on one hand on the possible inconsistencies in the covariance data, concentrating on the positive semi-definiteness and consistent sampling of correlated inherently positive parameters, and on the other hand on optimization of the implementation of the methods itself. The methods have been applied in the program ENDSAM, written in the Fortran language, which from a file from a nuclear data library of a chosen isotope in ENDF-6 format produces an arbitrary number of new files in ENDF-6 format which contain values of random samples of resonance parameters (in accordance with corresponding covariance matrices) in places of original values. The source code for the program ENDSAM is available from the OECD/NEA Data Bank. The program works in the following steps: reads resonance parameters and their covariance data from nuclear data library, checks whether the covariance data is consistent, and produces random samples of resonance parameters. The code has been validated with both realistic and artificial data to show that the produced samples are statistically consistent. Additionally, the code was used to validate covariance data in existing nuclear data libraries. A list of inconsistencies, observed in covariance data of resonance parameters in ENDF-VII.1, JEFF-3.2 and JENDL-4.0 is presented. For now, the work has been limited to resonance parameters, however the methods presented are general and can in principle be extended to sampling and validation of any nuclear data.

Seamless Digital Environment – Plan for Data Analytics Use Case Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oxstrand, Johanna Helene; Bly, Aaron Douglas

The U.S Department of Energy Light Water Reactor Sustainability (LWRS) Program initiated research in to what is needed in order to provide a roadmap or model for Nuclear Power Plants to reference when building an architecture that can support the growing data supply and demand flowing through their networks. The Digital Architecture project published report Digital Architecture Planning Model (Oxstrand et. al, 2016) discusses things to consider when building an architecture to support the increasing needs and demands of data throughout the plant. Once the plant is able to support the data demands it still needs to be able tomore » provide the data in an easy, quick and reliable method. A common method is to create a “one stop shop” application that a user can go to get all the data they need. The creation of this leads to the need of creating a Seamless Digital Environment (SDE) to integrate all the “siloed” data. An SDE is the desired perception that should be presented to users by gathering the data from any data source (e.g., legacy applications and work management systems) without effort by the user. The goal for FY16 was to complete a feasibility study for data mining and analytics for employing information from computer-based procedures enabled technologies for use in developing improved business analytics. The research team collaborated with multiple organizations to identify use cases or scenarios, which could be beneficial to investigate in a feasibility study. Many interesting potential use cases were identified throughout the FY16 activity. Unfortunately, due to factors out of the research team’s control, none of the studies were initiated this year. However, the insights gained and the relationships built with both PVNGS and NextAxiom will be valuable when moving forward with future research. During the 2016 annual Nuclear Information Technology Strategic Leadership (NITSL) group meeting it was identified would be very beneficial to the industry to support a research effort focused on data analytics. It was suggested that the effort would develop and evaluate use cases for data mining and analytics for employing information from plant sensors and database for use in developing improved business analytics.« less

Religious attitudes toward nuclear energy: an analysis of statements by religious groups

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, J.A. III

This dissertation analyzes selected responses of religious groups to the question, Should society increase or decrease its reliance on energy produced by nuclear fission and for what reasons. The primary sources, dating from 1974 until mid-1980, are 82 official or semi-official statements and study documents of religious groups and 17 shareholder resolutions filed by religious groups. The groups are primarily from the United States, Canada, and Great Britain or related to the World Council of Churches. The thesis of the study is that a fully adequate religious statement about nuclear energy would show awareness of and deal with the questionsmore » raised in the analytical framework. Using that framework, there are few, if any, adequate religious statements about nuclear energy. A typology of ethical modes in Chapter V describes five positions: polemical anti-nuclear, dialogical anti-nuclear, dialogical middle, dialogical pro-nuclear, and polemical pro-nuclear. The bias of the study is to maintain open and rational discourse with all perspectives rather than to take a position for or against nuclear energy. The study primarily analyzes how religious groups deal with one complex social issue, nuclear energy, but the analytical framework has broad application to a variety of social issues as treated by religious groups.« less

Analytical mass formula and nuclear surface properties in the ETF approximation. Part I: symmetric nuclei

NASA Astrophysics Data System (ADS)

Aymard, François; Gulminelli, Francesca; Margueron, Jérôme

2016-08-01

The problem of determination of nuclear surface energy is addressed within the framework of the extended Thomas Fermi (ETF) approximation using Skyrme functionals. We propose an analytical model for the density profiles with variationally determined diffuseness parameters. In this first paper, we consider the case of symmetric nuclei. In this situation, the ETF functional can be exactly integrated, leading to an analytical formula expressing the surface energy as a function of the couplings of the energy functional. The importance of non-local terms is stressed and it is shown that they cannot be deduced simply from the local part of the functional, as it was suggested in previous works.

Numerical determination of lateral loss coefficients for subchannel analysis in nuclear fuel bundles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sin Kim; Goon-Cherl Park

1995-09-01

An accurate prediction of cross-flow based on detailed knowledge of the velocity field in subchannels of a nuclear fuel assembly is of importance in nuclear fuel performance analysis. In this study, the low-Reynolds number {kappa}-{epsilon} turbulence model has been adopted in two adjacent subchannels with cross-flow. The secondary flow is estimated accurately by the anisotropic algebraic Reynolds stress model. This model was numerically calculated by the finite element method and has been verified successfully through comparison with existing experimental data. Finally, with the numerical analysis of the velocity field in such subchannel domain, an analytical correlation of the lateral lossmore » coefficient is obtained to predict the cross-flow rate in subchannel analysis codes. The correlation is expressed as a function of the ratio of the lateral flow velocity to the donor subchannel axial velocity, recipient channel Reynolds number and pitch-to-diameter.« less

Nuclear inertia and the decay modes of superheavy nuclei

NASA Astrophysics Data System (ADS)

Poenaru, D. N.; Gherghescu, R. A.; Greiner, Walter

2013-10-01

Superheavy nuclei produced up to now decay mainly by α emission and spontaneous fission. For atomic numbers larger than 121 cluster decay has a good chance to compete. While calculated α decay half-lives are in agreement with experimental data within one order of magnitude and cluster decay experiments are also very well accounted for, the discrepancy between theory and experiment can be as high as ten orders of magnitude for spontaneous fission. We analyze some ways of improving the accuracy: using a semiempirical formula for α decay and changing the parameters of analytical superasymmetric fission and of the universal curve for cluster decay. For spontaneous fission we act on nuclear dynamics based on potential barriers computed by the macroscopic-microscopic method and employing various nuclear inertia variation laws. Applications are illustrated for 284Cn and Z = 118-124 even-even parent nuclei. Communicated by Steffen Bass

Population morbidity in the Zaporizhzhia Nuclear Power Plant observation zone as an integral part of public health.

PubMed

Khomenko, I M; Zakladna, N V; Orlova, N M

2017-12-01

To evaluate the health status of adult population living in the Ukrainian nuclear power industry obser vation zone on the example of Zaporizhzhia Nuclear Power Plant. System review, analytic, sociological survey and statistical methods. There was established an increase in the incidence of digestive diseases among adult population in Nikopol of Dnipropetrovsk region, which is included in the Zaporizhzhia NPP observation zone. The highest increase was observed in the incidence of peptic ulcer, gastritis and duodenitis, cholecystitis and cholangitis by 340 %, 305 % and 83 %, respectively. In connection with the residence in industrially developed region and NPP life extension in Ukraine, the possible influence of harmful factors on health status of the population of observation zones, an increase in the incidence of digestive diseases among adult population, there is required continuous monitoring and detailed study of public health. I. M. Khomenko, N. V. Zakladna, N. M. Orlova.

Parahydrogen-enhanced zero-field nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Theis, T.; Ganssle, P.; Kervern, G.; Knappe, S.; Kitching, J.; Ledbetter, M. P.; Budker, D.; Pines, A.

2011-07-01

Nuclear magnetic resonance, conventionally detected in magnetic fields of several tesla, is a powerful analytical tool for the determination of molecular identity, structure and function. With the advent of prepolarization methods and detection schemes using atomic magnetometers or superconducting quantum interference devices, interest in NMR in fields comparable to the Earth's magnetic field and below (down to zero field) has been revived. Despite the use of superconducting quantum interference devices or atomic magnetometers, low-field NMR typically suffers from low sensitivity compared with conventional high-field NMR. Here we demonstrate direct detection of zero-field NMR signals generated through parahydrogen-induced polarization, enabling high-resolution NMR without the use of any magnets. The sensitivity is sufficient to observe spectra exhibiting 13C-1H scalar nuclear spin-spin couplings (known as J couplings) in compounds with 13C in natural abundance, without the need for signal averaging. The resulting spectra show distinct features that aid chemical fingerprinting.

Wide-range nuclear magnetic resonance detector

NASA Technical Reports Server (NTRS)

Sturman, J. C.; Jirberg, R. J.

1972-01-01

Compact and easy to use solid state nuclear magnetic resonance detector is designed for measuring field strength to 20 teslas in cryogenically cooled magnets. Extremely low noise and high sensitivity make detector applicable to nearly all types of analytical nuclear magnetic resonance measurements and can be used in high temperature and radiation environments.

Recording 2-D Nutation NQR Spectra by Random Sampling Method

PubMed Central

Sinyavsky, Nikolaj; Jadzyn, Maciej; Ostafin, Michal; Nogaj, Boleslaw

2010-01-01

The method of random sampling was introduced for the first time in the nutation nuclear quadrupole resonance (NQR) spectroscopy where the nutation spectra show characteristic singularities in the form of shoulders. The analytic formulae for complex two-dimensional (2-D) nutation NQR spectra (I = 3/2) were obtained and the condition for resolving the spectral singularities for small values of an asymmetry parameter η was determined. Our results show that the method of random sampling of a nutation interferogram allows significant reduction of time required to perform a 2-D nutation experiment and does not worsen the spectral resolution. PMID:20949121

Solvent signal suppression for high-resolution MAS-DNP

NASA Astrophysics Data System (ADS)

Lee, Daniel; Chaudhari, Sachin R.; De Paëpe, Gaël

2017-05-01

Dynamic nuclear polarization (DNP) has become a powerful tool to substantially increase the sensitivity of high-field magic angle spinning (MAS) solid-state NMR experiments. The addition of dissolved hyperpolarizing agents usually results in the presence of solvent signals that can overlap and obscure those of interest from the analyte. Here, two methods are proposed to suppress DNP solvent signals: a Forced Echo Dephasing experiment (FEDex) and TRAnsfer of Populations in DOuble Resonance Echo Dephasing (TRAPDORED) NMR. These methods reintroduce a heteronuclear dipolar interaction that is specific to the solvent, thereby forcing a dephasing of recoupled solvent spins and leaving acquired NMR spectra free of associated resonance overlap with the analyte. The potency of these methods is demonstrated on sample types common to MAS-DNP experiments, namely a frozen solution (of L-proline) and a powdered solid (progesterone), both containing deuterated glycerol as a DNP solvent. The proposed methods are efficient, simple to implement, compatible with other NMR experiments, and extendable past spectral editing for just DNP solvents. The sensitivity gains from MAS-DNP in conjunction with FEDex or TRAPDORED then permits rapid and uninterrupted sample analysis.

Chemical Technology Division annual technical report, 1992

DOE Office of Scientific and Technical Information (OSTI.GOV)

Battles, J.E.; Myles, K.M.; Laidler, J.J.

1993-06-01

In this period, CMT conducted research and development in the following areas: (1) electrochemical technology, including advanced batteries and fuel cells; (2) technology for fluidized-bed combustion and coal-fired magnetohydrodynamics; (3) methods for treatment of hazardous waste, mixed hazardous/radioactive waste, and municipal solid waste; (4) the reaction of nuclear waste glass and spent fuel under conditions expected for an unsaturated repository; (5) processes for separating and recovering transuranic elements from nuclear waste streams, treating water contaminated with volatile organics, and concentrating radioactive waste streams; (6) recovery processes for discharged fuel and the uranium blanket in the Integral Fast Reactor (EFR); (7)more » processes for removal of actinides in spent fuel from commercial water-cooled nuclear reactors and burnup in IFRs; and (8) physical chemistry of selected materials (corium; Fe-U-Zr, tritium in LiAlO{sub 2} in environments simulating those of fission and fusion energy systems. The Division also conducts basic research in catalytic chemistry associated with molecular energy resources and novel` ceramic precursors; materials chemistry of superconducting oxides, electrified metal/solution interfaces, and molecular sieve structures; and the geochemical processes involved in water-rock interactions occurring in active hydrothermal systems. In addition, the Analytical Chemistry Laboratory in CMT provides a broad range of analytical chemistry support services to the technical programs at Argonne National Laboratory (ANL).« less

Radiostrontium accumulation in animal bones: development of a radiochemical method by ultra low-level liquid scintillation counting for its quantification.

PubMed

Iammarino, Marco; Dell'Oro, Daniela; Bortone, Nicola; Mangiacotti, Michele; Chiaravalle, Antonio Eugenio

2018-03-31

Strontium-90 (90Sr) is a fission product, resulting from the use of uranium and plutonium in nuclear reactors and weapons. Consequently, it may be found in the environment as a consequence of nuclear fallouts, nuclear weapon testing, and not correct waste management. When present in the environment, strontium-90 may be taken into animal body by drinking water, eating food, or breathing air. The primary health effects are bone tumors and tumors of the blood-cell forming organs, due to beta particles emitted by both 90Sr and yttrium-90 (90Y). Moreover, another health concern is represented by inhibition of calcification and bone deformities in animals. Actually, radiometric methods for the determination of 90Sr in animal bones are lacking. This article describers a radiochemical method for the determination of 90Sr in animal bones, by ultra low-level liquid scintillation counting. The method precision and trueness have been demonstrated through validation tests (CV% = 12.4%; mean recovery = 98.4%). Detection limit and decision threshold corresponding to 8 and 3 mBecquerel (Bq) kg-1, respectively, represent another strong point of this analytical procedure. This new radiochemical method permits the selective extraction of 90Sr, without interferences, and it is suitable for radiocontamination surveillance programs, and it is also an improvement with respect to food safety controls.

Application of modern autoradiography to nuclear forensic analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parsons-Davis, Tashi; Knight, Kim; Fitzgerald, Marc

Modern autoradiography techniques based on phosphorimaging technology using image plates (IPs) and digital scanning can identify heterogeneities in activity distributions and reveal material properties, serving to inform subsequent analyses. Here, we have adopted these advantages for applications in nuclear forensics, the technical analysis of radioactive or nuclear materials found outside of legal control to provide data related to provenance, production history, and trafficking route for the materials. IP autoradiography is a relatively simple, non-destructive method for sample characterization that records an image reflecting the relative intensity of alpha and beta emissions from a two-dimensional surface. Such data are complementary tomore » information gathered from radiochemical characterization via bulk counting techniques, and can guide the application of other spatially resolved techniques such as scanning electron microscopy (SEM) and secondary ion mass spectrometry (SIMS). IP autoradiography can image large 2-dimenstional areas (up to 20 × 40 cm), with relatively low detection limits for actinides and other radioactive nuclides, and sensitivity to a wide dynamic range (10 5) of activity density in a single image. Distributions of radioactivity in nuclear materials can be generated with a spatial resolution of approximately 50 μm using IP autoradiography and digital scanning. While the finest grain silver halide films still provide the best possible resolution (down to ~10 μm), IP autoradiography has distinct practical advantages such as shorter exposure times, no chemical post-processing, reusability, rapid plate scanning, and automated image digitization. Sample preparation requirements are minimal, and the analytical method does not consume or alter the sample. These advantages make IP autoradiography ideal for routine screening of nuclear materials, and for the identification of areas of interest for subsequent micro-characterization methods. Here in this article we present a summary of our setup, as modified for nuclear forensic sample analysis and related research, and provide examples of data from select samples from the nuclear fuel cycle and historical nuclear test debris.« less

Application of modern autoradiography to nuclear forensic analysis

DOE PAGES

Parsons-Davis, Tashi; Knight, Kim; Fitzgerald, Marc; ...

2018-05-20

Modern autoradiography techniques based on phosphorimaging technology using image plates (IPs) and digital scanning can identify heterogeneities in activity distributions and reveal material properties, serving to inform subsequent analyses. Here, we have adopted these advantages for applications in nuclear forensics, the technical analysis of radioactive or nuclear materials found outside of legal control to provide data related to provenance, production history, and trafficking route for the materials. IP autoradiography is a relatively simple, non-destructive method for sample characterization that records an image reflecting the relative intensity of alpha and beta emissions from a two-dimensional surface. Such data are complementary tomore » information gathered from radiochemical characterization via bulk counting techniques, and can guide the application of other spatially resolved techniques such as scanning electron microscopy (SEM) and secondary ion mass spectrometry (SIMS). IP autoradiography can image large 2-dimenstional areas (up to 20 × 40 cm), with relatively low detection limits for actinides and other radioactive nuclides, and sensitivity to a wide dynamic range (10 5) of activity density in a single image. Distributions of radioactivity in nuclear materials can be generated with a spatial resolution of approximately 50 μm using IP autoradiography and digital scanning. While the finest grain silver halide films still provide the best possible resolution (down to ~10 μm), IP autoradiography has distinct practical advantages such as shorter exposure times, no chemical post-processing, reusability, rapid plate scanning, and automated image digitization. Sample preparation requirements are minimal, and the analytical method does not consume or alter the sample. These advantages make IP autoradiography ideal for routine screening of nuclear materials, and for the identification of areas of interest for subsequent micro-characterization methods. Here in this article we present a summary of our setup, as modified for nuclear forensic sample analysis and related research, and provide examples of data from select samples from the nuclear fuel cycle and historical nuclear test debris.« less

Application of modern autoradiography to nuclear forensic analysis.

PubMed

Parsons-Davis, Tashi; Knight, Kim; Fitzgerald, Marc; Stone, Gary; Caldeira, Lee; Ramon, Christina; Kristo, Michael

2018-05-01

Modern autoradiography techniques based on phosphorimaging technology using image plates (IPs) and digital scanning can identify heterogeneities in activity distributions and reveal material properties, serving to inform subsequent analyses. Here, we have adopted these advantages for applications in nuclear forensics, the technical analysis of radioactive or nuclear materials found outside of legal control to provide data related to provenance, production history, and trafficking route for the materials. IP autoradiography is a relatively simple, non-destructive method for sample characterization that records an image reflecting the relative intensity of alpha and beta emissions from a two-dimensional surface. Such data are complementary to information gathered from radiochemical characterization via bulk counting techniques, and can guide the application of other spatially resolved techniques such as scanning electron microscopy (SEM) and secondary ion mass spectrometry (SIMS). IP autoradiography can image large 2-dimenstional areas (up to 20×40cm), with relatively low detection limits for actinides and other radioactive nuclides, and sensitivity to a wide dynamic range (10 5 ) of activity density in a single image. Distributions of radioactivity in nuclear materials can be generated with a spatial resolution of approximately 50μm using IP autoradiography and digital scanning. While the finest grain silver halide films still provide the best possible resolution (down to ∼10μm), IP autoradiography has distinct practical advantages such as shorter exposure times, no chemical post-processing, reusability, rapid plate scanning, and automated image digitization. Sample preparation requirements are minimal, and the analytical method does not consume or alter the sample. These advantages make IP autoradiography ideal for routine screening of nuclear materials, and for the identification of areas of interest for subsequent micro-characterization methods. In this paper we present a summary of our setup, as modified for nuclear forensic sample analysis and related research, and provide examples of data from select samples from the nuclear fuel cycle and historical nuclear test debris. Copyright © 2018 Elsevier B.V. All rights reserved.

Chemical transport in a fissured rock: Verification of a numerical model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rasmuson, A.; Narasimhan, T. N.; Neretnieks, I.

1982-10-01

Numerical models for simulating chemical transport in fissured rocks constitute powerful tools for evaluating the acceptability of geological nuclear waste repositories. Due to the very long-term, high toxicity of some nuclear waste products, the models are required to predict, in certain cases, the spatial and temporal distribution of chemical concentration less than 0.001% of the concentration released from the repository. Whether numerical models can provide such accuracies is a major question addressed in the present work. To this end, we have verified a numerical model, TRUMP, which solves the advective diffusion equation in general three dimensions with or without decaymore » and source terms. The method is based on an integrated finite-difference approach. The model was verified against known analytic solution of the one-dimensional advection-diffusion problem as well as the problem of advection-diffusion in a system of parallel fractures separated by spherical particles. The studies show that as long as the magnitude of advectance is equal to or less than that of conductance for the closed surface bounding any volume element in the region (that is, numerical Peclet number <2), the numerical method can indeed match the analytic solution within errors of ±10{sup -3} % or less. The realistic input parameters used in the sample calculations suggest that such a range of Peclet numbers is indeed likely to characterize deep groundwater systems in granitic and ancient argillaceous systems. Thus TRUMP in its present form does provide a viable tool for use in nuclear waste evaluation studies. A sensitivity analysis based on the analytic solution suggests that the errors in prediction introduced due to uncertainties in input parameters is likely to be larger than the computational inaccuracies introduced by the numerical model. Currently, a disadvantage in the TRUMP model is that the iterative method of solving the set of simultaneous equations is rather slow when time constants vary widely over the flow region. Although the iterative solution may be very desirable for large three-dimensional problems in order to minimize computer storage, it seems desirable to use a direct solver technique in conjunction with the mixed explicit-implicit approach whenever possible. work in this direction is in progress.« less

Application of the first collision source method to CSNS target station shielding calculation

NASA Astrophysics Data System (ADS)

Zheng, Ying; Zhang, Bin; Chen, Meng-Teng; Zhang, Liang; Cao, Bo; Chen, Yi-Xue; Yin, Wen; Liang, Tian-Jiao

2016-04-01

Ray effects are an inherent problem of the discrete ordinates method. RAY3D, a functional module of ARES, which is a discrete ordinates code system, employs a semi-analytic first collision source method to mitigate ray effects. This method decomposes the flux into uncollided and collided components, and then calculates them with an analytical method and discrete ordinates method respectively. In this article, RAY3D is validated by the Kobayashi benchmarks and applied to the neutron beamline shielding problem of China Spallation Neutron Source (CSNS) target station. The numerical results of the Kobayashi benchmarks indicate that the solutions of DONTRAN3D with RAY3D agree well with the Monte Carlo solutions. The dose rate at the end of the neutron beamline is less than 10.83 μSv/h in the CSNS target station neutron beamline shutter model. RAY3D can effectively mitigate the ray effects and obtain relatively reasonable results. Supported by Major National S&T Specific Program of Large Advanced Pressurized Water Reactor Nuclear Power Plant (2011ZX06004-007), National Natural Science Foundation of China (11505059, 11575061), and the Fundamental Research Funds for the Central Universities (13QN34).

Molecular properties of excited electronic state: Formalism, implementation, and applications of analytical second energy derivatives within the framework of the time-dependent density functional theory/molecular mechanics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeng, Qiao; Liang, WanZhen, E-mail: liangwz@xmu.edu.cn; Liu, Jie

2014-05-14

This work extends our previous works [J. Liu and W. Z. Liang, J. Chem. Phys. 135, 014113 (2011); J. Liu and W. Z. Liang, J. Chem. Phys. 135, 184111 (2011)] on analytical excited-state energy Hessian within the framework of time-dependent density functional theory (TDDFT) to couple with molecular mechanics (MM). The formalism, implementation, and applications of analytical first and second energy derivatives of TDDFT/MM excited state with respect to the nuclear and electric perturbations are presented. Their performances are demonstrated by the calculations of adiabatic excitation energies, and excited-state geometries, harmonic vibrational frequencies, and infrared intensities for a number ofmore » benchmark systems. The consistent results with the full quantum mechanical method and other hybrid theoretical methods indicate the reliability of the current numerical implementation of developed algorithms. The computational accuracy and efficiency of the current analytical approach are also checked and the computational efficient strategies are suggested to speed up the calculations of complex systems with many MM degrees of freedom. Finally, we apply the current analytical approach in TDDFT/MM to a realistic system, a red fluorescent protein chromophore together with part of its nearby protein matrix. The calculated results indicate that the rearrangement of the hydrogen bond interactions between the chromophore and the protein matrix is responsible for the large Stokes shift.« less

Nuclear chemistry. Annual report, 1974

DOE Office of Scientific and Technical Information (OSTI.GOV)

Conzett, H.E.; Edelstein, N.M.; Tsang, C.F.

1975-07-01

The 1974 Nuclear Chemistry Annual Report contains information on research in the following areas: nuclear science (nuclear spectroscopy and radioactivity, nuclear reactions and scattering, nuclear theory); chemical and atomic physics (heavy ion-induced atomic reactions, atomic and molecular spectroscopy, photoelectron spectroscopy and hyperfine interactions); physical, inorganic, and analytical chemistry (x-ray crystallography, physical and inorganic chemistry, geochemistry); and instrumentation. Thesis abstracts, 1974 publication titles, and an author index are also included. Papers having a significant amount of information are listed separately by title. (RWR)

Define and Quantify the Physics of Air Flow, Pressure Drop and Aerosol Collection in Nuclear Grade HEPA Filters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moore, Murray E.

Objective: Develop a set of peer-review and verified analytical methods to adjust HEPA filter performance to different flow rates, temperatures and altitudes. Experimental testing will measure HEPA filter flow rate, pressure drop and efficiency to verify the analytical approach. Nuclear facilities utilize HEPA (High Efficiency Particulate Air) filters to purify air flow for workspace ventilation. However, the ASME AG-1 technical standard (Code on Nuclear Air and Gas Treatment) does not adequately describe air flow measurement units for HEPA filter systems. Specifically, the AG-1 standard does not differentiate between volumetric air flow in ACFM (actual cubic feet per minute)compared to massmore » flow measured in SCFM (standard cubic feet per minute). More importantly, the AG-1 standard has an overall deficiency for using HEPA filter devices at different air flow rates, temperatures, and altitudes. Technical Approach: The collection efficiency and pressure drops of 18 different HEPA filters will be measured over a range of flow rates, temperatures and altitudes. The experimental results will be compared to analytical scoping calculations. Three manufacturers have allocated six HEPA filters each for this effort. The 18 filters will be tested at two different flow rates, two different temperatures and two different altitudes. The 36 total tests will be conducted at two different facilities: the ATI Test facilities (Baltimore MD) and the Los Alamos National Laboratory (Los Alamos NM). The Radiation Protection RP-SVS group at Los Alamos has an aerosol wind tunnel that was originally designed to evaluate small air samplers. In 2010, modifications were started to convert the wind tunnel for HEPA filter testing. (Extensive changes were necessary for the required aerosol generators, HEPA test fixtures, temperature control devices and measurement capabilities.) To this date, none of these modification activities have been funded through a specific DOE or NNSA program. This is expected to require six months of time, after receipt of funding. Benefits: US DOE facilities that use HEPA filters will benefit from access to the new operational measurement methods. Uncertainty and guesswork will be removed from HEPA filter operations.« less

Livermore Accelerator Source for Radionuclide Science (LASRS)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, Scott; Bleuel, Darren; Johnson, Micah

The Livermore Accelerator Source for Radionuclide Science (LASRS) will generate intense photon and neutron beams to address important gaps in the study of radionuclide science that directly impact Stockpile Stewardship, Nuclear Forensics, and Nuclear Material Detection. The co-location of MeV-scale neutral and photon sources with radiochemical analytics provides a unique facility to meet current and future challenges in nuclear security and nuclear science.

Nonperturbative methods in HZE ion transport

NASA Technical Reports Server (NTRS)

Wilson, John W.; Badavi, Francis F.; Costen, Robert C.; Shinn, Judy L.

1993-01-01

A nonperturbative analytic solution of the high charge and energy (HZE) Green's function is used to implement a computer code for laboratory ion beam transport. The code is established to operate on the Langley Research Center nuclear fragmentation model used in engineering applications. Computational procedures are established to generate linear energy transfer (LET) distributions for a specified ion beam and target for comparison with experimental measurements. The code is highly efficient and compares well with the perturbation approximations.

In-situ removal and characterisation of uranium-containing particles from sediments surrounding the Fukushima Daiichi Nuclear Power Plant

NASA Astrophysics Data System (ADS)

Martin, P. G.; Griffiths, I.; Jones, C. P.; Stitt, C. A.; Davies-Milner, M.; Mosselmans, J. F. W.; Yamashiki, Y.; Richards, D. A.; Scott, T. B.

2016-03-01

Traditional methods to locate and subsequently study radioactive fallout particles have focused heavily on autoradiography coupled with in-situ analytical techniques. Presented here is the application of a Variable Pressure Scanning Electron Microscope with both backscattered electron and energy dispersive spectroscopy detectors, along with a micromanipulator setup and electron-hardening adhesive to isolate and remove individual particles before synchrotron radiation analysis. This system allows for a greater range of new and existing analytical techniques, at increased detail and speed, to be applied to the material. Using this method, it was possible to erform detailed energy dispersive spectroscopy and synchrotron radiation characterisation of material likely ejected from the Fukushima Daiichi Nuclear Power Plant found within a sediment sample collected from the edge of the 30 km exclusion zone. Particulate material sub-micron in maximum dimension examined during this work via energy dispersive spectroscopy was observed to contain uranium at levels between 19.68 and 28.35 weight percent, with the application of synchrotron radiation spectroscopy confirming its presence as a major constituent. With great effort and cost being devoted to the remediation of significant areas of eastern Japan affected by the incident, it is crucial to gain the greatest possible understanding of the nature of this contamination in order to inform the most appropriate clean-up response.

Electromagnetic Pulse Excitation of Finite-Long Dissipative Conductors over a Conducting Ground Plane in the Time Domain

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campione, Salvatore; Warne, Larry K.; Schiek, Richard

2017-09-01

This report details the modeling results for the response of a finite-length dissipative conductor interacting with a conducting ground to a hypothetical nuclear device with the same output energy spectrum as the Fat Man device. We use a time-domain method based on transmission line theory that allows accounting for time-varying air conductivities. We implemented such method in a code we call ATLOG - Analytic Transmission Line Over Ground. Results are compared the frequency-domain version of ATLOG previously developed and to the circuit simulator Xyce in some instances. Intentionally Left Blank

A theoretical study of alpha star populations in loaded nuclear emulsions

USGS Publications Warehouse

Senftle, F.E.; Farley, T.A.; Stieff, L.R.

1954-01-01

This theoretical study of the alpha star populations in loaded emulsions was undertaken in an effort to find a quantitative method for the analysis of less than microgram amounts of thorium in the presence of larger amounts of uranium. Analytical expressions for each type of star from each of the significantly contributing members of the uranium and thorium series as well as summation formulas for the whole series have been computed. The analysis for thorium may be made by determining the abundance of five-branched stars in a loaded nuclear emulsion and comparing of observed and predicted star populations. The comparison may also be used to check the half-lives of several members of the uranium and thorium series. ?? 1954.

Interviewing a Silent (Radioactive) Witness through Nuclear Forensic Analysis.

PubMed

Mayer, Klaus; Wallenius, Maria; Varga, Zsolt

2015-12-01

Nuclear forensics is a relatively young discipline in science which aims at providing information on nuclear material of unknown origin. The determination of characteristic parameters through tailored analytical techniques enables establishing linkages to the material's processing history and hence provides hints on its place and date of production and on the intended use.

Model Analytical Development for Physical, Chemical, and Biological Characterization of Momordica charantia Vegetable Drug

PubMed Central

Guimarães, Geovani Pereira; Santos, Ravely Lucena; Júnior, Fernando José de Lima Ramos; da Silva, Karla Monik Alves; de Souza, Fabio Santos

2016-01-01

Momordica charantia is a species cultivated throughout the world and widely used in folk medicine, and its medicinal benefits are well documented, especially its pharmacological properties, including antimicrobial activities. Analytical methods have been used to aid in the characterization of compounds derived from plant drug extracts and their products. This paper developed a methodological model to evaluate the integrity of the vegetable drug M. charantia in different particle sizes, using different analytical methods. M. charantia was collected in the semiarid region of Paraíba, Brazil. The herbal medicine raw material derived from the leaves and fruits in different particle sizes was analyzed using thermoanalytical techniques as thermogravimetry (TG) and differential thermal analysis (DTA), pyrolysis coupled to gas chromatography/mass spectrometry (PYR-GC/MS), and nuclear magnetic resonance (1H NMR), in addition to the determination of antimicrobial activity. The different particle surface area among the samples was differentiated by the techniques. DTA and TG were used for assessing thermal and kinetic parameters and PYR-GC/MS was used for degradation products chromatographic identification through the pyrograms. The infusions obtained from the fruit and leaves of Momordica charantia presented antimicrobial activity. PMID:27579215

Nuclear Resonance Fluorescence to Measure Plutonium Mass in Spent Nuclear Fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ludewigt, Bernhard A; Quiter, Brian J.; Ambers, Scott D.

2011-01-14

The Next Generation Safeguard Initiative (NGSI) of the U.S Department of Energy is supporting a multi-lab/university collaboration to quantify the plutonium (Pu) mass in spent nuclear fuel (SNF) assemblies and to detect the diversion of pins with non-destructive assay (NDA) methods. The following 14 NDA techniques are being studied: Delayed Neutrons, Differential Die-Away, Differential Die-Away Self-Interrogation, Lead Slowing Down Spectrometer, Neutron Multiplicity, Passive Neutron Albedo Reactivity, Total Neutron (Gross Neutron), X-Ray Fluorescence, {sup 252}Cf Interrogation with Prompt Neutron Detection, Delayed Gamma, Nuclear Resonance Fluorescence, Passive Prompt Gamma, Self-integration Neutron Resonance Densitometry, and Neutron Resonance Transmission Analysis. Understanding and maturity ofmore » the techniques vary greatly, ranging from decades old, well-understood methods to new approaches. Nuclear Resonance Fluorescence (NRF) is a technique that had not previously been studied for SNF assay or similar applications. Since NRF generates isotope-specific signals, the promise and appeal of the technique lies in its potential to directly measure the amount of a specific isotope in an SNF assay target. The objectives of this study were to design and model suitable NRF measurement methods, to quantify capabilities and corresponding instrumentation requirements, and to evaluate prospects and the potential of NRF for SNF assay. The main challenge of the technique is to achieve the sensitivity and precision, i.e., to accumulate sufficient counting statistics, required for quantifying the mass of Pu isotopes in SNF assemblies. Systematic errors, considered a lesser problem for a direct measurement and only briefly discussed in this report, need to be evaluated for specific instrument designs in the future. Also, since the technical capability of using NRF to measure Pu in SNF has not been established, this report does not directly address issues such as cost, size, development time, nor concerns related to the use of Pu in measurement systems. This report discusses basic NRF measurement concepts, i.e., backscatter and transmission methods, and photon source and {gamma}-ray detector options in Section 2. An analytical model for calculating NRF signal strengths is presented in Section 3 together with enhancements to the MCNPX code and descriptions of modeling techniques that were drawn upon in the following sections. Making extensive use of the model and MCNPX simulations, the capabilities of the backscatter and transmission methods based on bremsstrahlung or quasi-monoenergetic photon sources were analyzed as described in Sections 4 and 5. A recent transmission experiment is reported on in Appendix A. While this experiment was not directly part of this project, its results provide an important reference point for our analytical estimates and MCNPX simulations. Used fuel radioactivity calculations, the enhancements to the MCNPX code, and details of the MCNPX simulations are documented in the other appendices.« less

Analytical methodologies for aluminium speciation in environmental and biological samples--a review.

PubMed

Bi, S P; Yang, X D; Zhang, F P; Wang, X L; Zou, G W

2001-08-01

It is recognized that aluminium (Al) is a potential environmental hazard. Acidic deposition has been linked to increased Al concentrations in natural waters. Elevated levels of Al might have serious consequences for biological communities. Of particular interest is the speciation of Al in aquatic environments, because Al toxicity depends on its forms and concentrations. In this paper, advances in analytical methodologies for Al speciation in environmental and biological samples during the past five years are reviewed. Concerns about the specific problems of Al speciation and highlights of some important methods are elucidated in sections devoted to hybrid techniques (HPLC or FPLC coupled with ET-AAS, ICP-AES, or ICP-MS), flow-injection analysis (FIA), nuclear magnetic resonance (27Al NMR), electrochemical analysis, and computer simulation. More than 130 references are cited.

DOE Office of Scientific and Technical Information (OSTI.GOV)

WIELOPOLSKI, L.

In this short report, I reassess the feasibility of measuring iron in vivo in the liver and heart of thalassemia patients undergoing chelation therapy. Despite the multiplicity of analytical methods for analyzing iron, only two, magnetic resonance imaging, and magnetic susceptibility, are suitable for in vivo applications, and these are limited to the liver because of the heart's beat. Previously, a nuclear method, gamma-resonance scattering, offered a quantitative measure of iron in these organs; however, it was abandoned because it necessitated a nuclear reactor to produce the radioactive source. I reviewed and reassessed the status of two alternative nuclear methods,more » based on iron spectroscopy of gamma rays induced by fast neutron inelastic scattering and delayed activation in iron. Both are quantitative methods with high specificity for iron and adequate penetrating power to measure it in organs sited deep within the human body. My experiments demonstrated that both modalities met the stated qualitative objectives to measure iron. However, neutron dosimetry revealed that the intensity of the neutron radiation field was too weak to reliably assess the minimum detection limits, and to allow quantitative extrapolations to measurements in people. A review of the literature, included in this report, showed that these findings agree qualitatively with the published results, although the doses reported were about three orders-of-magnitude higher than those I used. Reviewing the limitations of the present work, steps were outlined for overcoming some of the shortcomings. Due to a dearth of valid quantitative alternatives for determining iron in vivo, I conclude that nuclear methods remain the only viable option. However, from the lessons learned, further systematic work is required before embarking on clinical studies.« less

Nuclear Forensics: Scientific Analysis Supporting Law Enforcement and Nuclear Security Investigations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keegan, Elizabeth; Kristo, Michael J.; Toole, Kaitlyn

In Nuclear Forensic Science, analytical chemists join forces with nuclear physicists, material scientists, radiochemists, and traditional forensic scientists, as well as experts in nuclear security, nuclear safeguards, law enforcement, and policy development, in an effort to deter nuclear smuggling. Nuclear forensic science, or “nuclear forensics,” aims to answer questions about nuclear material found outside of regulatory control, questions such as ‘where did this material come from?’ and ‘what is the intended use of the material?’ In this Feature, we provide a general overview of nuclear forensics, selecting examples of key “nuclear forensic signatures” which have allowed investigators to determine themore » identity of unknown nuclear material in real investigations.« less

Nuclear Forensics: Scientific Analysis Supporting Law Enforcement and Nuclear Security Investigations

DOE PAGES

Keegan, Elizabeth; Kristo, Michael J.; Toole, Kaitlyn; ...

2015-12-24

In Nuclear Forensic Science, analytical chemists join forces with nuclear physicists, material scientists, radiochemists, and traditional forensic scientists, as well as experts in nuclear security, nuclear safeguards, law enforcement, and policy development, in an effort to deter nuclear smuggling. Nuclear forensic science, or “nuclear forensics,” aims to answer questions about nuclear material found outside of regulatory control, questions such as ‘where did this material come from?’ and ‘what is the intended use of the material?’ In this Feature, we provide a general overview of nuclear forensics, selecting examples of key “nuclear forensic signatures” which have allowed investigators to determine themore » identity of unknown nuclear material in real investigations.« less

Electromagnetic Pulse Excitation of Finite-Long Dissipative Conductors over a Conducting Ground Plane in the Frequency Domain.

DOE Office of Scientific and Technical Information (OSTI.GOV)

campione, Salvatore; Warne, Larry K.; Schiek, Richard

2017-09-01

This report details the modeling results for the response of a finite-length dissipative conductor interacting with a conducting ground to a hypothetical nuclear device with the same output energy spectrum as the Fat Man device. We use a frequency-domain method based on transmission line theory and implemented it in a code we call ATLOG - Analytic Transmission Line Over Ground. Select results are compared to ones computed using the circuit simulator Xyce. Intentionally Left Blank

Approximate Green's function methods for HZE transport in multilayered materials

NASA Technical Reports Server (NTRS)

Wilson, John W.; Badavi, Francis F.; Shinn, Judy L.; Costen, Robert C.

1993-01-01

A nonperturbative analytic solution of the high charge and energy (HZE) Green's function is used to implement a computer code for laboratory ion beam transport in multilayered materials. The code is established to operate on the Langley nuclear fragmentation model used in engineering applications. Computational procedures are established to generate linear energy transfer (LET) distributions for a specified ion beam and target for comparison with experimental measurements. The code was found to be highly efficient and compared well with the perturbation approximation.

A simple method for computing the relativistic Compton scattering kernel for radiative transfer

NASA Technical Reports Server (NTRS)

Prasad, M. K.; Kershaw, D. S.; Beason, J. D.

1986-01-01

Correct computation of the Compton scattering kernel (CSK), defined to be the Klein-Nishina differential cross section averaged over a relativistic Maxwellian electron distribution, is reported. The CSK is analytically reduced to a single integral, which can then be rapidly evaluated using a power series expansion, asymptotic series, and rational approximation for sigma(s). The CSK calculation has application to production codes that aim at understanding certain astrophysical, laser fusion, and nuclear weapons effects phenomena.

Round-robin pretest analyses of a 1:6-scale reinforced concrete containment model subject to static internal pressurization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clauss, D.B.

Analyses of a 1:6-scale reinforced concrete containment model that will be tested to failure at Sandia National Laboratories in the spring of 1987 were conducted by the following organizations in the United States and Europe: Sandia National Laboratories (USA), Argonne National Laboratory (USA), Electric Power Research Institute (USA), Commissariat a L'Energie Atomique (France), HM Nuclear Installations Inspectorate (UK), Comitato Nazionale per la ricerca e per lo sviluppo dell'Energia Nucleare e delle Energie Alternative (Italy), UK Atomic Energy Authority, Safety and Reliability Directorate (UK), Gesellschaft fuer Reaktorsicherheit (FRG), Brookhaven National Laboratory (USA), and Central Electricity Generating Board (UK). Each organization wasmore » supplied with a standard information package, which included construction drawings and actual material properties for most of the materials used in the model. Each organization worked independently using their own analytical methods. This report includes descriptions of the various analytical approaches and pretest predictions submitted by each organization. Significant milestones that occur with increasing pressure, such as damage to the concrete (cracking and crushing) and yielding of the steel components, and the failure pressure (capacity) and failure mechanism are described. Analytical predictions for pressure histories of strain in the liner and rebar and displacements are compared at locations where experimental results will be available after the test. Thus, these predictions can be compared to one another and to experimental results after the test.« less

Electron scattering intensities and Patterson functions of Skyrmions

NASA Astrophysics Data System (ADS)

Karliner, M.; King, C.; Manton, N. S.

2016-06-01

The scattering of electrons off nuclei is one of the best methods of probing nuclear structure. In this paper we focus on electron scattering off nuclei with spin and isospin zero within the Skyrme model. We consider two distinct methods and simplify our calculations by use of the Born approximation. The first method is to calculate the form factor of the spherically averaged Skyrmion charge density; the second uses the Patterson function to calculate the scattering intensity off randomly oriented Skyrmions, and spherically averages at the end. We compare our findings with experimental scattering data. We also find approximate analytical formulae for the first zero and first stationary point of a form factor.

Analytic second derivative of the energy for density functional theory based on the three-body fragment molecular orbital method

NASA Astrophysics Data System (ADS)

Nakata, Hiroya; Fedorov, Dmitri G.; Zahariev, Federico; Schmidt, Michael W.; Kitaura, Kazuo; Gordon, Mark S.; Nakamura, Shinichiro

2015-03-01

Analytic second derivatives of the energy with respect to nuclear coordinates have been developed for spin restricted density functional theory (DFT) based on the fragment molecular orbital method (FMO). The derivations were carried out for the three-body expansion (FMO3), and the two-body expressions can be obtained by neglecting the three-body corrections. Also, the restricted Hartree-Fock (RHF) Hessian for FMO3 can be obtained by neglecting the density-functional related terms. In both the FMO-RHF and FMO-DFT Hessians, certain terms with small magnitudes are neglected for computational efficiency. The accuracy of the FMO-DFT Hessian in terms of the Gibbs free energy is evaluated for a set of polypeptides and water clusters and found to be within 1 kcal/mol of the corresponding full (non-fragmented) ab initio calculation. The FMO-DFT method is also applied to transition states in SN2 reactions and for the computation of the IR and Raman spectra of a small Trp-cage protein (PDB: 1L2Y). Some computational timing analysis is also presented.

Radioxenon Production from an Underground Nuclear Detonation

NASA Astrophysics Data System (ADS)

Sun, Y.

2016-12-01

The Comprehensive Nuclear Test Ban Treaty of 1996 has sparked the attention of many nations around the world for detecting Underground Nuclear Explosions (UNEs). The radioisotopes, specifically isotopes of xenon, Xe-131m, Xe-133m, Xe-133, and Xe-135, are being studied using their half-lives and decay networks for distinguishing civilian nuclear applications from UNEs. This study aims to simulate radioxenon concentrations and their uncertainties using analytical solutions of radioactive decay networks.

Quantitative Characterization of Tissue Microstructure with Temporal Diffusion Spectroscopy

PubMed Central

Xu, Junzhong; Does, Mark D.; Gore, John C.

2009-01-01

The signals recorded by diffusion-weighted magnetic resonance imaging (DWI) are dependent on the micro-structural properties of biological tissues, so it is possible to obtain quantitative structural information non-invasively from such measurements. Oscillating gradient spin echo (OGSE) methods have the ability to probe the behavior of water diffusion over different time scales and the potential to detect variations in intracellular structure. To assist in the interpretation of OGSE data, analytical expressions have been derived for diffusion-weighted signals with OGSE methods for restricted diffusion in some typical structures, including parallel planes, cylinders and spheres, using the theory of temporal diffusion spectroscopy. These analytical predictions have been confirmed with computer simulations. These expressions suggest how OGSE signals from biological tissues should be analyzed to characterize tissue microstructure, including how to estimate cell nuclear sizes. This approach provides a model to interpret diffusion data obtained from OGSE measurements that can be used for applications such as monitoring tumor response to treatment in vivo. PMID:19616979

High precision analytical description of the allowed β spectrum shape

NASA Astrophysics Data System (ADS)

Hayen, Leendert; Severijns, Nathal; Bodek, Kazimierz; Rozpedzik, Dagmara; Mougeot, Xavier

2018-01-01

A fully analytical description of the allowed β spectrum shape is given in view of ongoing and planned measurements. Its study forms an invaluable tool in the search for physics beyond the standard electroweak model and the weak magnetism recoil term. Contributions stemming from finite size corrections, mass effects, and radiative corrections are reviewed. Particular focus is placed on atomic and chemical effects, where the existing description is extended and analytically provided. The effects of QCD-induced recoil terms are discussed, and cross-checks were performed for different theoretical formalisms. Special attention was given to a comparison of the treatment of nuclear structure effects in different formalisms. Corrections were derived for both Fermi and Gamow-Teller transitions, and methods of analytical evaluation thoroughly discussed. In its integrated form, calculated f values were in agreement with the most precise numerical results within the aimed for precision. The need for an accurate evaluation of weak magnetism contributions was stressed, and the possible significance of the oft-neglected induced pseudoscalar interaction was noted. Together with improved atomic corrections, an analytical description was presented of the allowed β spectrum shape accurate to a few parts in 10-4 down to 1 keV for low to medium Z nuclei, thereby extending the work by previous authors by nearly an order of magnitude.

Chemistry Division. Quarterly progress report for period ending June 30, 1949

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1949-09-14

Progress reports are presented for the following tasks: (1) nuclear and chemical properties of heavy elements (solution chemistry, phase rule studies); (2) nuclear and chemical properties of elements in the fission product region; (3) general nuclear chemistry; (4) radio-organic chemistry; (5) chemistry of separations processes; (6) physical chemistry and chemical physics; (7) radiation chemistry; (8) physical measurements and instrumentation; and (9) analytical chemistry. The program of the chemistry division is divided into two efforts of approximately equal weight with respect to number of personnel, chemical research, and analytical service for the Laboratory. The various research problems fall into the followingmore » classifications: (1) chemical separation processes for isolation and recovery of fissionable material, production of radioisotopes, and military applications; (2) reactor development; and (3) fundamental research.« less

Counterfeit drugs: analytical techniques for their identification.

PubMed

Martino, R; Malet-Martino, M; Gilard, V; Balayssac, S

2010-09-01

In recent years, the number of counterfeit drugs has increased dramatically, including not only "lifestyle" products but also vital medicines. Besides the threat to public health, the financial and reputational damage to pharmaceutical companies is substantial. The lack of robust information on the prevalence of fake drugs is an obstacle in the fight against drug counterfeiting. It is generally accepted that approximately 10% of drugs worldwide could be counterfeit, but it is also well known that this number covers very different situations depending on the country, the places where the drugs are purchased, and the definition of what constitutes a counterfeit drug. The chemical analysis of drugs suspected to be fake is a crucial step as counterfeiters are becoming increasingly sophisticated, rendering visual inspection insufficient to distinguish the genuine products from the counterfeit ones. This article critically reviews the recent analytical methods employed to control the quality of drug formulations, using as an example artemisinin derivatives, medicines particularly targeted by counterfeiters. Indeed, a broad panel of techniques have been reported for their analysis, ranging from simple and cheap in-field ones (colorimetry and thin-layer chromatography) to more advanced laboratory methods (mass spectrometry, nuclear magnetic resonance, and vibrational spectroscopies) through chromatographic methods, which remain the most widely used. The conclusion section of the article highlights the questions to be posed before selecting the most appropriate analytical approach.

Critical Need for Plutonium and Uranium Isotopic Standards with Lower Uncertainties

DOE PAGES

Mathew, Kattathu Joseph; Stanley, Floyd E.; Thomas, Mariam R.; ...

2016-09-23

Certified reference materials (CRMs) traceable to national and international safeguards database are a critical prerequisite for ensuring that nuclear measurement systems are free of systematic biases. CRMs are used to validate measurement processes associated with nuclear analytical laboratories. Diverse areas related to nuclear safeguards are impacted by the quality of the CRM standards available to analytical laboratories. These include: nuclear forensics, radio-chronometry, national and international safeguards, stockpile stewardship, nuclear weapons infrastructure and nonproliferation, fuel fabrication, waste processing, radiation protection, and environmental monitoring. For the past three decades the nuclear community is confronted with the strange situation that improvements in measurementmore » data quality resulting from the improved accuracy and precision achievable with modern multi-collector mass spectrometers could not be fully exploited due to large uncertainties associated with CRMs available from New Brunswick Laboratory (NBL) that are used for instrument calibration and measurement control. Similar conditions prevail for both plutonium and uranium isotopic standards and for impurity element standards in uranium matrices. Herein, the current status of U and Pu isotopic standards available from NBL is reviewed. Critical areas requiring improvement in the quality of the nuclear standards to enable the U. S. and international safeguards community to utilize the full potential of modern multi-collector mass spectrometer instruments are highlighted.« less

Critical Need for Plutonium and Uranium Isotopic Standards with Lower Uncertainties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mathew, Kattathu Joseph; Stanley, Floyd E.; Thomas, Mariam R.

Certified reference materials (CRMs) traceable to national and international safeguards database are a critical prerequisite for ensuring that nuclear measurement systems are free of systematic biases. CRMs are used to validate measurement processes associated with nuclear analytical laboratories. Diverse areas related to nuclear safeguards are impacted by the quality of the CRM standards available to analytical laboratories. These include: nuclear forensics, radio-chronometry, national and international safeguards, stockpile stewardship, nuclear weapons infrastructure and nonproliferation, fuel fabrication, waste processing, radiation protection, and environmental monitoring. For the past three decades the nuclear community is confronted with the strange situation that improvements in measurementmore » data quality resulting from the improved accuracy and precision achievable with modern multi-collector mass spectrometers could not be fully exploited due to large uncertainties associated with CRMs available from New Brunswick Laboratory (NBL) that are used for instrument calibration and measurement control. Similar conditions prevail for both plutonium and uranium isotopic standards and for impurity element standards in uranium matrices. Herein, the current status of U and Pu isotopic standards available from NBL is reviewed. Critical areas requiring improvement in the quality of the nuclear standards to enable the U. S. and international safeguards community to utilize the full potential of modern multi-collector mass spectrometer instruments are highlighted.« less

Technology of an adhesive silicone film as drug carrier in transdermal therapy. I: Analytical methods used for characterization and design of the universal elastomer layers.

PubMed

Mojsiewicz-Pieńkowska, Krystyna; Jamrógiewicz, Marzena; Zebrowska, Maria; Sznitowska, Małgorzata; Centkowska, Katarzyna

2011-08-25

Silicone polymers possess unique properties, which make them suitable for many different applications, for example in the pharmaceutical and medical industry. To create an adhesive silicone film, the appropriate silicone components have to be chosen first. From these components two layers were made: an adhesive elastomer applied on the skin, and a non-adhesive elastomer on the other side of the film. The aim of this study was to identify a set of analytical methods that can be used for detailed characterization of the elastomer layers, as needed when designing new silicone films. More specifically, the following methods were combined to detailed identification of the silicone components: Fourier transform infrared spectroscopy (FTIR), proton nuclear magnetic resonance (¹H NMR) and size exclusion chromatography with evaporative light scattering detector (SEC-ELSD). It was demonstrated that these methods together with a rheological analysis are suitable for controlling the cross-linking reaction, thus obtaining the desired properties of the silicone film. Adhesive silicone films can be used as universal materials for medical use, particularly for effective treatment of scars and keloids or as drug carriers in transdermal therapy.

PROVIDING PLANT DATA ANALYTICS THROUGH A SEAMLESS DIGITAL ENVIRONMENT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bly, Aaron; Oxstrand, Johanna

As technology continues to evolve and become more integrated into a worker’s daily routine in the Nuclear Power industry the need for easy access to data becomes a priority. Not only does the need for data increase but the amount of data collected increases. In most cases the data is collected and stored in various software applications, many of which are legacy systems, which do not offer any other option to access the data except through the application’s user interface. Furthermore the data gets grouped in “silos” according to work function and not necessarily by subject. Hence, in order tomore » access all the information needed for a particular task or analysis one may have to access multiple applications to gather all the data needed. The industry and the research community have identified the need for a digital architecture and more importantly the need for a Seamless Digital Environment. An SDE provides a means to access multiple applications, gather the data points needed, conduct the analysis requested, and present the result to the user with minimal or no effort by the user. In addition, the nuclear utilities have identified the need for research focused on data analytics. The effort should develop and evaluate use cases for data mining and analytics for employing information from plant sensors and database for use in developing improved business analytics. Idaho National Laboratory is leading such effort, which is conducted in close collaboration with vendors, nuclear utilities, Institute of Nuclear Power Operations, and Electric Power Research Institute. The goal of the study is to research potential approaches to building an analytics solution for equipment reliability, on a small scale, focusing on either a single piece of equipment or a single system. The analytics solution will likely consist of a data integration layer, predictive and machine learning layer and the user interface layer that will display the output of the analysis in a straight forward, easy to consume manner. This paper will describe the study and the initial results.« less

Time-Domain Nuclear Magnetic Resonance (TD-NMR) and Chemometrics for Determination of Fat Content in Commercial Products of Milk Powder.

PubMed

Nascimento, Paloma Andrade Martins; Barsanelli, Paulo Lopes; Rebellato, Ana Paula; Pallone, Juliana Azevedo Lima; Colnago, Luiz Alberto; Pereira, Fabíola Manhas Verbi

2017-03-01

This study shows the use of time-domain (TD)-NMR transverse relaxation (T2) data and chemometrics in the nondestructive determination of fat content for powdered food samples such as commercial dried milk products. Most proposed NMR spectroscopy methods for measuring fat content correlate free induction decay or echo intensities with the sample's mass. The need for the sample's mass limits the analytical frequency of NMR determination, because weighing the samples is an additional step in this procedure. Therefore, the method proposed here is based on a multivariate model of T2 decay, measured with Carr-Purcell-Meiboom-Gill pulse sequence and reference values of fat content. The TD-NMR spectroscopy method shows high correlation (r = 0.95) with the lipid content, determined by the standard extraction method of Bligh and Dyer. For comparison, fat content determination was also performed using a multivariate model with near-IR (NIR) spectroscopy, which is also a nondestructive method. The advantages of the proposed TD-NMR method are that it (1) minimizes toxic residue generation, (2) performs measurements with high analytical frequency (a few seconds per analysis), and (3) does not require sample preparation (such as pelleting, needed for NIR spectroscopy analyses) or weighing the samples.

Nuclear physics for materials technology

NASA Astrophysics Data System (ADS)

Conlon, T. W.

1987-04-01

Although particle accelerators have traditionally been used to further our knowledge of nuclear physics, the last decade or so has seen a rapid growth of their involvement in materials technology — both to modify materials and to provide analytical information at the atomic level that cannot be obtained in other ways. The deployment of ion beams in these areas has occurred in three phases: first the exploitation of keV ion beams (in ion implantation and SIMS) then MeV light ion beams (using RBS, NRA, PIXE analysis and TLA) and currently MeV heavy ion beams, together with the associated fast recoil atoms and nuclei that they produce in interactions with materials. This trend has been accompanied by the gradual assimilation of methods such as energy analysis, microbeam focussing, particle identification, time of flight and coincidence techniques, etc., which were first developed for experimental nuclear physics use. Current examples of developments in the MeV range relevant to phases 2 and 3 are given.

U.S. Strategic Nuclear Policy and Force Structure: Three Analytical Approaches

DTIC Science & Technology

1999-12-01

research rocket fired from Norway, an incident that sparked strong concerns that nuclear war 18 Lachlan Forrow, Bruce Blair, Ira Helfnad, George Lewis...quoted in R. Jeffrey Smith , "Clinton Directive Changes Strategy On Nuclear Arms," Washington Post, 7 December 1997, Al. 86 President William...Meyers, "U.S. Updates Nuclear War Guidelines," New York Times, 8 December 1997, 4. 233 Bell quoted in R. Jeffrey Smith , "Clinton Directive Changes

Operando analysis of lithium profiles in Li-ion batteries using nuclear microanalysis

NASA Astrophysics Data System (ADS)

Surblé, S.; Paireau, C.; Martin, J.-F.; Tarnopolskiy, V.; Gauthier, M.; Khodja, H.; Daniel, L.; Patoux, S.

2018-07-01

A wide variety of analytical methods are used for studying the behavior of lithium-ion batteries and particularly the lithium ion distribution in the electrodes. However, the development of in situ/operando techniques proved powerful to understand the mechanisms responsible for the lithium trapping and then the aging phenomenon. Herein, we report the design of an electrochemical cell to profile operando lithium concentration in LiFePO4 electrodes using Ion Beam Analysis techniques. The specificity of the cell resides in its ability to not only provide qualitative information about the elements present but above all to measure quantitatively their content in the electrode at different states of charge of the battery. The nuclear methods give direct information about the degradation of the electrolyte and particularly reveal inhomogeneous distributions of lithium and fluorine along the entire thickness of the electrode. Higher concentrations of fluorine is detected near the electrode/electrolyte interface while a depletion of lithium is observed near the current collector at high states of charge.

Nuclear Forensics. Chapter 18

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mayer, Klaus; Glaser, Alexander

Whenever nuclear material is found out of regulatory control, questions on the origin of the material, on its intended use, and on hazards associated with the material need to be answered. Here, analytical and interpretational methodologies have been developed in order to exploit measurable material properties for gaining information on the history of the nuclear material. This area of research is referred to as nuclear forensic science or, in short, nuclear forensics.This chapter reviews the origins, types, and state-of-the-art of nuclear forensics; discusses the potential roles of nuclear forensics in supporting nuclear security; and examines what nuclear forensics can realisticallymore » achieve. Lastly, it also charts a path forward, pointing at potential applications of nuclear forensic methodologies in other areas.« less

Nuclear Forensics

DOE PAGES

Glaser, Alexander; Mayer, Klaus

2016-06-01

Whenever nuclear material is found out of regulatory control, questions on the origin of the material, on its intended use, and on hazards associated with the material need to be answered. Analytical and interpretational methodologies have been developed in order to exploit measurable material properties for gaining information on the history of the nuclear material. This area of research is referred to as nuclear forensic science or, in short, nuclear forensics.This chapter reviews the origins, types, and state-of-the-art of nuclear forensics; discusses the potential roles of nuclear forensics in supporting nuclear security; and examines what nuclear forensics can realistically achieve.more » It also charts a path forward, pointing at potential applications of nuclear forensic methodologies in other areas.« less

Rapid Radiochemical Analyses in Support of Fukushima Nuclear Accident - 13196

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maxwell, Sherrod L.; Culligan, Brian K.; Hutchison, Jay B.

There is an increasing need to develop faster analytical methods for emergency response, including emergency soil and air filter samples [1, 2]. The Savannah River National Laboratory (SRNL) performed analyses on samples received from Japan in April, 2011 as part of a U.S. Department of Energy effort to provide assistance to the government of Japan, following the nuclear event at Fukushima Daiichi, resulting from the earthquake and tsunami on March 11, 2011. Of particular concern was whether it was safe to plant rice in certain areas (prefectures) near Fukushima. The primary objectives of the sample collection, sample analysis, and datamore » assessment teams were to evaluate personnel exposure hazards, identify the nuclear power plant radiological source term and plume deposition, and assist the government of Japan in assessing any environmental and agricultural impacts associated with the nuclear event. SRNL analyzed approximately 250 samples and reported approximately 500 analytical method determinations. Samples included soil from farmland surrounding the Fukushima reactors and air monitoring samples of national interest, including those collected at the U.S. Embassy and American military bases. Samples were analyzed for a wide range of radionuclides, including strontium-89, strontium-90, gamma-emitting radionuclides, and plutonium, uranium, americium and curium isotopes. Technical aspects of the rapid soil and air filter analyses will be described. The extent of radiostrontium contamination was a significant concern. For {sup 89,90}Sr analyses on soil samples, a rapid fusion technique using 1.5 gram soil aliquots to enable a Minimum Detectable Activity (MDA) of <1 pCi {sup 89,90}Sr /g of soil was employed. This sequential technique has been published recently by this laboratory for actinides and radiostrontium in soil and vegetation [3, 4]. It consists of a rapid sodium hydroxide fusion, pre-concentration steps using iron hydroxide and calcium fluoride precipitations, followed by Sr-Resin separation and gas flow proportional counting. To achieve a lower detection limit for analysis of some of the Japanese soil samples, a 10 gram aliquot of soil was taken, acid-leached and processed with similar preconcentration chemistry. The MDA using this approach was ∼0.03 pCi/g (1.1 mBq/g)/, which is less than the 0.05-0.10 pCi/g {sup 90}Sr levels found in soil as a result of global fallout. The chemical yields observed for the Japanese soil samples was typically 75-80% and the laboratory control sample (LCS) and matrix spike (MS) results looked very good for this work Individual QC results were well within the ± 25% acceptable range and the average of these results does not show significant bias. Additional data for a radiostrontium in soil method for 50 gram samples will also be presented, which appears to be a significant step forward based on looking at the current literature, with higher chemical yields for even larger sample aliquots and lower MDA [5, 6, 7] Hou et al surveyed a wide range of separation methods for Pu in waters and environmental solid samples [8]. While there are many actinide methods in the scientific literature, few would be considered rapid due to the tedious and time-consuming steps involved. For actinide analyses in soil, a new rapid method for the determination of actinide isotopes in soil samples using both alpha spectrometry and inductively-coupled plasma mass spectrometry was employed. The new rapid soil method utilizes an acid leaching method, iron/titanium hydroxide precipitation, a lanthanum fluoride soil matrix removal step, and a rapid column separation process with TEVA Resin. The large soil matrix is removed easily and rapidly using these two simple precipitations with high chemical recoveries and effective removal of interferences. [9, 10] Vacuum box technology and rapid flow rates were used to reduce analytical time. Challenges associated with the mineral content in the volcanic soil will be discussed. Air filter samples were reported within twenty-four (24) hours of receipt using rapid techniques published previously. [11] The rapid reporting of high quality analytical data arranged through the U.S. Department of Energy Consequence Management Home Team was critical to allow the government of Japan to readily evaluate radiological impacts from the nuclear reactor incident to both personnel and the environment. SRNL employed unique rapid methods capability for radionuclides to support Japan that can also be applied to environmental, bioassay and waste management samples. New rapid radiochemical techniques for radionuclides in soil and other environmental matrices as well as some of the unique challenges associated with this work will be presented that can be used for application to environmental monitoring, environmental remediation, decommissioning and decontamination activities. (authors)« less

RAPID RADIOCHEMICAL ANALYSES IN SUPPORT OF FUKUSHIMA NUCLEAR ACCIDENT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maxwell, S.

2012-11-07

There is an increasing need to develop faster analytical methods for emergency response, including emergency soil and air filter samples. The Savannah River National Laboratory (SRNL) performed analyses on samples received from Japan in April, 2011 as part of a U.S. Department of Energy effort to provide assistance to the government of Japan, following the nuclear event at Fukushima Daiichi, resulting from the earthquake and tsunami on March 11, 2011. Of particular concern was whether it was safe to plant rice in certain areas (prefectures) near Fukushima. The primary objectives of the sample collection, sample analysis, and data assessment teamsmore » were to evaluate personnel exposure hazards, identify the nuclear power plant radiological source term and plume deposition, and assist the government of Japan in assessing any environmental and agricultural impacts associated with the nuclear event. SRNL analyzed approximately 250 samples and reported approximately 500 analytical method determinations. Samples included soil from farmland surrounding the Fukushima reactors and air monitoring samples of national interest, including those collected at the U.S. Embassy and American military bases. Samples were analyzed for a wide range of radionuclides, including strontium-89, strontium-90, gamma-emitting radionuclides, and plutonium, uranium, americium and curium isotopes. Technical aspects of the rapid soil and air filter analyses will be described. The extent of radiostrontium contamination was a significant concern. For {sup 89,90}Sr analyses on soil samples, a rapid fusion technique using 1.5 gram soil aliquots to enable a Minimum Detectable Activity (MDA) of <1 pCi {sup 89,90} Sr /g of soil was employed. This sequential technique has been published recently by this laboratory for actinides and radiostrontium in soil and vegetation. It consists of a rapid sodium hydroxide fusion, pre-concentration steps using iron hydroxide and calcium fluoride precipitations, followed by Sr-Resin separation and gas flow proportional counting. To achieve a lower detection limit for analysis of some of the Japanese soil samples, a 10 gram aliquot of soil was taken, acid-leached and processed with similar preconcentration chemistry. The MDA using this approach was ~0.03 pCi/g (1.1 mBq/g)/, which is less than the 0.05-0.10 pCi/g {sup 90}Sr levels found in soil as a result of global fallout. The chemical yields observed for the Japanese soil samples was typically 75-80% and the laboratory control sample (LCS) and matrix spike (MS) results looked very good for this work Individual QC results were well within the ± 25% acceptable range and the average of these results does not show significant bias. Additional data for a radiostrontium in soil method for 50 gram samples will also be presented, which appears to be a significant step forward based on looking at the current literature, with higher chemical yields for even larger sample aliquots and lower MDA. Hou et al surveyed a wide range of separation methods for Pu in waters and environmental solid samples. While there are many actinide methods in the scientific literature, few would be considered rapid due to the tedious and time-consuming steps involved. For actinide analyses in soil, a new rapid method for the determination of actinide isotopes in soil samples using both alpha spectrometry and inductively-coupled plasma mass spectrometry was employed. The new rapid soil method utilizes an acid leaching method, iron/titanium hydroxide precipitation, a lanthanum fluoride soil matrix removal step, and a rapid column separation process with TEVA Resin. The large soil matrix is removed easily and rapidly using these two simple precipitations with high chemical recoveries and effective removal of interferences. Vacuum box technology and rapid flow rates were used to reduce analytical time. Challenges associated with the mineral content in the volcanic soil will be discussed. Air filter samples were reported within twenty-four (24) hours of receipt using rapid techniques published previously. The rapid reporting of high quality analytical data arranged through the U.S. Department of Energy Consequence Management Home Team was critical to allow the government of Japan to readily evaluate radiological impacts from the nuclear reactor incident to both personnel and the environment. SRNL employed unique rapid methods capability for radionuclides to support Japan that can also be applied to environmental, bioassay and waste management samples. New rapid radiochemical techniques for radionuclides in soil and other environmental matrices as well as some of the unique challenges associated with this work will be presented that can be used for application to environmental monitoring, environmental remediation, decommissioning and decontamination activities.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

The Chemical Technology (CMT) Division is a diverse technical organization with principal emphases in environmental management and development of advanced energy sources. The Division conducts research and development in three general areas: (1) development of advanced power sources for stationary and transportation applications and for consumer electronics, (2) management of high-level and low-level nuclear wastes and hazardous wastes, and (3) electrometallurgical treatment of spent nuclear fuel. The Division also performs basic research in catalytic chemistry involving molecular energy resources, mechanisms of ion transport in lithium battery electrolytes, and the chemistry of technology-relevant materials and electrified interfaces. In addition, the Divisionmore » operates the Analytical Chemistry Laboratory, which conducts research in analytical chemistry and provides analytical services for programs at Argonne National Laboratory (ANL) and other organizations. Technical highlights of the Division`s activities during 1997 are presented.« less

Development and application of an information-analytic system on the problem of flow accelerated corrosion of pipeline elements in the secondary coolant circuit of VVER-440-based power units at the Novovoronezh nuclear power plant

NASA Astrophysics Data System (ADS)

Tomarov, G. V.; Povarov, V. P.; Shipkov, A. A.; Gromov, A. F.; Kiselev, A. N.; Shepelev, S. V.; Galanin, A. V.

2015-02-01

Specific features relating to development of the information-analytical system on the problem of flow-accelerated corrosion of pipeline elements in the secondary coolant circuit of the VVER-440-based power units at the Novovoronezh nuclear power plant are considered. The results from a statistical analysis of data on the quantity, location, and operating conditions of the elements and preinserted segments of pipelines used in the condensate-feedwater and wet steam paths are presented. The principles of preparing and using the information-analytical system for determining the lifetime to reaching inadmissible wall thinning in elements of pipelines used in the secondary coolant circuit of the VVER-440-based power units at the Novovoronezh NPP are considered.

On the pursuit of a nuclear development capability: The case of the Cuban nuclear program

NASA Astrophysics Data System (ADS)

Benjamin-Alvarado, Jonathan Calvert

1998-09-01

While there have been many excellent descriptive accounts of modernization schemes in developing states, energy development studies based on prevalent modernization theory have been rare. Moreover, heretofore there have been very few analyses of efforts to develop a nuclear energy capability by developing states. Rarely have these analyses employed social science research methodologies. The purpose of this study was to develop a general analytical framework, based on such a methodology to analyze nuclear energy development and to utilize this framework for the study of the specific case of Cuba's decision to develop nuclear energy. The analytical framework developed focuses on a qualitative tracing of the process of Cuban policy objectives and implementation to develop a nuclear energy capability, and analyzes the policy in response to three models of modernization offered to explain the trajectory of policy development. These different approaches are the politically motivated modernization model, the economic and technological modernization model and the economic and energy security model. Each model provides distinct and functionally differentiated expectations for the path of development toward this objective. Each model provides expected behaviors to external stimuli that would result in specific policy responses. In the study, Cuba's nuclear policy responses to stimuli from domestic constraints and intensities, institutional development, and external influences are analyzed. The analysis revealed that in pursuing the nuclear energy capability, Cuba primarily responded by filtering most of the stimuli through the twin objectives of economic rationality and technological advancement. Based upon the Cuban policy responses to the domestic and international stimuli, the study concluded that the economic and technological modernization model of nuclear energy development offered a more complete explanation of the trajectory of policy development than either the politically-motivated or economic and energy security models. The findings of this case pose some interesting questions for the general study of energy programs in developing states. By applying the analytical framework employed in this study to a number of other cases, perhaps the understanding of energy development schemes may be expanded through future research.

Identification of irradiated wheat by germination test, DNA comet assay and electron spin resonance

NASA Astrophysics Data System (ADS)

Barros, Adilson C.; Freund, Maria Teresa L.; Villavicencio, Ana Lúcia C. H.; Delincée, Henry; Arthur, Valter

2002-03-01

In several countries, there has been an increase in the use of radiation for food processing thus improving the quality and sanitary conditions, inhibiting pathogenic microorganisms, delaying the natural aging process and so extending product lifetime. The need to develop analytical methods to detect these irradiated products is also increasing. The goal of this research was to identify wheat irradiated using different radiation doses. Seeds were irradiated with a gamma 60Co source (Gammacell 220 GC) in the Centro de Energia Nuclear na Agricultura and the Instituto de Pesquisas Energéticas e Nucleares. Dose rate used were 1.6 and 5.8kGy/h. Applied doses were 0.0, 0.10, 0.25, 0.50, 0.75, 1.0, and 2.0kGy. After irradiation, seeds were analysed over a 6 month period. Three different detection methods were employed to determine how irradiation had modified the samples. Screening methods consisted of a germination test measuring the inhibition of shooting and rooting and analysis of DNA fragmentation. The method of electron spin resonance spectroscopy allowed a better dosimetric evaluation. These techniques make the identification of irradiated wheat with different doses possible.

Free iterative-complement-interaction calculations of the hydrogen molecule

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kurokawa, Yusaku; Nakashima, Hiroyuki; Nakatsuji, Hiroshi

2005-12-15

The free iterative-complement-interaction (ICI) method based on the scaled Schroedinger equation proposed previously has been applied to the calculations of very accurate wave functions of the hydrogen molecule in an analytical expansion form. All the variables were determined with the variational principle by calculating the necessary integrals analytically. The initial wave function and the scaling function were changes to see the effects on the convergence speed of the ICI calculations. The free ICI wave functions that were generated automatically were different from the existing wave functions, and this difference was shown to be physically important. The best wave function reportedmore » in this paper seems to be the best worldwide in the literature from the variational point of view. The quality of the wave function was examined by calculating the nuclear and electron cusps.« less

Analytic gradient for second order Møller-Plesset perturbation theory with the polarizable continuum model based on the fragment molecular orbital method.

PubMed

Nagata, Takeshi; Fedorov, Dmitri G; Li, Hui; Kitaura, Kazuo

2012-05-28

A new energy expression is proposed for the fragment molecular orbital method interfaced with the polarizable continuum model (FMO/PCM). The solvation free energy is shown to be more accurate on a set of representative polypeptides with neutral and charged residues, in comparison to the original formulation at the same level of the many-body expansion of the electrostatic potential determining the apparent surface charges. The analytic first derivative of the energy with respect to nuclear coordinates is formulated at the second-order Møller-Plesset (MP2) perturbation theory level combined with PCM, for which we derived coupled perturbed Hartree-Fock equations. The accuracy of the analytic gradient is demonstrated on test calculations in comparison to numeric gradient. Geometry optimization of the small Trp-cage protein (PDB: 1L2Y) is performed with FMO/PCM/6-31(+)G(d) at the MP2 and restricted Hartree-Fock with empirical dispersion (RHF/D). The root mean square deviations between the FMO optimized and NMR experimental structure are found to be 0.414 and 0.426 Å for RHF/D and MP2, respectively. The details of the hydrogen bond network in the Trp-cage protein are revealed.

Analytic gradient for second order Møller-Plesset perturbation theory with the polarizable continuum model based on the fragment molecular orbital method

NASA Astrophysics Data System (ADS)

Nagata, Takeshi; Fedorov, Dmitri G.; Li, Hui; Kitaura, Kazuo

2012-05-01

A new energy expression is proposed for the fragment molecular orbital method interfaced with the polarizable continuum model (FMO/PCM). The solvation free energy is shown to be more accurate on a set of representative polypeptides with neutral and charged residues, in comparison to the original formulation at the same level of the many-body expansion of the electrostatic potential determining the apparent surface charges. The analytic first derivative of the energy with respect to nuclear coordinates is formulated at the second-order Møller-Plesset (MP2) perturbation theory level combined with PCM, for which we derived coupled perturbed Hartree-Fock equations. The accuracy of the analytic gradient is demonstrated on test calculations in comparison to numeric gradient. Geometry optimization of the small Trp-cage protein (PDB: 1L2Y) is performed with FMO/PCM/6-31(+)G(d) at the MP2 and restricted Hartree-Fock with empirical dispersion (RHF/D). The root mean square deviations between the FMO optimized and NMR experimental structure are found to be 0.414 and 0.426 Å for RHF/D and MP2, respectively. The details of the hydrogen bond network in the Trp-cage protein are revealed.

ADVANCEMENTS IN TIME-SPECTRA ANALYSIS METHODS FOR LEAD SLOWING-DOWN SPECTROSCOPY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Leon E.; Anderson, Kevin K.; Gesh, Christopher J.

2010-08-11

Direct measurement of Pu in spent nuclear fuel remains a key challenge for safeguarding nuclear fuel cycles of today and tomorrow. Lead slowing-down spectroscopy (LSDS) is an active nondestructive assay method that has the potential to provide independent, direct measurement of Pu and U isotopic mass with an uncertainty lower than the approximately 10 percent typical of today’s confirmatory assay methods. Pacific Northwest National Laboratory’s (PNNL) previous work to assess the viability of LSDS for the assay of pressurized water reactor (PWR) assemblies indicated that the method could provide direct assay of Pu-239 and U-235 (and possibly Pu-240 and Pu-241)more » with uncertainties less than a few percent, assuming suitably efficient instrumentation, an intense pulsed neutron source, and improvements in the time-spectra analysis methods used to extract isotopic information from a complex LSDS signal. This previous simulation-based evaluation used relatively simple PWR fuel assembly definitions (e.g. constant burnup across the assembly) and a constant initial enrichment and cooling time. The time-spectra analysis method was founded on a preliminary analytical model of self-shielding intended to correct for assay-signal nonlinearities introduced by attenuation of the interrogating neutron flux within the assembly.« less

Sub-saturation matter in compact stars: Nuclear modelling in the framework of the extended Thomas-Fermi theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aymard, François; Gulminelli, Francesca; Margueron, Jérôme

A recently introduced analytical model for the nuclear density profile [1] is implemented in the Extended Thomas-Fermi (ETF) energy density functional. This allows to (i) shed a new light on the issue of the sign of surface symmetry energy in nuclear mass formulas, as well as to (ii) show the importance of the in-medium corrections to the nuclear cluster energies in thermodynamic conditions relevant for the description of core-collapse supernovae and (proto)-neutron star crust.

Sub-saturation matter in compact stars: Nuclear modelling in the framework of the extended Thomas-Fermi theory

NASA Astrophysics Data System (ADS)

Aymard, François; Gulminelli, Francesca; Margueron, Jérôme

2015-02-01

A recently introduced analytical model for the nuclear density profile [1] is implemented in the Extended Thomas-Fermi (ETF) energy density functional. This allows to (i) shed a new light on the issue of the sign of surface symmetry energy in nuclear mass formulas, as well as to (ii) show the importance of the in-medium corrections to the nuclear cluster energies in thermodynamic conditions relevant for the description of core-collapse supernovae and (proto)-neutron star crust.

APPROXIMATE AND ANALYTICAL SOLUTIONS FOR SOLUTE TRANSPORT FROM AN INJECTION WELL INTO A SINGLE FRACTURE

EPA Science Inventory

In dealing with problems related to land-based nuclear waste management, a number of analytical and approximate solutions were developed to quantify radionuclide transport through fractures contained in the porous formation. t has been reported that by treating the radioactive de...

Determination of Trace Concentration in TMD Detectors using PGAA

NASA Astrophysics Data System (ADS)

Tomandl, I.; Viererbl, L.; Kudějová, P.; Lahodová, Z.; Klupák, V.; Fikrle, M.

2015-05-01

Transmutation detectors could be alternative to the traditional activation detector method for neutron fluence dosimetry at power nuclear reactors. This new method require an isotopically highly-sensitive, non-destructive in sense of compactness as well as isotopic content, precise and standardly used analytical method for trace concentration determination. The capability of Prompt Gamma-ray Activation Analysis (PGAA) for determination of trace concentrations of transmuted stable nuclides in the metallic foils of Ni, Au, Cu and Nb, which were irradiated for 21 days in the reactor core at the LVR-15 research reactor in Řež, is reported. The PGAA measurements of these activation foils were performed at the PGAA facility at Forschungs-Neutronenquelle Heinz Maier-Leibnitz (FRMII) in Garching.

Retrospective dose assessment for the population living in areas of local fallout from the Semipalatinsk nuclear test site Part I: External exposure.

PubMed

Gordeev, Konstantin; Shinkarev, Sergey; Ilyin, Leonid; Bouville, André; Hoshi, Masaharu; Luckyanov, Nickolas; Simon, Steven L

2006-02-01

A short analysis of all 111 atmospheric events conducted at the Semipalatinsk Test Site (STS) in 1949-1962 with regard to significant off-site exposure (more than 5 mSv of the effective dose during the first year after the explosion) has been made. The analytical method used to assess external exposure to the residents living in settlements near the STS is described. This method makes use of the archival data on the radiological conditions, including the measurements of exposure rate. Special attention was given to the residents of Dolon and Kanonerka villages exposed mainly as a result of the first test, detonated on August 29, 1949. For the residents of those settlements born in 1935, the dose estimates calculated according to the analytical method, are compared to those derived from the thermoluminescence measurements in bricks and electron paramagnetic resonance measurements in teeth. The methods described in this paper were used for external dose assessment for the cohort members at an initial stage of an ongoing epidemiological study conducted by the U.S. National Cancer Institute in the Republic of Kazakhstan. Recently revised methods and estimates of external exposure for that cohort are given in another paper (Simon et al.) in this conference.

Automated Solid Phase Extraction (SPE) LC/NMR Applied to the Structural Analysis of Extractable Compounds from a Pharmaceutical Packaging Material of Construction.

PubMed

Norwood, Daniel L; Mullis, James O; Davis, Mark; Pennino, Scott; Egert, Thomas; Gonnella, Nina C

2013-01-01

The structural analysis (i.e., identification) of organic chemical entities leached into drug product formulations has traditionally been accomplished with techniques involving the combination of chromatography with mass spectrometry. These include gas chromatography/mass spectrometry (GC/MS) for volatile and semi-volatile compounds, and various forms of liquid chromatography/mass spectrometry (LC/MS or HPLC/MS) for semi-volatile and relatively non-volatile compounds. GC/MS and LC/MS techniques are complementary for structural analysis of leachables and potentially leachable organic compounds produced via laboratory extraction of pharmaceutical container closure/delivery system components and corresponding materials of construction. Both hyphenated analytical techniques possess the separating capability, compound specific detection attributes, and sensitivity required to effectively analyze complex mixtures of trace level organic compounds. However, hyphenated techniques based on mass spectrometry are limited by the inability to determine complete bond connectivity, the inability to distinguish between many types of structural isomers, and the inability to unambiguously determine aromatic substitution patterns. Nuclear magnetic resonance spectroscopy (NMR) does not have these limitations; hence it can serve as a complement to mass spectrometry. However, NMR technology is inherently insensitive and its ability to interface with chromatography has been historically challenging. This article describes the application of NMR coupled with liquid chromatography and automated solid phase extraction (SPE-LC/NMR) to the structural analysis of extractable organic compounds from a pharmaceutical packaging material of construction. The SPE-LC/NMR technology combined with micro-cryoprobe technology afforded the sensitivity and sample mass required for full structure elucidation. Optimization of the SPE-LC/NMR analytical method was achieved using a series of model compounds representing the chemical diversity of extractables. This study demonstrates the complementary nature of SPE-LC/NMR with LC/MS for this particular pharmaceutical application. The identification of impurities leached into drugs from the components and materials associated with pharmaceutical containers, packaging components, and materials has historically been done using laboratory techniques based on the combination of chromatography with mass spectrometry. Such analytical techniques are widely recognized as having the selectivity and sensitivity required to separate the complex mixtures of impurities often encountered in such identification studies, including both the identification of leachable impurities as well as potential leachable impurities produced by laboratory extraction of packaging components and materials. However, while mass spectrometry-based analytical techniques have limitations for this application, newer analytical techniques based on the combination of chromatography with nuclear magnetic resonance spectroscopy provide an added dimension of structural definition. This article describes the development, optimization, and application of an analytical technique based on the combination of chromatography and nuclear magnetic resonance spectroscopy to the identification of potential leachable impurities from a pharmaceutical packaging material. The complementary nature of the analytical techniques for this particular pharmaceutical application is demonstrated.

Quantum mechanical/molecular mechanical/continuum style solvation model: second order Møller-Plesset perturbation theory.

PubMed

Thellamurege, Nandun M; Si, Dejun; Cui, Fengchao; Li, Hui

2014-05-07

A combined quantum mechanical/molecular mechanical/continuum (QM/MM/C) style second order Møller-Plesset perturbation theory (MP2) method that incorporates induced dipole polarizable force field and induced surface charge continuum solvation model is established. The Z-vector method is modified to include induced dipoles and induced surface charges to determine the MP2 response density matrix, which can be used to evaluate MP2 properties. In particular, analytic nuclear gradient is derived and implemented for this method. Using the Assisted Model Building with Energy Refinement induced dipole polarizable protein force field, the QM/MM/C style MP2 method is used to study the hydrogen bonding distances and strengths of the photoactive yellow protein chromopore in the wild type and the Glu46Gln mutant.

Uncertainty quantification for discrimination of nuclear events as violations of the comprehensive nuclear-test-ban treaty.

PubMed

Sloan, Jamison; Sun, Yunwei; Carrigan, Charles

2016-05-01

Enforcement of the Comprehensive Nuclear Test Ban Treaty (CTBT) will involve monitoring for radiologic indicators of underground nuclear explosions (UNEs). A UNE produces a variety of radioisotopes which then decay through connected radionuclide chains. A particular species of interest is xenon, namely the four isotopes (131m)Xe, (133m)Xe, (133)Xe, and (135)Xe. Due to their half lives, some of these isotopes can exist in the subsurface for more than 100 days. This convenient timescale, combined with modern detection capabilities, makes the xenon family a desirable candidate for UNE detection. Ratios of these isotopes as a function of time have been studied in the past for distinguishing nuclear explosions from civilian nuclear applications. However, the initial yields from UNEs have been treated as fixed values. In reality, these independent yields are uncertain to a large degree. This study quantifies the uncertainty in xenon ratios as a result of these uncertain initial conditions to better bound the values that xenon ratios can assume. We have successfully used a combination of analytical and sampling based statistical methods to reliably bound xenon isotopic ratios. We have also conducted a sensitivity analysis and found that xenon isotopic ratios are primarily sensitive to only a few of many uncertain initial conditions. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Ion beams provided by small accelerators for material synthesis and characterization

NASA Astrophysics Data System (ADS)

Mackova, Anna; Havranek, Vladimir

2017-06-01

The compact, multipurpose electrostatic tandem accelerators are extensively used for production of ion beams with energies in the range from 400 keV to 24 MeV of almost all elements of the periodic system for the trace element analysis by means of nuclear analytical methods. The ion beams produced by small accelerators have a broad application, mainly for material characterization (Rutherford Back-Scattering spectrometry, Particle Induced X ray Emission analysis, Nuclear Reaction Analysis and Ion-Microprobe with 1 μm lateral resolution among others) and for high-energy implantation. Material research belongs to traditionally progressive fields of technology. Due to the continuous miniaturization, the underlying structures are far beyond the analytical limits of the most conventional methods. Ion Beam Analysis (IBA) techniques provide this possibility as they use probes of similar or much smaller dimensions (particles, radiation). Ion beams can be used for the synthesis of new progressive functional nanomaterials for optics, electronics and other applications. Ion beams are extensively used in studies of the fundamental energetic ion interaction with matter as well as in the novel nanostructure synthesis using ion beam irradiation in various amorphous and crystalline materials in order to get structures with extraordinary functional properties. IBA methods serve for investigation of materials coming from material research, industry, micro- and nano-technology, electronics, optics and laser technology, chemical, biological and environmental investigation in general. Main research directions in laboratories employing small accelerators are also the preparation and characterization of micro- and nano-structured materials which are of interest for basic and oriented research in material science, and various studies of biological, geological, environmental and cultural heritage artefacts are provided too.

Magic Angle Spinning NMR Metabolomics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhi Hu, Jian

Nuclear Magnetic Resonance (NMR) spectroscopy is a non-destructive, quantitative, reproducible, untargeted and unbiased method that requires no or minimal sample preparation, and is one of the leading analytical tools for metabonomics research [1-3]. The easy quantification and the no need of prior knowledge about compounds present in a sample associated with NMR are advantageous over other techniques [1,4]. 1H NMR is especially attractive because protons are present in virtually all metabolites and its NMR sensitivity is high, enabling the simultaneous identification and monitoring of a wide range of low molecular weight metabolites.

Analytical measurements of fission products during a severe nuclear accident

NASA Astrophysics Data System (ADS)

Doizi, D.; Reymond la Ruinaz, S.; Haykal, I.; Manceron, L.; Perrin, A.; Boudon, V.; Vander Auwera, J.; tchana, F. Kwabia; Faye, M.

2018-01-01

The Fukushima accident emphasized the fact that ways to monitor in real time the evolution of a nuclear reactor during a severe accident remain to be developed. No fission products were monitored during twelve days; only dose rates were measured, which is not sufficient to carry out an online diagnosis of the event. The first measurements were announced with little reliability for low volatile fission products. In order to improve the safety of nuclear plants and minimize the industrial, ecological and health consequences of a severe accident, it is necessary to develop new reliable measurement systems, operating at the earliest and closest to the emission source of fission products. Through the French program ANR « Projet d'Investissement d'Avenir », the aim of the DECA-PF project (diagnosis of core degradation from fission products measurements) is to monitor in real time the release of the major fission products (krypton, xenon, gaseous forms of iodine and ruthenium) outside the nuclear reactor containment. These products are released at different times during a nuclear accident and at different states of the nuclear core degradation. Thus, monitoring these fission products gives information on the situation inside the containment and helps to apply the Severe Accident Management procedures. Analytical techniques have been proposed and evaluated. The results are discussed here.

Integrated Response Time Evaluation Methodology for the Nuclear Safety Instrumentation System

NASA Astrophysics Data System (ADS)

Lee, Chang Jae; Yun, Jae Hee

2017-06-01

Safety analysis for a nuclear power plant establishes not only an analytical limit (AL) in terms of a measured or calculated variable but also an analytical response time (ART) required to complete protective action after the AL is reached. If the two constraints are met, the safety limit selected to maintain the integrity of physical barriers used for preventing uncontrolled radioactivity release will not be exceeded during anticipated operational occurrences and postulated accidents. Setpoint determination methodologies have actively been developed to ensure that the protective action is initiated before the process conditions reach the AL. However, regarding the ART for a nuclear safety instrumentation system, an integrated evaluation methodology considering the whole design process has not been systematically studied. In order to assure the safety of nuclear power plants, this paper proposes a systematic and integrated response time evaluation methodology that covers safety analyses, system designs, response time analyses, and response time tests. This methodology is applied to safety instrumentation systems for the advanced power reactor 1400 and the optimized power reactor 1000 nuclear power plants in South Korea. The quantitative evaluation results are provided herein. The evaluation results using the proposed methodology demonstrate that the nuclear safety instrumentation systems fully satisfy corresponding requirements of the ART.

Assuring the Quality of Test Results in the Field of Nuclear Techniques and Ionizing Radiation. The Practical Implementation of Section 5.9 of the EN ISO/IEC 17025 Standard

NASA Astrophysics Data System (ADS)

Cucu, Daniela; Woods, Mike

2008-08-01

The paper aims to present a practical approach for testing laboratories to ensure the quality of their test results. It is based on the experience gained in assessing a large number of testing laboratories, discussing with management and staff, reviewing results obtained in national and international PTs and ILCs and exchanging information in the EA laboratory committee. According to EN ISO/IEC 17025, an accredited laboratory has to implement a programme to ensure the quality of its test results for each measurand. Pre-analytical, analytical and post-analytical measures shall be applied in a systematic manner. They shall include both quality control and quality assurance measures. When designing the quality assurance programme a laboratory should consider pre-analytical activities (like personnel training, selection and validation of test methods, qualifying equipment), analytical activities ranging from sampling, sample preparation, instrumental analysis and post-analytical activities (like decoding, calculation, use of statistical tests or packages, management of results). Designed on different levels (analyst, quality manager and technical manager), including a variety of measures, the programme shall ensure the validity and accuracy of test results, the adequacy of the management system, prove the laboratory's competence in performing tests under accreditation and last but not least show the comparability of test results. Laboratory management should establish performance targets and review periodically QC/QA results against them, implementing appropriate measures in case of non-compliance.

Analytical dose evaluation of neutron and secondary gamma-ray skyshine from nuclear facilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hayashi, K.; Nakamura, T.

1985-11-01

The skyshine dose distributions of neutron and secondary gamma rays were calculated systematically using the Monte Carlo method for distances up to 2 km from the source. The energy of source neutrons ranged from thermal to 400 MeV; their emission angle from 0 to 90 deg from the ver tical was treated with a distribution of the direction cosine containing five equal intervals. Calculated dose distributions D(r) were fitted to the formula; D(r) = Q exp (-r/lambda)/r. The value of Q and lambda are slowly varied functions of energy. This formula was applied to the benchmark problems of neutron skyshinemore » from fission, fusion, and accelerator facilities, and good agreement was achieved. This formula will be quite useful for shielding designs of various nuclear facilities.« less

Evaluation of insulation materials and composites for use in a nuclear radiation environment, phase 2

NASA Technical Reports Server (NTRS)

Westerheide, D. E.; Carter, H. G.; Erickson, R. C.; Kerlin, E. E.

1972-01-01

The nuclear heating of the propellant in all of the four baseline RNS configurations studied was much lower than that of the nuclear flight module configuration with the 5000-MW NERVA analyzed previously. Although the nuclear heating has been reduced, the effect of nuclear heating on the propellant as well as the effect of nuclear heating on internal structures such as antivortex baffles, screens, and sump components cannot be neglected. In addition, it was found that the present analytical precedures were not able to predict boundary layer initiation and breakoff points with the accuracy necessary to predict propellant thermodynamic nonequilibrium (stratification) and/or mixing.

Analytical Capability of Plasma Spectrometry Team

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gallimore, David L.

2012-07-19

Samples analyzed were: (1) Pu and U metal; (2) Pu oxide for nuclear fuel; (3) {sup 238}Pu oxide for heat source; and (4) Nuclear forensic samples - filters, swipes. Sample preparations that we did were: metal dissolution, marple filter dissolution, Pu oxide closed vessel acid digestion, and column separation to remove Pu.

The U.S. national nuclear forensics library, nuclear materials information program, and data dictionary

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lamont, Stephen Philip; Brisson, Marcia; Curry, Michael

2011-02-17

Nuclear forensics assessments to determine material process history requires careful comparison of sample data to both measured and modeled nuclear material characteristics. Developing centralized databases, or nuclear forensics libraries, to house this information is an important step to ensure all relevant data will be available for comparison during a nuclear forensics analysis and help expedite the assessment of material history. The approach most widely accepted by the international community at this time is the implementation of National Nuclear Forensics libraries, which would be developed and maintained by individual nations. This is an attractive alternative toan international database since it providesmore » an understanding that each country has data on materials produced and stored within their borders, but eliminates the need to reveal any proprietary or sensitive information to other nations. To support the concept of National Nuclear Forensics libraries, the United States Department of Energy has developed a model library, based on a data dictionary, or set of parameters designed to capture all nuclear forensic relevant information about a nuclear material. Specifically, information includes material identification, collection background and current location, analytical laboratories where measurements were made, material packaging and container descriptions, physical characteristics including mass and dimensions, chemical and isotopic characteristics, particle morphology or metallurgical properties, process history including facilities, and measurement quality assurance information. While not necessarily required, it may also be valuable to store modeled data sets including reactor burn-up or enrichment cascade data for comparison. It is fully expected that only a subset of this information is available or relevant to many materials, and much of the data populating a National Nuclear Forensics library would be process analytical or material accountability measurement data as opposed to a complete forensic analysis of each material in the library.« less

Liquid chromatography/mass spectrometry and liquid chromatography/nuclear magnetic resonance as complementary analytical techniques for unambiguous identification of polymethoxylated flavones in residues from molecular distillation of orange peel oils (Citrus sinensis).

PubMed

Weber, Berthold; Hartmann, Beate; Stöckigt, Detlef; Schreiber, Klaus; Roloff, Michael; Bertram, Heinz-Jürgen; Schmidt, Claus O

2006-01-25

Liquid chromatography/mass spectrometry and liquid chromatography/nuclear magnetic resonance techniques with ultraviolet/diode array detection were used as complementary analytical tools for the reliable identification of polymethoxylated flavones in residues from molecular distillation of cold-pressed peel oils of Citrus sinensis. After development of a liquid chromatographic separation procedure, the presence of several polymethoxy flavones such as sinensetin, nobiletin, tangeretin, quercetogetin, heptamethoxyflavone, and other derivatives was unambiguously confirmed. In addition, proceranone, an acetylated tetranortriterpenoid with limonoid structure, was identified for the first time in citrus.

Chemical Technology Division annual technical report, 1990

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1991-05-01

Highlights of the Chemical Technology (CMT) Division's activities during 1990 are presented. In this period, CMT conducted research and development in the following areas: (1) electrochemical technology, including advanced batteries and fuel cells; (2) technology for coal- fired magnetohydrodynamics and fluidized-bed combustion; (3) methods for recovery of energy from municipal waste and techniques for treatment of hazardous organic waste; (4) the reaction of nuclear waste glass and spent fuel under conditions expected for a high-level waste repository; (5) processes for separating and recovering transuranic elements from nuclear waste streams, concentrating plutonium solids in pyrochemical residues by aqueous biphase extraction, andmore » treating natural and process waters contaminated by volatile organic compounds; (6) recovery processes for discharged fuel and the uranium blanket in the Integral Fast Reactor (IFR); (7) processes for removal of actinides in spent fuel from commercial water-cooled nuclear reactors and burnup in IFRs; and (8) physical chemistry of selected materials in environments simulating those of fission and fusion energy systems. The Division also has a program in basic chemistry research in the areas of fluid catalysis for converting small molecules to desired products; materials chemistry for superconducting oxides and associated and ordered solutions at high temperatures; interfacial processes of importance to corrosion science, high-temperature superconductivity, and catalysis; and the geochemical processes responsible for trace-element migration within the earth's crust. The Analytical Chemistry Laboratory in CMT provides a broad range of analytical chemistry support services to the scientific and engineering programs at Argonne National Laboratory (ANL). 66 refs., 69 figs., 6 tabs.« less

Analytic second derivative of the energy for density functional theory based on the three-body fragment molecular orbital method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakata, Hiroya, E-mail: nakata.h.ab@m.titech.ac.jp; RIKEN, Research Cluster for Innovation, Nakamura Lab, 2-1 Hirosawa, Wako, Saitama 351-0198; Japan Society for the Promotion of Science, Kojimachi Business Center Building, 5-3-1 Kojimachi, Chiyoda-ku, Tokyo 102-0083

2015-03-28

Analytic second derivatives of the energy with respect to nuclear coordinates have been developed for spin restricted density functional theory (DFT) based on the fragment molecular orbital method (FMO). The derivations were carried out for the three-body expansion (FMO3), and the two-body expressions can be obtained by neglecting the three-body corrections. Also, the restricted Hartree-Fock (RHF) Hessian for FMO3 can be obtained by neglecting the density-functional related terms. In both the FMO-RHF and FMO-DFT Hessians, certain terms with small magnitudes are neglected for computational efficiency. The accuracy of the FMO-DFT Hessian in terms of the Gibbs free energy is evaluatedmore » for a set of polypeptides and water clusters and found to be within 1 kcal/mol of the corresponding full (non-fragmented) ab initio calculation. The FMO-DFT method is also applied to transition states in S{sub N}2 reactions and for the computation of the IR and Raman spectra of a small Trp-cage protein (PDB: 1L2Y). Some computational timing analysis is also presented.« less

Rapid and sensitive determination of tellurium in soil and plant samples by sector-field inductively coupled plasma mass spectrometry.

PubMed

Yang, Guosheng; Zheng, Jian; Tagami, Keiko; Uchida, Shigeo

2013-11-15

In this work, we report a rapid and highly sensitive analytical method for the determination of tellurium in soil and plant samples using sector field inductively coupled plasma mass spectrometry (SF-ICP-MS). Soil and plant samples were digested using Aqua regia. After appropriate dilution, Te in soil and plant samples was directly analyzed without any separation and preconcentration. This simple sample preparation approach avoided to a maximum extent any contamination and loss of Te prior to the analysis. The developed analytical method was validated by the analysis of soil/sediment and plant reference materials. Satisfactory detection limits of 0.17 ng g(-1) for soil and 0.02 ng g(-1) for plant samples were achieved, which meant that the developed method was applicable to studying the soil-to-plant transfer factor of Te. Our work represents for the first time that data on the soil-to-plant transfer factor of Te were obtained for Japanese samples which can be used for the estimation of internal radiation dose of radioactive tellurium due to the Fukushima Daiichi Nuclear Power Plant accident. Copyright © 2013 Elsevier B.V. All rights reserved.

[Metabonomics-a useful tool for individualized cancer therapy].

PubMed

Chai, Yanlan; Wang, Juan; Liu, Zi

2013-11-01

Metabonomics has developed rapidly in post-genome era, and becomes a hot topic of omics. The core idea of metabonomics is to determine the metabolites of relatively low-weight molecular in organisms or cells, by a series of analytical methods such as nuclear magnetic resonance, color spectrum and mass spectrogram, then to transform the data of metabolic pattern into useful information, by chemometric tools and pattern recognition software, and to reveal the essence of life activities of the body. With advantages of high-throughput, high-sensitivity and high-accuracy, metabolomics shows great potential and value in cancer individualized treatment. This paper introduces the concept,contents and methods of metabonomics and reviews its application in cancer individualized therapy.

Ensemble of single quadrupolar nuclei in rotating solids: sidebands in NMR spectrum.

PubMed

Kundla, Enn

2006-07-01

A novel way is proposed to describe the evolution of nuclear magnetic polarization and the induced NMR spectrum. In this method, the effect of a high-intensity external static magnetic field and the effects of proper Hamiltonian left over interaction components, which commute with the first, are taken into account simultaneously and equivalently. The method suits any concrete NMR problem. This brings forth the really existing details in the registered spectra, evoked by Hamiltonian secular terms, which may be otherwise smoothed due to approximate treatment of the effects of the secular terms. Complete analytical expressions are obtained describing the NMR spectra including the rotational sideband sets of single quadrupolar nuclei in rotating solids.

Fuels characterization studies. [jet fuels

NASA Technical Reports Server (NTRS)

Seng, G. T.; Antoine, A. C.; Flores, F. J.

1980-01-01

Current analytical techniques used in the characterization of broadened properties fuels are briefly described. Included are liquid chromatography, gas chromatography, and nuclear magnetic resonance spectroscopy. High performance liquid chromatographic ground-type methods development is being approached from several directions, including aromatic fraction standards development and the elimination of standards through removal or partial removal of the alkene and aromatic fractions or through the use of whole fuel refractive index values. More sensitive methods for alkene determinations using an ultraviolet-visible detector are also being pursued. Some of the more successful gas chromatographic physical property determinations for petroleum derived fuels are the distillation curve (simulated distillation), heat of combustion, hydrogen content, API gravity, viscosity, flash point, and (to a lesser extent) freezing point.

A stochastic method for Brownian-like optical transport calculations in anisotropic biosuspensions and blood

NASA Astrophysics Data System (ADS)

Miller, Steven

1998-03-01

A generic stochastic method is presented that rapidly evaluates numerical bulk flux solutions to the one-dimensional integrodifferential radiative transport equation, for coherent irradiance of optically anisotropic suspensions of nonspheroidal bioparticles, such as blood. As Fermat rays or geodesics enter the suspension, they evolve into a bundle of random paths or trajectories due to scattering by the suspended bioparticles. Overall, this can be interpreted as a bundle of Markov trajectories traced out by a "gas" of Brownian-like point photons being scattered and absorbed by the homogeneous distribution of uncorrelated cells in suspension. By considering the cumulative vectorial intersections of a statistical bundle of random trajectories through sets of interior data planes in the space containing the medium, the effective equivalent information content and behavior of the (generally unknown) analytical flux solutions of the radiative transfer equation rapidly emerges. The fluxes match the analytical diffuse flux solutions in the diffusion limit, which verifies the accuracy of the algorithm. The method is not constrained by the diffusion limit and gives correct solutions for conditions where diffuse solutions are not viable. Unlike conventional Monte Carlo and numerical techniques adapted from neutron transport or nuclear reactor problems that compute scalar quantities, this vectorial technique is fast, easily implemented, adaptable, and viable for a wide class of biophotonic scenarios. By comparison, other analytical or numerical techniques generally become unwieldy, lack viability, or are more difficult to utilize and adapt. Illustrative calculations are presented for blood medias at monochromatic wavelengths in the visible spectrum.

Quantitative metabolomics by H-NMR and LC-MS/MS confirms altered metabolic pathways in diabetes.

PubMed

Lanza, Ian R; Zhang, Shucha; Ward, Lawrence E; Karakelides, Helen; Raftery, Daniel; Nair, K Sreekumaran

2010-05-10

Insulin is as a major postprandial hormone with profound effects on carbohydrate, fat, and protein metabolism. In the absence of exogenous insulin, patients with type 1 diabetes exhibit a variety of metabolic abnormalities including hyperglycemia, glycosurea, accelerated ketogenesis, and muscle wasting due to increased proteolysis. We analyzed plasma from type 1 diabetic (T1D) humans during insulin treatment (I+) and acute insulin deprivation (I-) and non-diabetic participants (ND) by (1)H nuclear magnetic resonance spectroscopy and liquid chromatography-tandem mass spectrometry. The aim was to determine if this combination of analytical methods could provide information on metabolic pathways known to be altered by insulin deficiency. Multivariate statistics differentiated proton spectra from I- and I+ based on several derived plasma metabolites that were elevated during insulin deprivation (lactate, acetate, allantoin, ketones). Mass spectrometry revealed significant perturbations in levels of plasma amino acids and amino acid metabolites during insulin deprivation. Further analysis of metabolite levels measured by the two analytical techniques indicates several known metabolic pathways that are perturbed in T1D (I-) (protein synthesis and breakdown, gluconeogenesis, ketogenesis, amino acid oxidation, mitochondrial bioenergetics, and oxidative stress). This work demonstrates the promise of combining multiple analytical methods with advanced statistical methods in quantitative metabolomics research, which we have applied to the clinical situation of acute insulin deprivation in T1D to reflect the numerous metabolic pathways known to be affected by insulin deficiency.

Nominations for the 2017 NNSA Pollution Prevention Awards

DOE Office of Scientific and Technical Information (OSTI.GOV)

Salzman, Sonja L.; Ballesteros Rodriguez, Sonia; Lopez, Lorraine Bonds

In the field of nuclear forensics, one of the biggest challenges is to dissolve postdetonation debris for analysis. Debris generated after a nuclear detonation is a glassy material that is difficult to dissolve with chemicals. Traditionally, concentrated nitric acid, hydrofluoric acid, or sulfuric acid are employed during the dissolution. These acids, due to their corrosive nature, are not suitable for in-field/on-site sample preparations. Uranium oxides are commonly present in nuclear fuel processing plants and nuclear research facilities. In uranium oxides, the level of uranium isotope enrichment is a sensitive indicator for nuclear nonproliferation and is monitored closely by the Internationalmore » Atomic Energy Agency (IAEA) to ensure there is no misuse of nuclear material or technology for nuclear weapons. During an IAEA on-site inspection at a facility, environmental surface swipe samples are collected and transported to the IAEA headquarters or network of analytical laboratories for further processing. Uranium oxide particles collected on the swipe medium are typically dissolved with inorganic acids and are then analyzed for uranium isotopic compositions. To improve the responsiveness of on-site inspections, in-field detection techniques have been recently explored. However, in-field analysis is bottlenecked by time-consuming and hazardous dissolution procedures, as corrosive inorganic acids must be used. Corrosive chemicals are difficult to use in the field due to personnel safety considerations, and the transportation of such chemicals is highly regulated. It was therefore necessary to develop fast uranium oxide dissolution methods using less hazardous chemicals in support of the rapid infield detection of anomalies in declared nuclear processes.« less

An analytical derivation of MC-SCF vibrational wave functions for the quantum dynamical simulation of multiple proton transfer reactions: Initial application to protonated water chains

NASA Astrophysics Data System (ADS)

Drukker, Karen; Hammes-Schiffer, Sharon

1997-07-01

This paper presents an analytical derivation of a multiconfigurational self-consistent-field (MC-SCF) solution of the time-independent Schrödinger equation for nuclear motion (i.e. vibrational modes). This variational MC-SCF method is designed for the mixed quantum/classical molecular dynamics simulation of multiple proton transfer reactions, where the transferring protons are treated quantum mechanically while the remaining degrees of freedom are treated classically. This paper presents a proof that the Hellmann-Feynman forces on the classical degrees of freedom are identical to the exact forces (i.e. the Pulay corrections vanish) when this MC-SCF method is used with an appropriate choice of basis functions. This new MC-SCF method is applied to multiple proton transfer in a protonated chain of three hydrogen-bonded water molecules. The ground state and the first three excited state energies and the ground state forces agree well with full configuration interaction calculations. Sample trajectories are obtained using adiabatic molecular dynamics methods, and nonadiabatic effects are found to be insignificant for these sample trajectories. The accuracy of the excited states will enable this MC-SCF method to be used in conjunction with nonadiabatic molecular dynamics methods. This application differs from previous work in that it is a real-time quantum dynamical nonequilibrium simulation of multiple proton transfer in a chain of water molecules.

An analytical method for 14C in environmental water based on a wet-oxidation process.

PubMed

Huang, Yan-Jun; Guo, Gui-Yin; Wu, Lian-Sheng; Zhang, Bing; Chen, Chao-Feng; Zhang, Hai-Ying; Qin, Hong-Juan; Shang-Guan, Zhi-Hong

2015-04-01

An analytical method for (14)C in environmental water based on a wet-oxidation process was developed. The method can be used to determine the activity concentrations of organic and inorganic (14)C in environmental water, or total (14)C, including in drinking water, surface water, rainwater and seawater. The wet-oxidation of the organic component allows the conversion of organic carbon to an inorganic form, and the extraction of the inorganic (14)C can be achieved by acidification and nitrogen purging. Environmental water with a volume of 20 L can be used for the wet-oxidation and extraction, and a detection limit of about 0.02 Bq/g(C) can be achieved for water with carbon content above 15 mg(C)/L, obviously lower than the natural level of (14)C in the environment. The collected carbon is sufficient for measurement with a low level liquid scintillation counter (LSC) for typical samples. Extraction or recovery experiments for inorganic carbon and organic carbon from typical materials, including analytical reagents of organic benzoquinone, sucrose, glutamic acid, nicotinic acid, humic acid, ethane diol, et cetera., were conducted with excellent results based on measurement on a total organic carbon analyzer and LSC. The recovery rate for inorganic carbon ranged tween 98.7%-99.0% with a mean of 98.9(± 0.1)%, for organic carbon recovery ranged between 93.8% and 100.0% with a mean of 97.1(± 2.6)%. Verification and an uncertainty budget of the method are also presented for a representative environmental water. The method is appropriate for (14)C analysis in environmental water, and can be applied also to the analysis of liquid effluent from nuclear facilities. Copyright © 2015 Elsevier Ltd. All rights reserved.

Comprehensive Glossary of Nuclear Science

NASA Astrophysics Data System (ADS)

Langlands, Tracy; Stone, Craig; Meyer, Richard

2001-10-01

We have developed a comprehensive glossary of terms covering the broad fields of nuclear and related areas of science. The glossary has been constructed with two sections. A primary section consists of over 6,000 terms covering the fields of nuclear and high energy physics, nuclear chemistry, radiochemistry, health physics, astrophysics, materials science, analytical science, environmental science, nuclear medicine, nuclear engineering, nuclear instrumentation, nuclear weapons, and nuclear safeguards. Approximately 1,500 terms of specific focus on military and nuclear weapons testing define the second section. The glossary is currently larger than many published glossaries and dictionaries covering the entire field of physics. Glossary terms have been defined using an extensive collection of current and historical publications. Historical texts extend back into the 1800's, the early days of atomic physics. The glossary has been developed both as a software application and as a hard copy document.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

This purpose of this report is to summarize the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year 1990. The ACL has four technical groups -- Chemical Analysis, Instrumental Analysis, Organic Analysis, and Environmental Analysis. The Chemical Analysis Group uses wet-chemical and instrumental methods for elemental, compositional, and isotopic analyses of solid, liquid, and gaseous samples and provides specialized analytical services. The Instrumental Analysis Group uses nuclear counting techniques in radiochemical analyses over a wide range of sample types from low-level environmental samples to samples of high radioactivity. The Organic Analysis Group uses amore » number of complementary techniques to separate and to quantitatively and qualitatively analyze complex organic mixtures and compounds at the trace level, including synthetic fuels, toxic substances, fossil-fuel residues and emissions, pollutants, biologically active compounds, pesticides, and drugs. The Environmental Analysis Group performs analyses of inorganic environmental and hazardous waste and coal samples.« less

Metabolomic Technologies for Improving the Quality of Food: Practice and Promise.

PubMed

Johanningsmeier, Suzanne D; Harris, G Keith; Klevorn, Claire M

2016-01-01

It is now well documented that the diet has a significant impact on human health and well-being. However, the complete set of small molecule metabolites present in foods that make up the human diet and the role of food production systems in altering this food metabolome are still largely unknown. Metabolomic platforms that rely on nuclear magnetic resonance (NMR) and mass spectrometry (MS) analytical technologies are being employed to study the impact of agricultural practices, processing, and storage on the global chemical composition of food; to identify novel bioactive compounds; and for authentication and region-of-origin classifications. This review provides an overview of the current terminology, analytical methods, and compounds associated with metabolomic studies, and provides insight into the application of metabolomics to generate new knowledge that enables us to produce, preserve, and distribute high-quality foods for health promotion.

MRI of human hair.

PubMed

Mattle, Eveline; Weiger, Markus; Schmidig, Daniel; Boesiger, Peter; Fey, Michael

2009-06-01

Hair care for humans is a major world industry with specialised tools, chemicals and techniques. Studying the effect of hair care products has become a considerable field of research, and besides mechanical and optical testing numerous advanced analytical techniques have been employed in this area. In the present work, another means of studying the properties of hair is added by demonstrating the feasibility of magnetic resonance imaging (MRI) of the human hair. Established dedicated nuclear magnetic resonance microscopy hardware (solenoidal radiofrequency microcoils and planar field gradients) and methods (constant time imaging) were adapted to the specific needs of hair MRI. Images were produced at a spatial resolution high enough to resolve the inner structure of the hair, showing contrast between cortex and medulla. Quantitative evaluation of a scan series with different echo times provided a T*(2) value of 2.6 ms for the cortex and a water content of about 90% for hairs saturated with water. The demonstration of the feasibility of hair MRI potentially adds a new tool to the large variety of analytical methods used nowadays in the development of hair care products.

Photochemical Degradation of the Anticancer Drug Bortezomib by V-UV/UV (185/254 nm) Investigated by (1)H NMR Fingerprinting: A Way to Follow Aromaticity Evolution.

PubMed

Martignac, Marion; Balayssac, Stéphane; Gilard, Véronique; Benoit-Marquié, Florence

2015-06-18

We have investigated the removal of bortezomib, an anticancer drug prescribed in multiple myeloma, using the photochemical advanced oxidation process of V-UV/UV (185/254 nm). We used two complementary analytical techniques to follow the removal rate of bortezomib. Nuclear magnetic resonance (NMR) is a nonselective method requiring no prior knowledge of the structures of the byproducts and permits us to provide a spectral signature (fingerprinting approach). This untargeted method provides clues to the molecular structure changes and information on the degradation of the parent drug during the irradiation process. This holistic NMR approach could provide information for monitoring aromaticity evolution. We use liquid chromatography, coupled with high-resolution mass spectrometry (LC-MS), to correlate results obtained by (1)H NMR and for accurate identification of the byproducts, in order to understand the mechanistic degradation pathways of bortezomib. The results show that primary byproducts come from photoassisted deboronation of bortezomib at 254 nm. A secondary byproduct of pyrazinecarboxamide was also identified. We obtained a reliable correlation between these two analytical techniques.

Availability of Neutronics Benchmarks in the ICSBEP and IRPhEP Handbooks for Computational Tools Testing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bess, John D.; Briggs, J. Blair; Ivanova, Tatiana

2017-02-01

In the past several decades, numerous experiments have been performed worldwide to support reactor operations, measurements, design, and nuclear safety. Those experiments represent an extensive international investment in infrastructure, expertise, and cost, representing significantly valuable resources of data supporting past, current, and future research activities. Those valuable assets represent the basis for recording, development, and validation of our nuclear methods and integral nuclear data [1]. The loss of these experimental data, which has occurred all too much in the recent years, is tragic. The high cost to repeat many of these measurements can be prohibitive, if not impossible, to surmount.more » Two international projects were developed, and are under the direction of the Organisation for Co-operation and Development Nuclear Energy Agency (OECD NEA) to address the challenges of not just data preservation, but evaluation of the data to determine its merit for modern and future use. The International Criticality Safety Benchmark Evaluation Project (ICSBEP) was established to identify and verify comprehensive critical benchmark data sets; evaluate the data, including quantification of biases and uncertainties; compile the data and calculations in a standardized format; and formally document the effort into a single source of verified benchmark data [2]. Similarly, the International Reactor Physics Experiment Evaluation Project (IRPhEP) was established to preserve integral reactor physics experimental data, including separate or special effects data for nuclear energy and technology applications [3]. Annually, contributors from around the world continue to collaborate in the evaluation and review of select benchmark experiments for preservation and dissemination. The extensively peer-reviewed integral benchmark data can then be utilized to support nuclear design and safety analysts to validate the analytical tools, methods, and data needed for next-generation reactor design, safety analysis requirements, and all other front- and back-end activities contributing to the overall nuclear fuel cycle where quality neutronics calculations are paramount.« less

Quantum mechanical/molecular mechanical/continuum style solvation model: Second order Møller-Plesset perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thellamurege, Nandun M.; Si, Dejun; Cui, Fengchao

A combined quantum mechanical/molecular mechanical/continuum (QM/MM/C) style second order Møller-Plesset perturbation theory (MP2) method that incorporates induced dipole polarizable force field and induced surface charge continuum solvation model is established. The Z-vector method is modified to include induced dipoles and induced surface charges to determine the MP2 response density matrix, which can be used to evaluate MP2 properties. In particular, analytic nuclear gradient is derived and implemented for this method. Using the Assisted Model Building with Energy Refinement induced dipole polarizable protein force field, the QM/MM/C style MP2 method is used to study the hydrogen bonding distances and strengths ofmore » the photoactive yellow protein chromopore in the wild type and the Glu46Gln mutant.« less

A critical evaluation of various methods for the analysis of flow-solid interaction in a nest of thin cylinders subjected to cross flows

NASA Technical Reports Server (NTRS)

Kim, Sang-Wook

1987-01-01

Various experimental, analytical, and numerical analysis methods for flow-solid interaction of a nest of cylinders subjected to cross flows are reviewed. A nest of cylinders subjected to cross flows can be found in numerous engineering applications including the Space Shuttle Maine Engine-Main Injector Assembly (SSME-MIA) and nuclear reactor heat exchangers. Despite its extreme importance in engineering applications, understanding of the flow-solid interaction process is quite limited and design of the tube banks are mostly dependent on experiments and/or experimental correlation equations. For future development of major numerical analysis methods for the flow-solid interaction of a nest of cylinders subjected to cross flow, various turbulence models, nonlinear structural dynamics, and existing laminar flow-solid interaction analysis methods are included.

Fusion Bead Procedure for Nuclear Forensics Employing Synthetic Enstatite to Dissolve Uraniferous and Other Challenging Materials Prior to Laser Ablation Inductively Coupled Plasma Mass Spectrometry.

PubMed

Reading, David G; Croudace, Ian W; Warwick, Phillip E

2017-06-06

There is an increasing demand for rapid and effective analytical tools to support nuclear forensic investigations of seized or suspect materials. Some methods are simply adapted from other scientific disciplines and can effectively be used to rapidly prepare complex materials for subsequent analysis. A novel sample fusion method is developed, tested, and validated to produce homogeneous, flux-free glass beads of geochemical reference materials (GRMs), uranium ores, and uranium ore concentrates (UOC) prior to the analysis of 14 rare earth elements (REE) via laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). The novelty of the procedure is the production of glass beads using 9 parts high purity synthetic enstatite (MgSiO 3 ) as the glass former with 1 part of sample (sample mass ∼1.5 mg). The beads are rapidly prepared (∼10 min overall time) by fusing the blended mixture on an iridium strip resistance heater in an argon-purged chamber. Many elements can be measured in the glass bead, but the rare earth group in particular is a valuable series in nuclear forensic studies and is well-determined using LA-ICP-MS. The REE data obtained from the GRMs, presented as chondrite normalized patterns, are in very good agreement with consensus patterns. The UOCs have comparable patterns to solution ICP-MS methods and published data. The attractions of the current development are its conservation of sample, speed of preparation, and suitability for microbeam analysis, all of which are favorable for nuclear forensics practitioners and geochemists requiring REE patterns from scarce or valuable samples.

Analytical determination of thermal conductivity of W-UO2 and W-UN CERMET nuclear fuels

NASA Astrophysics Data System (ADS)

Webb, Jonathan A.; Charit, Indrajit

2012-08-01

The thermal conductivity of tungsten based CERMET fuels containing UO2 and UN fuel particles are determined as a function of particle geometry, stabilizer fraction and fuel-volume fraction, by using a combination of an analytical approach and experimental data collected from literature. Thermal conductivity is estimated using the Bruggeman-Fricke model. This study demonstrates that thermal conductivities of various CERMET fuels can be analytically predicted to values that are very close to the experimentally determined ones.

Advanced Stochastic Collocation Methods for Polynomial Chaos in RAVEN

NASA Astrophysics Data System (ADS)

Talbot, Paul W.

As experiment complexity in fields such as nuclear engineering continually increases, so does the demand for robust computational methods to simulate them. In many simulations, input design parameters and intrinsic experiment properties are sources of uncertainty. Often small perturbations in uncertain parameters have significant impact on the experiment outcome. For instance, in nuclear fuel performance, small changes in fuel thermal conductivity can greatly affect maximum stress on the surrounding cladding. The difficulty quantifying input uncertainty impact in such systems has grown with the complexity of numerical models. Traditionally, uncertainty quantification has been approached using random sampling methods like Monte Carlo. For some models, the input parametric space and corresponding response output space is sufficiently explored with few low-cost calculations. For other models, it is computationally costly to obtain good understanding of the output space. To combat the expense of random sampling, this research explores the possibilities of using advanced methods in Stochastic Collocation for generalized Polynomial Chaos (SCgPC) as an alternative to traditional uncertainty quantification techniques such as Monte Carlo (MC) and Latin Hypercube Sampling (LHS) methods for applications in nuclear engineering. We consider traditional SCgPC construction strategies as well as truncated polynomial spaces using Total Degree and Hyperbolic Cross constructions. We also consider applying anisotropy (unequal treatment of different dimensions) to the polynomial space, and offer methods whereby optimal levels of anisotropy can be approximated. We contribute development to existing adaptive polynomial construction strategies. Finally, we consider High-Dimensional Model Reduction (HDMR) expansions, using SCgPC representations for the subspace terms, and contribute new adaptive methods to construct them. We apply these methods on a series of models of increasing complexity. We use analytic models of various levels of complexity, then demonstrate performance on two engineering-scale problems: a single-physics nuclear reactor neutronics problem, and a multiphysics fuel cell problem coupling fuels performance and neutronics. Lastly, we demonstrate sensitivity analysis for a time-dependent fuels performance problem. We demonstrate the application of all the algorithms in RAVEN, a production-level uncertainty quantification framework.

Methods for nuclear air-cleaning-system accident-consequence assessment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Andrae, R.W.; Bolstad, J.W.; Gregory, W.S.

1982-01-01

This paper describes a multilaboratory research program that is directed toward addressing many questions that analysts face when performing air cleaning accident consequence assessments. The program involves developing analytical tools and supportive experimental data that will be useful in making more realistic assessments of accident source terms within and up to the atmospheric boundaries of nuclear fuel cycle facilities. The types of accidents considered in this study includes fires, explosions, spills, tornadoes, criticalities, and equipment failures. The main focus of the program is developing an accident analysis handbook (AAH). We will describe the contents of the AAH, which include descriptionsmore » of selected nuclear fuel cycle facilities, process unit operations, source-term development, and accident consequence analyses. Three computer codes designed to predict gas and material propagation through facility air cleaning systems are described. These computer codes address accidents involving fires (FIRAC), explosions (EXPAC), and tornadoes (TORAC). The handbook relies on many illustrative examples to show the analyst how to approach accident consequence assessments. We will use the FIRAC code and a hypothetical fire scenario to illustrate the accident analysis capability.« less

Distribution of nuclei in equilibrium stellar matter from the free-energy density in a Wigner-Seitz cell

NASA Astrophysics Data System (ADS)

Grams, G.; Giraud, S.; Fantina, A. F.; Gulminelli, F.

2018-03-01

The aim of the present study is to calculate the nuclear distribution associated at finite temperature to any given equation of state of stellar matter based on the Wigner-Seitz approximation, for direct applications in core-collapse simulations. The Gibbs free energy of the different configurations is explicitly calculated, with special care devoted to the calculation of rearrangement terms, ensuring thermodynamic consistency. The formalism is illustrated with two different applications. First, we work out the nuclear statistical equilibrium cluster distribution for the Lattimer and Swesty equation of state, widely employed in supernova simulations. Secondly, we explore the effect of including shell structure, and consider realistic nuclear mass tables from the Brussels-Montreal Hartree-Fock-Bogoliubov model (specifically, HFB-24). We show that the whole collapse trajectory is dominated by magic nuclei, with extremely spread and even bimodal distributions of the cluster probability around magic numbers, demonstrating the importance of cluster distributions with realistic mass models in core-collapse simulations. Simple analytical expressions are given, allowing further applications of the method to any relativistic or nonrelativistic subsaturation equation of state.

Persistence of uranium emission in laser-produced plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

LaHaye, N. L.; Harilal, S. S., E-mail: hari@purdue.edu; Diwakar, P. K.

2014-04-28

Detection of uranium and other nuclear materials is of the utmost importance for nuclear safeguards and security. Optical emission spectroscopy of laser-ablated U plasmas has been presented as a stand-off, portable analytical method that can yield accurate qualitative and quantitative elemental analysis of a variety of samples. In this study, optimal laser ablation and ambient conditions are explored, as well as the spatio-temporal evolution of the plasma for spectral analysis of excited U species in a glass matrix. Various Ar pressures were explored to investigate the role that plasma collisional effects and confinement have on spectral line emission enhancement andmore » persistence. The plasma-ambient gas interaction was also investigated using spatially resolved spectra and optical time-of-flight measurements. The results indicate that ambient conditions play a very important role in spectral emission intensity as well as the persistence of excited neutral U emission lines, influencing the appropriate spectral acquisition conditions.« less

Basic Principles of Spectroscopy

NASA Astrophysics Data System (ADS)

Penner, Michael H.

Spectroscopy deals with the production, measurement, and interpretation of spectra arising from the interaction of electromagnetic radiation with matter. There are many different spectroscopic methods available for solving a wide range of analytical problems. The methods differ with respect to the species to be analyzed (such as molecular or atomic spectroscopy), the type of radiation-matter interaction to be monitored (such as absorption, emission, or diffraction), and the region of the electromagnetic spectrum used in the analysis. Spectroscopic methods are very informative and widely used for both quantitative and qualitative analyses. Spectroscopic methods based on the absorption or emission of radiation in the ultraviolet (UV), visible (Vis), infrared (IR), and radio (nuclear magnetic resonance, NMR) frequency ranges are most commonly encountered in traditional food analysis laboratories. Each of these methods is distinct in that it monitors different types of molecular or atomic transitions. The basis of these transitions is explained in the following sections.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rasouli, C.; Abbasi Davani, F.; Rokrok, B.

Plasma confinement using external magnetic field is one of the successful ways leading to the controlled nuclear fusion. Development and validation of the solution process for plasma equilibrium in the experimental toroidal fusion devices is the main subject of this work. Solution of the nonlinear 2D stationary problem as posed by the Grad-Shafranov equation gives quantitative information about plasma equilibrium inside the vacuum chamber of hot fusion devices. This study suggests solving plasma equilibrium equation which is essential in toroidal nuclear fusion devices, using a mesh-free method in a condition that the plasma boundary is unknown. The Grad-Shafranov equation hasmore » been solved numerically by the point interpolation collocation mesh-free method. Important features of this approach include truly mesh free, simple mathematical relationships between points and acceptable precision in comparison with the parametric results. The calculation process has been done by using the regular and irregular nodal distribution and support domains with different points. The relative error between numerical and analytical solution is discussed for several test examples such as small size Damavand tokamak, ITER-like equilibrium, NSTX-like equilibrium, and typical Spheromak.« less

Magnesium Presence Prevents Removal of Antigenic Nuclear-Associated Proteins from Bovine Pericardium for Heart Valve Engineering.

PubMed

Dalgliesh, Ailsa J; Liu, Zhi Zhao; Griffiths, Leigh G

2017-07-01

Current heart valve prostheses are associated with significant complications, including aggressive immune response, limited valve life expectancy, and inability to grow in juvenile patients. Animal derived "tissue" valves undergo glutaraldehyde fixation to mask tissue antigenicity; however, chronic immunological responses and associated calcification still commonly occur. A heart valve formed from an unfixed bovine pericardium (BP) extracellular matrix (ECM) scaffold, in which antigenic burden has been eliminated or significantly reduced, has potential to overcome deficiencies of current bioprostheses. Decellularization and antigen removal methods frequently use sequential solutions extrapolated from analytical chemistry approaches to promote solubility and removal of tissue components from resultant ECM scaffolds. However, the extent to which such prefractionation strategies may inhibit removal of antigenic tissue components has not been explored. We hypothesize that presence of magnesium in prefractionation steps causes DNA precipitation and reduces removal of nuclear-associated antigenic proteins. Keeping all variables consistent bar the addition or absence of magnesium (2 mM magnesium chloride hexahydrate), residual BP ECM scaffold antigenicity and removed antigenicity were assessed, along with residual and removed DNA content, ECM morphology, scaffold composition, and recellularization potential. Furthermore, we used proteomic methods to determine the mechanism by which magnesium presence or absence affects scaffold residual antigenicity. This study demonstrates that absence of magnesium from antigen removal solutions enhances solubility and subsequent removal of antigenic nuclear-associated proteins from BP. We therefore conclude that the primary mechanism of action for magnesium removal during antigen removal processes is avoidance of DNA precipitation, facilitating solubilization and removal of nuclear-associated antigenic proteins. Future studies are necessary to further facilitate solubility and removal of nuclear-associated antigenic proteins from xenogeneic ECM scaffolds, in addition to an in vivo assessing of the material.

Extension of the Dytlewski-style dead time correction formalism for neutron multiplicity counting to any order

NASA Astrophysics Data System (ADS)

Croft, Stephen; Favalli, Andrea

2017-10-01

Neutron multiplicity counting using shift-register calculus is an established technique in the science of international nuclear safeguards for the identification, verification, and assay of special nuclear materials. Typically passive counting is used for Pu and mixed Pu-U items and active methods are used for U materials. Three measured counting rates, singles, doubles and triples are measured and, in combination with a simple analytical point-model, are used to calculate characteristics of the measurement item in terms of known detector and nuclear parameters. However, the measurement problem usually involves more than three quantities of interest, but even in cases where the next higher order count rate, quads, is statistically viable, it is not quantitatively applied because corrections for dead time losses are currently not available in the predominant analysis paradigm. In this work we overcome this limitation by extending the commonly used dead time correction method, developed by Dytlewski, to quads. We also give results for pents, which may be of interest for certain special investigations. Extension to still higher orders, may be accomplished by inspection based on the sequence presented. We discuss the foundations of the Dytlewski method, give limiting cases, and highlight the opportunities and implications that these new results expose. In particular there exist a number of ways in which the new results may be combined with other approaches to extract the correlated rates, and this leads to various practical implementations.

Extension of the Dytlewski-style dead time correction formalism for neutron multiplicity counting to any order

DOE Office of Scientific and Technical Information (OSTI.GOV)

Croft, Stephen; Favalli, Andrea

Here, neutron multiplicity counting using shift-register calculus is an established technique in the science of international nuclear safeguards for the identification, verification, and assay of special nuclear materials. Typically passive counting is used for Pu and mixed Pu-U items and active methods are used for U materials. Three measured counting rates, singles, doubles and triples are measured and, in combination with a simple analytical point-model, are used to calculate characteristics of the measurement item in terms of known detector and nuclear parameters. However, the measurement problem usually involves more than three quantities of interest, but even in cases where themore » next higher order count rate, quads, is statistically viable, it is not quantitatively applied because corrections for dead time losses are currently not available in the predominant analysis paradigm. In this work we overcome this limitation by extending the commonly used dead time correction method, developed by Dytlewski, to quads. We also give results for pents, which may be of interest for certain special investigations. Extension to still higher orders, may be accomplished by inspection based on the sequence presented. We discuss the foundations of the Dytlewski method, give limiting cases, and highlight the opportunities and implications that these new results expose. In particular there exist a number of ways in which the new results may be combined with other approaches to extract the correlated rates, and this leads to various practical implementations.« less

Extension of the Dytlewski-style dead time correction formalism for neutron multiplicity counting to any order

DOE PAGES

Croft, Stephen; Favalli, Andrea

2017-07-16

Here, neutron multiplicity counting using shift-register calculus is an established technique in the science of international nuclear safeguards for the identification, verification, and assay of special nuclear materials. Typically passive counting is used for Pu and mixed Pu-U items and active methods are used for U materials. Three measured counting rates, singles, doubles and triples are measured and, in combination with a simple analytical point-model, are used to calculate characteristics of the measurement item in terms of known detector and nuclear parameters. However, the measurement problem usually involves more than three quantities of interest, but even in cases where themore » next higher order count rate, quads, is statistically viable, it is not quantitatively applied because corrections for dead time losses are currently not available in the predominant analysis paradigm. In this work we overcome this limitation by extending the commonly used dead time correction method, developed by Dytlewski, to quads. We also give results for pents, which may be of interest for certain special investigations. Extension to still higher orders, may be accomplished by inspection based on the sequence presented. We discuss the foundations of the Dytlewski method, give limiting cases, and highlight the opportunities and implications that these new results expose. In particular there exist a number of ways in which the new results may be combined with other approaches to extract the correlated rates, and this leads to various practical implementations.« less

Methods for investigating biosurfactants and bioemulsifiers: a review.

PubMed

Satpute, Surekha K; Banpurkar, Arun G; Dhakephalkar, Prashant K; Banat, Ibrahim M; Chopade, Balu A

2010-06-01

Microorganisms produce biosurfactant (BS)/bioemulsifier (BE) with wide structural and functional diversity which consequently results in the adoption of different techniques to investigate these diverse amphiphilic molecules. This review aims to compile information on different microbial screening methods, surface active products extraction procedures, and analytical terminologies used in this field. Different methods for screening microbial culture broth or cell biomass for surface active compounds production are also presented and their possible advantages and disadvantages highlighted. In addition, the most common methods for purification, detection, and structure determination for a wide range of BS and BE are introduced. Simple techniques such as precipitation using acetone, ammonium sulphate, solvent extraction, ultrafiltration, ion exchange, dialysis, ultrafiltration, lyophilization, isoelectric focusing (IEF), and thin layer chromatography (TLC) are described. Other more elaborate techniques including high pressure liquid chromatography (HPLC), infra red (IR), gas chromatography-mass spectroscopy (GC-MS), nuclear magnetic resonance (NMR), and fast atom bombardment mass spectroscopy (FAB-MS), protein digestion and amino acid sequencing are also elucidated. Various experimental strategies including static light scattering and hydrodynamic characterization for micelles have been discussed. A combination of various analytical methods are often essential in this area of research and a numbers of trials and errors to isolate, purify and characterize various surface active agents are required. This review introduces the various methodologies that are indispensable for studying biosurfactants and bioemulsifiers.

Development of Novel Method for Rapid Extract of Radionuclides from Solution Using Polymer Ligand Film

NASA Astrophysics Data System (ADS)

Rim, Jung H.

Accurate and fast determination of the activity of radionuclides in a sample is critical for nuclear forensics and emergency response. Radioanalytical techniques are well established for radionuclides measurement, however, they are slow and labor intensive, requiring extensive radiochemical separations and purification prior to analysis. With these limitations of current methods, there is great interest for a new technique to rapidly process samples. This dissertation describes a new analyte extraction medium called Polymer Ligand Film (PLF) developed to rapidly extract radionuclides. Polymer Ligand Film is a polymer medium with ligands incorporated in its matrix that selectively and rapidly extract analytes from a solution. The main focus of the new technique is to shorten and simplify the procedure necessary to chemically isolate radionuclides for determination by alpha spectrometry or beta counting. Five different ligands were tested for plutonium extraction: bis(2-ethylhexyl) methanediphosphonic acid (H2DEH[MDP]), di(2-ethyl hexyl) phosphoric acid (HDEHP), trialkyl methylammonium chloride (Aliquat-336), 4,4'(5')-di-t-butylcyclohexano 18-crown-6 (DtBuCH18C6), and 2-ethylhexyl 2-ethylhexylphosphonic acid (HEH[EHP]). The ligands that were effective for plutonium extraction further studied for uranium extraction. The plutonium recovery by PLFs has shown dependency on nitric acid concentration and ligand to total mass ratio. H2DEH[MDP] PLFs performed best with 1:10 and 1:20 ratio PLFs. 50.44% and 47.61% of plutonium were extracted on the surface of PLFs with 1M nitric acid for 1:10 and 1:20 PLF, respectively. HDEHP PLF provided the best combination of alpha spectroscopy resolution and plutonium recovery with 1:5 PLF when used with 0.1M nitric acid. The overall analyte recovery was lower than electrodeposited samples, which typically has recovery above 80%. However, PLF is designed to be a rapid field deployable screening technique and consistency is more important than recovery. PLFs were also tested using blind quality control samples and the activities were accurately measured. It is important to point out that PLFs were consistently susceptible to analytes penetrating and depositing below the surface. The internal radiation within the body of PLF is mostly contained and did not cause excessive self-attenuation and peak broadening in alpha spectroscopy. The analyte penetration issue was beneficial in the destructive analysis. H2DEH[MDP] PLF was tested with environmental samples to fully understand the capabilities and limitations of the PLF in relevant environments. The extraction system was very effective in extracting plutonium from environmental water collected from Mortandad Canyon at Los Alamos National Laboratory with minimal sample processing. Soil samples were tougher to process than the water samples. Analytes were first leached from the soil matrixes using nitric acid before processing with PLF. This approach had a limitation in extracting plutonium using PLF. The soil samples from Mortandad Canyon, which are about 1% iron by weight, were effectively processed with the PLF system. Even with certain limitations of the PLF extraction system, this technique was able to considerably decrease the sample analysis time. The entire environmental sample was analyzed within one to two days. The decrease in time can be attributed to the fact that PLF is replacing column chromatography and electrodeposition with a single step for preparing alpha spectrometry samples. The two-step process of column chromatography and electrodeposition takes a couple days to a week to complete depending on the sample. The decrease in time and the simplified procedure make this technique a unique solution for application to nuclear forensics and emergency response. A large number of samples can be quickly analyzed and selective samples can be further analyzed with more sensitive techniques based on the initial data. The deployment of a PLF system as a screening method will greatly reduce a total analysis time required to gain meaningful isotopic data for the nuclear forensics application. (Abstract shortened by UMI.)

Measurement of the scintillation time spectra and pulse-shape discrimination of low-energy β and nuclear recoils in liquid argon with DEAP-1

DOE PAGES

Amaudruz, P. -A.; Batygov, M.; Beltran, B.; ...

2016-09-17

The DEAP-1 low-background liquid argon detector has been used to measure scintillation pulse shapes of beta decays and nuclear recoil events and to demonstrate the feasibility of pulse-shape discrimination down to an electron-equivalent energy of 20 keV ee. The relative intensities of singlet/triplet states in liquid argon have been measured as a function of energy between 15 and 500 keVee for both beta and nuclear recoils. Using a triple-coincidence tag we find the fraction of beta events that are misidentified as nuclear recoils to be less than 6 x 10 -8 between 43-86 keV ee and that the discrimination parametermore » agrees with a simple analytic model. The discrimination measurement is currently limited by nuclear recoils induced by cosmic-ray generated neutrons, and is expected to improve by operating the detector underground at SNOLAB. The analytic model predicts a beta misidentification fraction of 10 -10 for an electron-equivalent energy threshold of 20 keV ee. This reduction allows for a sensitive search for spin-independent scattering of WIMPs from 1000 kg of liquid argon with a WIMP-nucleon cross-section sensitivity of 10 -46 cm 2.« less

Measurement of the scintillation time spectra and pulse-shape discrimination of low-energy β and nuclear recoils in liquid argon with DEAP-1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Amaudruz, P. -A.; Batygov, M.; Beltran, B.

The DEAP-1 low-background liquid argon detector has been used to measure scintillation pulse shapes of beta decays and nuclear recoil events and to demonstrate the feasibility of pulse-shape discrimination down to an electron-equivalent energy of 20 keV ee. The relative intensities of singlet/triplet states in liquid argon have been measured as a function of energy between 15 and 500 keVee for both beta and nuclear recoils. Using a triple-coincidence tag we find the fraction of beta events that are misidentified as nuclear recoils to be less than 6 x 10 -8 between 43-86 keV ee and that the discrimination parametermore » agrees with a simple analytic model. The discrimination measurement is currently limited by nuclear recoils induced by cosmic-ray generated neutrons, and is expected to improve by operating the detector underground at SNOLAB. The analytic model predicts a beta misidentification fraction of 10 -10 for an electron-equivalent energy threshold of 20 keV ee. This reduction allows for a sensitive search for spin-independent scattering of WIMPs from 1000 kg of liquid argon with a WIMP-nucleon cross-section sensitivity of 10 -46 cm 2.« less

Dynamics of Electron Transfer for a Nonsuperexchange Coherent Mechanism. I

DTIC Science & Technology

1989-10-13

observation. In the treatment three collective nuclear coordinates are introduced, permitting independent reorganization energies for each reactive center... nuclear coordinates are introduced, permitting independent reorganization energies for each reactive center. With certain approximations, namely, equal...numerically. One rough but simple analytical result for the latter is also given. tPresent address: Departmento de Quimica , Facultad de Ciencias

On-Line Monitoring and Diagnostics of the Integrity of Nuclear Plant Steam Generators and Heat Exchangers, Volumes 1, 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Upadhyaya, Belle R.; Hines, J. Wesley; Lu, Baofu

2005-06-03

The overall purpose of this Nuclear Engineering Education Research (NEER) project was to integrate new, innovative, and existing technologies to develop a fault diagnostics and characterization system for nuclear plant steam generators (SG) and heat exchangers (HX). Issues related to system level degradation of SG and HX tubing, including tube fouling, performance under reduced heat transfer area, and the damage caused by stress corrosion cracking, are the important factors that influence overall plant operation, maintenance, and economic viability of nuclear power systems. The research at The University of Tennessee focused on the development of techniques for monitoring process and structuralmore » integrity of steam generators and heat exchangers. The objectives of the project were accomplished by the completion of the following tasks. All the objectives were accomplished during the project period. This report summarizes the research and development activities, results, and accomplishments during June 2001 September 2004. Development and testing of a high-fidelity nodal model of a U-tube steam generator (UTSG) to simulate the effects of fouling and to generate a database representing normal and degraded process conditions. Application of the group method of data handling (GMDH) method for process variable prediction. Development of a laboratory test module to simulate particulate fouling of HX tubes and its effect on overall thermal resistance. Application of the GMDH technique to predict HX fluid temperatures, and to compare with the calculated thermal resistance.Development of a hybrid modeling technique for process diagnosis and its evaluation using laboratory heat exchanger test data. Development and testing of a sensor suite using piezo-electric devices for monitoring structural integrity of both flat plates (beams) and tubing. Experiments were performed in air, and in water with and without bubbly flow. Development of advanced signal processing methods using wavelet transforms and image processing techniques for isolating flaw types. Development and implementation of a new nonlinear and non-stationary signal processing method, called the Hilbert-Huang transform (HHT), for flaw detection and location. This is a more robust and adaptive approach compared to the wavelet transform.Implementation of a moving-window technique in the time domain for detecting and quantifying flaw types in tubular structures. A window zooming technique was also developed for flaw location in tubes. Theoretical study of elastic wave propagation (longitudinal and shear waves) in metallic flat plates and tubing with and without flaws. Simulation of the Lamb wave propagation using the finite-element code ABAQUS. This enabled the verification of the experimental results. The research tasks included both analytical research and experimental studies. The experimental results helped to enhance the robustness of fault monitoring methods and to provide a systematic verification of the analytical results. The results of this research were disseminated in scientific meetings. The journal manuscript titled, "Structural Integrity Monitoring of Steam generator Tubing Using Transient Acoustic Signal Analysis," was published in IEEE Trasactions on Nuclear Science, Vol. 52, No. 1, February 2005. The new findings of this research have potential applications in aerospace and civil structures. The report contains a complete bibliography that was developed during the course of the project.« less

Dissolution of aerosol particles collected from nuclear facility plutonium production process

DOE PAGES

Xu, Ning; Martinez, Alexander; Schappert, Michael Francis; ...

2015-08-14

Here, a simple, robust analytical chemistry method has been developed to dissolve plutonium containing particles in a complex matrix. The aerosol particles collected on Marple cascade impactor substrates were shown to be dissolved completely with an acid mixture of 12 M HNO 3 and 0.1 M HF. A pressurized closed vessel acid digestion technique was utilized to heat the samples at 130 °C for 16 h to facilitate the digestion. The dissolution efficiency for plutonium particles was 99 %. The resulting particle digestate solution was suitable for trace elemental analysis and isotope composition determination, as well as radiochemistry measurements.

Iron meteorite fragment studied by atomic and nuclear analytical methods

NASA Astrophysics Data System (ADS)

Cesnek, Martin; Štefánik, Milan; Kmječ, Tomáš; Miglierini, Marcel

2016-10-01

Chemical and structural compositions of a fragment of Sikhote-Alin iron meteorite were investigated by X-ray fluorescence analysis (XRF), neutron activation analysis (NAA) and Mössbauer spectroscopy (MS). XRF and NAA revealed the presence of chemical elements which are characteristic for iron meteorites. XRF also showed a significant amount of Si and Al on the surface of the fragment. MS spectra revealed possible presence of α-Fe(Ni, Co) phase with different local Ni concentration. Furthermore, paramagnetic singlet was detected in Mössbauer spectra recorded at room temperature and at 4.2 K.

Flow tests of a single fuel element coolant channel for a compact fast reactor for space power

NASA Technical Reports Server (NTRS)

Springborn, R. H.

1971-01-01

Water flow tests were conducted on a single-fuel-element cooling channel for a nuclear concept to be used for space power. The tests established a method for measuring coolant flow rate which is applicable to water flow testing of a complete mockup of the reference reactor. The inlet plenum-to-outlet plenum pressure drop, which approximates the overall core pressure drop, was measured and correlated with flow rate. This information can be used for reactor coolant flow and heat transfer calculations. An analytical study of the flow characteristics was also conducted.

Preliminary Design of a SP-100/Stirling Radiatively Coupled Heat Exchanger

NASA Technical Reports Server (NTRS)

Schmitz, Paul; Tower, Leonard; Dawson, Ronald; Blue, Brian; Dunn, Pat

1995-01-01

Several methods for coupling the SP-100 space nuclear reactor to the NASA Lewis Research Center's Free Piston Stirling Power Convertor (FPSPC) are presented. A 25 kWe, dual opposed Stirling convertor configuration is used in these designs. The concepts use radiative coupling between the SP-100 lithium loop and the sodium heat pipe of the Stirling convertor to transfer the heat from the reactor to the convertor. Four separate configurations are presented. Masses for the four designs vary from 41 to 176 kgs. Each design's structure, heat transfer characteristics, and heat pipe performance are analytically modeled.

Preliminary design of a SP-100/Stirling radiatively coupled heat exchanger

NASA Astrophysics Data System (ADS)

Schmitz, Paul; Tower, Leonard; Dawson, Ronald; Blue, Brian; Dunn, Pat

1995-10-01

Several methods for coupling the SP-100 space nuclear reactor to the NASA Lewis Research Center's Free Piston Stirling Power Convertor (FPSPC) are presented. A 25 kWe, dual opposed Stirling convertor configuration is used in these designs. The concepts use radiative coupling between the SP-100 lithium loop and the sodium heat pipe of the Stirling convertor to transfer the heat from the reactor to the convertor. Four separate configurations are presented. Masses for the four designs vary from 41 to 176 kgs. Each design's structure, heat transfer characteristics, and heat pipe performance are analytically modeled.

Transport methods and interactions for space radiations

NASA Technical Reports Server (NTRS)

Wilson, John W.; Townsend, Lawrence W.; Schimmerling, Walter S.; Khandelwal, Govind S.; Khan, Ferdous S.; Nealy, John E.; Cucinotta, Francis A.; Simonsen, Lisa C.; Shinn, Judy L.; Norbury, John W.

1991-01-01

A review of the program in space radiation protection at the Langley Research Center is given. The relevant Boltzmann equations are given with a discussion of approximation procedures for space applications. The interaction coefficients are related to solution of the many-body Schroedinger equation with nuclear and electromagnetic forces. Various solution techniques are discussed to obtain relevant interaction cross sections with extensive comparison with experiments. Solution techniques for the Boltzmann equations are discussed in detail. Transport computer code validation is discussed through analytical benchmarking, comparison with other codes, comparison with laboratory experiments and measurements in space. Applications to lunar and Mars missions are discussed.

Advanced nanomaterials

NASA Astrophysics Data System (ADS)

Titus, Elby; Ventura, João; Pedro Araújo, João; Campos Gil, João

2017-12-01

Nanomaterials provide a remarkably novel outlook to the design and fabrication of materials. The know-how of designing, modelling and fabrication of nanomaterials demands sophisticated experimental and analytical techniques. The major impact of nanomaterials will be in the fields of electronics, energy and medicine. Nanoelectronics hold the promise of improving the quality of life of electronic devices through superior performance, weight reduction and lower power consumption. New energy production systems based on hydrogen, solar and nuclear sources have also benefited immensely from nanomaterials. In modern medicine, nanomaterials research will have great impact on public health care due to better diagnostic methods and design of novel drugs.

Spectroelectrochemistry as a Strategy for Improving Selectivity of Sensors for Security and Defense Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heineman, William R.; Seliskar, Carl J.; Morris, Laura K.

2012-12-19

Spectroelectrochemistry provides improved selectivity for sensors by electrochemically modulating the optical signal associated with the analyte. The sensor consists of an optically transparent electrode (OTE) coated with a film that preconcentrates the target analyte. The OTE functions as an optical waveguide for attenuated total reflectance (ATR) spectroscopy, which detects the analyte by absorption. Alternatively, the OTE can serve as the excitation light for fluorescence detection, which is generally more sensitive than absorption. The analyte partitions into the film, undergoes an electrochemical redox reaction at the OTE surface, and absorbs or emits light in its oxidized or reduced state. The changemore » in the optical response associated with electrochemical oxidation or reduction at the OTE is used to quantify the analyte. Absorption sensors for metal ion complexes such as [Fe(CN)6]4- and [Ru(bpy)3]2+ and fluorescence sensors for [Ru(bpy)3]2+ and the polycyclic aromatic hydrocarbon 1-hydroxypyrene have been developed. The sensor concept has been extended to binding assays for a protein using avidin–biotin and 17β-estradiol–anti-estradiol antibodies. The sensor has been demonstrated to measure metal complexes in complex samples such as nuclear waste and natural water. This sensor has qualities needed for security and defense applications that require a high level of selectivity and good detection limits for target analytes in complex samples. Quickly monitoring and designating intent of a nuclear program by measuring the Ru/Tc fission product ratio is such an application.« less

Measurement instruments for automatically monitoring the water chemistry of reactor coolant at nuclear power stations equipped with VVER reactors. Selection of measurement instruments and experience gained from their operation at Russian and foreign NPSs

NASA Astrophysics Data System (ADS)

Ivanov, Yu. A.

2007-12-01

An analytical review is given of Russian and foreign measurement instruments employed in a system for automatically monitoring the water chemistry of the reactor coolant circuit and used in the development of projects of nuclear power stations equipped with VVER-1000 reactors and the nuclear station project AES 2006. The results of experience gained from the use of such measurement instruments at nuclear power stations operating in Russia and abroad are presented.

Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions.

PubMed

Blood-Forsythe, Martin A; Markovich, Thomas; DiStasio, Robert A; Car, Roberto; Aspuru-Guzik, Alán

2016-03-01

An accurate treatment of the long-range electron correlation energy, including van der Waals (vdW) or dispersion interactions, is essential for describing the structure, dynamics, and function of a wide variety of systems. Among the most accurate models for including dispersion into density functional theory (DFT) is the range-separated many-body dispersion (MBD) method [A. Ambrosetti et al. , J. Chem. Phys. , 2014, 140 , 18A508], in which the correlation energy is modeled at short-range by a semi-local density functional and at long-range by a model system of coupled quantum harmonic oscillators. In this work, we develop analytical gradients of the MBD energy with respect to nuclear coordinates, including all implicit coordinate dependencies arising from the partitioning of the charge density into Hirshfeld effective volumes. To demonstrate the efficiency and accuracy of these MBD gradients for geometry optimizations of systems with intermolecular and intramolecular interactions, we optimized conformers of the benzene dimer and isolated small peptides with aromatic side-chains. We find excellent agreement with the wavefunction theory reference geometries of these systems (at a fraction of the computational cost) and find that MBD consistently outperforms the popular TS and D3(BJ) dispersion corrections. To demonstrate the performance of the MBD model on a larger system with supramolecular interactions, we optimized the C 60 @C 60 H 28 buckyball catcher host-guest complex. In our analysis, we also find that neglecting the implicit nuclear coordinate dependence arising from the charge density partitioning, as has been done in prior numerical treatments, leads to an unacceptable error in the MBD forces, with relative errors of ∼20% (on average) that can extend well beyond 100%.

Glow discharge spectrometry for the characterization of nuclear and radioactively contaminated environmental samples

NASA Astrophysics Data System (ADS)

Betti, Maria; Aldave de las Heras, Laura

2004-09-01

Glow discharge (GD) spectrometry as applied to characterize nuclear samples as well as for the determination of radionuclides in environmental samples is reviewed. The use of instrumentation for direct current (d.c.) glow discharge mass spectrometry (GDMS) and radio frequency glow discharge optical emission spectrometry (rf GDOES), installed inside a glove-box for the handling of radioactive samples as well as the two installations and their analytical possibilities, is described in detail. The applications of GD techniques for the characterization of samples of nuclear concern both with respect to their major and trace elements, as well as to the matrix isotopic composition are presented. Procedures for quantitative determination of major, minor, and trace elements in conductive samples are reported. As for non-conductive samples three different approaches for their measurement can be followed. Namely, the use of rf sources, the mixing of the sample with a binder conducting host matrix, and the use of a secondary cathode. In the case of oxide-based samples, the employment of a tantalum secondary cathode, acting as an oxygen getter, reduces the availability of oxygen to form polyatomic species and to produce quenching. Considerations on the use of the relative sensitivity factors (RSFs) in different matrices are reported. The analytical capabilities of GDMS are compared with ICP-MS in terms of accuracy, precision, and detection limit for the determination of trace elements in uranium oxide specimens. As for the determination of isotopic composition, GDMS was found to be competitive with thermal ionisation mass spectrometry (TIMS) as well as for bulk determinations of major elements with titration methods. Applications of GDMS to the determination of radioisotopes in environmental samples, as well for depth profiling of trace elements in oxide layers, are discussed.

Determination of strontium-90 from direct separation of yttrium-90 by solid phase extraction using DGA Resin for seawater monitoring.

PubMed

Tazoe, Hirofumi; Obata, Hajime; Yamagata, Takeyasu; Karube, Zin'ichi; Nagai, Hisao; Yamada, Masatoshi

2016-05-15

It is important for public safety to monitor strontium-90 in aquatic environments in the vicinity of nuclear related facilities. Strontium-90 concentrations in seawater exceeding the background level have been observed in accidents of nuclear facilities. However, the analytical procedure for measuring strontium-90 in seawater is highly demanding. Here we show a simple and high throughput analytical technique for the determination of strontium-90 in seawater samples using a direct yttrium-90 separation. The DGA Resin is used to determine the abundance of strontium-90 by detecting yttrium-90 decay (beta-emission) in secular equilibrium. The DGA Resin can selectively collect yttrium-90 and remove naturally occurring radionuclides such as (40)K, (210)Pb, (214)Bi, (238)U, and (232)Th and anthropogenic radionuclides such as (140)Ba, and (140)La. Through a sample separation procedure, a high chemical yield of yttrium-90 was achieved at 95.5±2.3%. The result of IAEA-443 certified seawater analysis (107.7±3.4 mBq kg(-1)) was in good agreement with the certified value (110±5 mBq kg(-1)). By developed method, we can finish analyzing 8 samples per day after achieving secular equilibrium, which is a reasonably fast throughput in actual seawater monitoring. By processing 3 L of seawater sample and applying a counting time of 20 h, minimum detectable activity can be as low as 1.5 mBq kg(-1), which could be applied to monitoring for the contaminated marine environment. Reproducibility was found to be 3.4% according to 10 independent analyses of natural seawater samples from the vicinity of the Fukushima Daiichi Nuclear Power Plant in September 2013. Copyright © 2016 Elsevier B.V. All rights reserved.

Elemental analysis by IBA and NAA — A critical comparison

NASA Astrophysics Data System (ADS)

Watterson, J. I. W.

1988-12-01

In this review neutron activation analysis (NAA) and ion beam analysis (IBA) have been compared in the context of the entire field of analytical science using the discipline of scientometrics, as developed by Braun and Lyon. This perspective on the relative achievements of the two methods is modified by considering and comparing their particular attributes and characteristics, particularly in relation to their differing degree of maturity. This assessment shows that NAA, as the more mature method, is the most widely applied nuclear technique, but the special capabilities of IBA give it the ability to provide information about surface composition and elemental distribution that is unique, while it is still relatively immature and it is not yet possible to define its ultimate role with any confidence.

Development of computer-based analytical tool for assessing physical protection system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mardhi, Alim, E-mail: alim-m@batan.go.id; Chulalongkorn University, Faculty of Engineering, Nuclear Engineering Department, 254 Phayathai Road, Pathumwan, Bangkok Thailand. 10330; Pengvanich, Phongphaeth, E-mail: ppengvan@gmail.com

Assessment of physical protection system effectiveness is the priority for ensuring the optimum protection caused by unlawful acts against a nuclear facility, such as unauthorized removal of nuclear materials and sabotage of the facility itself. Since an assessment based on real exercise scenarios is costly and time-consuming, the computer-based analytical tool can offer the solution for approaching the likelihood threat scenario. There are several currently available tools that can be used instantly such as EASI and SAPE, however for our research purpose it is more suitable to have the tool that can be customized and enhanced further. In this work,more » we have developed a computer–based analytical tool by utilizing the network methodological approach for modelling the adversary paths. The inputs are multi-elements in security used for evaluate the effectiveness of the system’s detection, delay, and response. The tool has capability to analyze the most critical path and quantify the probability of effectiveness of the system as performance measure.« less

Development of computer-based analytical tool for assessing physical protection system

NASA Astrophysics Data System (ADS)

Mardhi, Alim; Pengvanich, Phongphaeth

2016-01-01

Assessment of physical protection system effectiveness is the priority for ensuring the optimum protection caused by unlawful acts against a nuclear facility, such as unauthorized removal of nuclear materials and sabotage of the facility itself. Since an assessment based on real exercise scenarios is costly and time-consuming, the computer-based analytical tool can offer the solution for approaching the likelihood threat scenario. There are several currently available tools that can be used instantly such as EASI and SAPE, however for our research purpose it is more suitable to have the tool that can be customized and enhanced further. In this work, we have developed a computer-based analytical tool by utilizing the network methodological approach for modelling the adversary paths. The inputs are multi-elements in security used for evaluate the effectiveness of the system's detection, delay, and response. The tool has capability to analyze the most critical path and quantify the probability of effectiveness of the system as performance measure.

Psychoanalysis and the nuclear threat

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levine, H.B.; Jacobs, D.; Rubin, L.J.

1988-01-01

{ital Psychoanalysis and the Nuclear Threat} provides coverage of the dynamic and clinical considerations that follow from life in the nuclear age. Of special clinical interest are chapters dealing with the developmental consequences of the nuclear threat in childhood, adolescence, and adulthood, and those exploring the technical issues raised by the occurrence in analytic and psychotherapeutic hours of material related to the nuclear threat. Additional chapters bring a psychoanalytic perspective to bear on such issues as the need to have enemies, silence as the real crime, love, work, and survival in the nuclear age, the relationship of the nuclear threatmore » to issues of mourning and melancholia, apocalyptic fantasies, the paranoid process, considerations of the possible impact of gender on the nuclear threat, and the application of psychoanalytic thinking to nuclear arms strategy. Finally, the volume includes the first case report in the English language---albeit a brief psychotherapy---involving the treatment of a Hiroshima survivor.« less

Nuclear event zero-time calculation and uncertainty evaluation.

PubMed

Pan, Pujing; Ungar, R Kurt

2012-04-01

It is important to know the initial time, or zero-time, of a nuclear event such as a nuclear weapon's test, a nuclear power plant accident or a nuclear terrorist attack (e.g. with an improvised nuclear device, IND). Together with relevant meteorological information, the calculated zero-time is used to help locate the origin of a nuclear event. The zero-time of a nuclear event can be derived from measured activity ratios of two nuclides. The calculated zero-time of a nuclear event would not be complete without an appropriately evaluated uncertainty term. In this paper, analytical equations for zero-time and the associated uncertainty calculations are derived using a measured activity ratio of two nuclides. Application of the derived equations is illustrated in a realistic example using data from the last Chinese thermonuclear test in 1980. Crown Copyright © 2011. Published by Elsevier Ltd. All rights reserved.

State of practice and emerging application of analytical techniques of nuclear forensic analysis: highlights from the 4th Collaborative Materials Exercise of the Nuclear Forensics International Technical Working Group (ITWG)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwantes, Jon M.; Marsden, Oliva; Pellegrini, Kristi L.

Founded in 1996 upon the initiative of the “Group of 8” governments (G8), the Nuclear Forensics International Technical Working Group (ITWG) is an ad hoc organization of official nuclear forensics practitioners (scientists, law enforcement, and regulators) that can be called upon to provide technical assistance to the global community in the event of a seizure of nuclear or radiological materials. The ITWG is supported by and is affiliated with roughly 40 countries and international partner organizations including the International Atomic Energy Agency (IAEA), EURATOM, INTERPOL, EUROPOL, and the United Nations Interregional Crime and Justice Research Institute (UNICRI). Besides providing amore » network of nuclear forensics laboratories that are able to assist law enforcement during a nuclear smuggling event, the ITWG is also committed to the advancement of the science of nuclear forensic analysis, largely through participation in periodic table top and Collaborative Materials Exercises (CMXs). Exercise scenarios use “real world” samples with realistic forensics investigation time constraints and reporting requirements. These exercises are designed to promote best practices in the field and test, evaluate, and improve new technical capabilities, methods and techniques in order to advance the science of nuclear forensics. The ITWG recently completed its fourth CMX in the 20 year history of the organization. This was also the largest materials exercise to date, with participating laboratories from 16 countries or organizations. Three samples of low enriched uranium were shipped to these laboratories as part of an illicit trafficking scenario, for which each laboratory was asked to conduct nuclear forensic analyses in support of a fictitious criminal investigation. An objective review of the State Of Practice and Art of international nuclear forensic analysis based upon the outcome of this most recent exercise is provided.« less

Rapid determination of strontium-90 by solid phase extraction using DGA Resin® for seawater monitoring

NASA Astrophysics Data System (ADS)

Tazoe, H.; Obata, H.; Yamagata, T.; Karube, Z.; Yamada, M.

2015-12-01

Strontium-90 concentrations in seawater exceeding the background level have been observed at the accidents of nuclear facilities, such as Chernobyl and Fukushima. However, analytical procedure for strontium-90 in seawater is still quite complicated and challenging. Here we show a simple and rapid analytical technique for the determination of strontium-90 in seawater samples without time-consuming separation of strontium from calcium. The separation with DGA Resin® is used to determine the abundance of strontium-90, which selectively collects yttrium-90, progeny of strontium-90. Naturally occurring radioactive nuclides (such as potassium, lead, bismuth, uranium, and thorium) and anthropogenic radionuclides (such as cesium, barium, lanthanum, and cerium) were separated from yttrium. Through a sample separation procedure, a high chemical yield of yttrium-90 was achieved at 93.9 % for seawater. The result of IAEA 443 certified seawater analysis was in good agreement with the certified value. At 20 hrs counting a lower detection limit of 1.5 mBq L-1 was obtained from 3 L of seawater. The proposed method can finish analyzing 8 samples per day, which is a reasonably fast throughput in actual seawater monitoring. Reproducibility was found to be 3.4 % according to 10 separate analyses of natural seawater samples from the vicinity of Fukushima Daiichi Nuclear Power Plant in September 2013.

Analytic treatment of nuclear spin-lattice relaxation for diffusion in a cone model

NASA Astrophysics Data System (ADS)

Sitnitsky, A. E.

2011-12-01

We consider nuclear spin-lattice relaxation rate resulted from a diffusion equation for rotational wobbling in a cone. We show that the widespread point of view that there are no analytical expressions for correlation functions for wobbling in a cone model is invalid and prove that nuclear spin-lattice relaxation in this model is exactly tractable and amenable to full analytical description. The mechanism of relaxation is assumed to be due to dipole-dipole interaction of nuclear spins and is treated within the framework of the standard Bloemberger, Purcell, Pound-Solomon scheme. We consider the general case of arbitrary orientation of the cone axis relative the magnetic field. The BPP-Solomon scheme is shown to remain valid for systems with the distribution of the cone axes depending only on the tilt relative the magnetic field but otherwise being isotropic. We consider the case of random isotropic orientation of cone axes relative the magnetic field taking place in powders. Also we consider the cases of their predominant orientation along or opposite the magnetic field and that of their predominant orientation transverse to the magnetic field which may be relevant for, e.g., liquid crystals. Besides we treat in details the model case of the cone axis directed along the magnetic field. The latter provides direct comparison of the limiting case of our formulas with the textbook formulas for free isotropic rotational diffusion. The dependence of the spin-lattice relaxation rate on the cone half-width yields results similar to those predicted by the model-free approach.

Validation of the analytical methods in the LWR code BOXER for gadolinium-loaded fuel pins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paratte, J.M.; Arkuszewski, J.J.; Kamboj, B.K.

1990-01-01

Due to the very high absorption occurring in gadolinium-loaded fuel pins, calculations of lattices with such pins present are a demanding test of the analysis methods in light water reactor (LWR) cell and assembly codes. Considerable effort has, therefore, been devoted to the validation of code methods for gadolinia fuel. The goal of the work reported in this paper is to check the analysis methods in the LWR cell/assembly code BOXER and its associated cross-section processing code ETOBOX, by comparison of BOXER results with those from a very accurate Monte Carlo calculation for a gadolinium benchmark problem. Initial results ofmore » such a comparison have been previously reported. However, the Monte Carlo calculations, done with the MCNP code, were performed at Los Alamos National Laboratory using ENDF/B-V data, while the BOXER calculations were performed at the Paul Scherrer Institute using JEF-1 nuclear data. This difference in the basic nuclear data used for the two calculations, caused by the restricted nature of these evaluated data files, led to associated uncertainties in a comparison of the results for methods validation. In the joint investigations at the Georgia Institute of Technology and PSI, such uncertainty in this comparison was eliminated by using ENDF/B-V data for BOXER calculations at Georgia Tech.« less

Atomic magnetic gradiometer for room temperature high sensitivity magnetic field detection

DOEpatents

Xu, Shoujun [Berkeley, CA; Lowery, Thomas L [Belmont, MA; Budker, Dmitry [El Cerrito, CA; Yashchuk, Valeriy V [Richmond, CA; Wemmer, David E [Berkeley, CA; Pines, Alexander [Berkeley, CA

2009-08-11

A laser-based atomic magnetometer (LBAM) apparatus measures magnetic fields, comprising: a plurality of polarization detector cells to detect magnetic fields; a laser source optically coupled to the polarization detector cells; and a signal detector that measures the laser source after being coupled to the polarization detector cells, which may be alkali cells. A single polarization cell may be used for nuclear magnetic resonance (NMR) by prepolarizing the nuclear spins of an analyte, encoding spectroscopic and/or spatial information, and detecting NMR signals from the analyte with a laser-based atomic magnetometer to form NMR spectra and/or magnetic resonance images (MRI). There is no need of a magnetic field or cryogenics in the detection step, as it is detected through the LBAM.

Chiral capillary electrophoresis and nuclear magnetic resonance investigation on the structure-enantioselectivity relationship in synthetic cyclopeptides as chiral selectors.

PubMed

De Lorenzi, E; Massolini, G; Molinari, P; Galbusera, C; Longhi, R; Marinzi, C; Consonni, R; Chiari, M

2001-04-01

In the present work, synthetic cyclohexa- and cycloheptapeptides previously singled out by a combinatorial chemistry approach have been evaluated as chiral selectors in capillary electrophoresis. By applying the countercurrent migration technique and employing a new adsorbed coating, a series of dinitrophenyl amino acids as well as some chiral compounds of pharmaceutical interest have been evaluated for enantiorecognition. The results thus obtained led to a deeper investigation of the chiral discrimination process, by carrying out nuclear magnetic resonance (NMR) studies on selected cyclopeptide-analyte complexes. These studies shed light on the chemical groups involved in the analyte-selector interaction and provided useful information for a wider application of these cyclopeptides in the separation of other drug enantiomers.

A per-cent-level determination of the nucleon axial coupling from quantum chromodynamics.

PubMed

Chang, C C; Nicholson, A N; Rinaldi, E; Berkowitz, E; Garron, N; Brantley, D A; Monge-Camacho, H; Monahan, C J; Bouchard, C; Clark, M A; Joó, B; Kurth, T; Orginos, K; Vranas, P; Walker-Loud, A

2018-06-01

The axial coupling of the nucleon, g A , is the strength of its coupling to the weak axial current of the standard model of particle physics, in much the same way as the electric charge is the strength of the coupling to the electromagnetic current. This axial coupling dictates the rate at which neutrons decay to protons, the strength of the attractive long-range force between nucleons and other features of nuclear physics. Precision tests of the standard model in nuclear environments require a quantitative understanding of nuclear physics that is rooted in quantum chromodynamics, a pillar of the standard model. The importance of g A makes it a benchmark quantity to determine theoretically-a difficult task because quantum chromodynamics is non-perturbative, precluding known analytical methods. Lattice quantum chromodynamics provides a rigorous, non-perturbative definition of quantum chromodynamics that can be implemented numerically. It has been estimated that a precision of two per cent would be possible by 2020 if two challenges are overcome 1,2 : contamination of g A from excited states must be controlled in the calculations and statistical precision must be improved markedly 2-10 . Here we use an unconventional method 11 inspired by the Feynman-Hellmann theorem that overcomes these challenges. We calculate a g A value of 1.271 ± 0.013, which has a precision of about one per cent.

Monitoring lactic acid production during milk fermentation by in situ quantitative proton nuclear magnetic resonance spectroscopy.

PubMed

Bouteille, R; Gaudet, M; Lecanu, B; This, H

2013-04-01

When fermenting milk, lactic bacteria convert part of α- and β-lactoses into d- and l- lactic acids, causing a pH decrease responsible for casein coagulation. Lactic acid monitoring during fermentation is essential for the control of dairy gel textural and organoleptic properties, and is a way to evaluate strain efficiency. Currently, titrations are used to follow the quantity of acids formed during jellification of milk but they are not specific to lactic acid. An analytical method without the use of any reagent was investigated to quantify lactic acid during milk fermentation: in situ quantitative proton nuclear magnetic resonance spectroscopy. Two methods using in situ quantitative proton nuclear magnetic resonance spectroscopy were compared: (1) d- and l-lactic acids content determination, using the resonance of their methyl protons, showing an increase from 2.06 ± 0.02 to 8.16 ± 0.74 g/L during 240 min of fermentation; and (2) the determination of the α- and β-lactoses content, decreasing from 42.68 ± 0.02 to 30.76 ± 1.75 g/L for the same fermentation duration. The ratio between the molar concentrations of produced lactic acids and consumed lactoses enabled cross-validation, as the value (2.02 ± 0.18) is consistent with lactic acid bacteria metabolism. Copyright © 2013 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

A Comparative Study of Single-pulse and Double-pulse Laser-Induced Breakdown Spectroscopy with Uranium-containing Samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skrodzki, P. J.; Becker, J. R.; Diwakar, P. K.

Laser-induced breakdown spectroscopy (LIBS) holds potential advantages in special nuclear material (SNM) sensing and nuclear forensics which require rapid analysis, minimal sample preparation and stand-off distance capability. SNM, such as U, however, result in crowded emission spectra with LIBS, and characteristic emission lines are challenging to discern. It is well-known that double-pulse LIBS (DPLIBS) improves the signal intensity for analytes over conventional single-pulse LIBS (SPLIBS). This study investigates U signal in a glass matrix using DPLIBS and compares to signal features obtained using SPLIBS. DPLIBS involves sequential firing of 1.06 µm Nd:YAG pre-pulse and 10.6 µm TEA CO2 heating pulsemore » in near collinear geometry. Optimization of experimental parameters including inter-pulse delay and energy follows identification of characteristic lines and signals for bulk analyte Ca and minor constituent analyte U for both DPLIBS and SPLIBS. Spatial and temporal coupling of the two pulses in the proposed DPLIBS technique yields improvements in analytical merits with negligible further damage to the sample compared to SPLIBS. Subsequently, the study discusses optimum plasma emission conditions of U lines and relative figures of merit in both SPLIBS and DPLIBS. Investigation into plasma characteristics also addresses plausible mechanisms related to observed U analyte signal variation between SPLIBS and DPLIBS.« less

Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study

NASA Astrophysics Data System (ADS)

Gharabaghi, Masumeh; Shahbazian, Shant

2017-04-01

The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.

PubMed

Gharabaghi, Masumeh; Shahbazian, Shant

2017-04-21

The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

Electrically-Generated Spin Polarization in Non-Magnetic Semiconductors

DTIC Science & Technology

2016-03-31

resolved Faraday rotation data due to electron spin polarization from previous pump pulses was characterized, and an analytic solution for this phase...electron spin polarization was shown to produce nuclear hyperpolarization through dynamic nuclear polarization. Time-resolved Faraday rotation...Distribution approved for public release. 3    Figure 3. Total magnetic field measured using time-resolved Faraday rotation with the electrically

Comparison of Measured Leakage Current Distributions with Calculated Damage Energy Distributions in HgCdTe

NASA Technical Reports Server (NTRS)

Marshall, C. J.; Ladbury, R.; Marshall, P. W.; Reed, R. A.; Howe, C.; Weller, B.; Mendenhall, M.; Waczynski, A.; Jordan, T. M.; Fodness, B.

2006-01-01

This paper presents a combined Monte Carlo and analytic approach to the calculation of the pixel-to-pixel distribution of proton-induced damage in a HgCdTe sensor array and compares the results to measured dark current distributions after damage by 63 MeV protons. The moments of the Coulombic, nuclear elastic and nuclear inelastic damage distribution were extracted from Monte Carlo simulations and combined to form a damage distribution using the analytic techniques first described in [I]. The calculations show that the high energy recoils from the nuclear inelastic reactions (calculated using the Monte Car10 code MCNPX [2]) produce a pronounced skewing of the damage energy distribution. The nuclear elastic component (also calculated using the MCNPX) has a negligible effect on the shape of the damage distribution. The Coulombic contribution was calculated using MRED [3,4], a Geant4 [4,5] application. The comparison with the dark current distribution strongly suggests that mechanisms which are not linearly correlated with nonionizing damage produced according to collision kinematics are responsible for the observed dark current increases. This has important implications for the process of predicting the on-orbit dark current response of the HgCdTe sensor array.

Effective Floquet Hamiltonian theory of multiple-quantum NMR in anisotropic solids involving quadrupolar spins: Challenges and Perspectives

NASA Astrophysics Data System (ADS)

Ganapathy, Vinay; Ramachandran, Ramesh

2017-10-01

The response of a quadrupolar nucleus (nuclear spin with I > 1/2) to an oscillating radio-frequency pulse/field is delicately dependent on the ratio of the quadrupolar coupling constant to the amplitude of the pulse in addition to its duration and oscillating frequency. Consequently, analytic description of the excitation process in the density operator formalism has remained less transparent within existing theoretical frameworks. As an alternative, the utility of the "concept of effective Floquet Hamiltonians" is explored in the present study to explicate the nuances of the excitation process in multilevel systems. Employing spin I = 3/2 as a case study, a unified theoretical framework for describing the excitation of multiple-quantum transitions in static isotropic and anisotropic solids is proposed within the framework of perturbation theory. The challenges resulting from the anisotropic nature of the quadrupolar interactions are addressed within the effective Hamiltonian framework. The possible role of the various interaction frames on the convergence of the perturbation corrections is discussed along with a proposal for a "hybrid method" for describing the excitation process in anisotropic solids. Employing suitable model systems, the validity of the proposed hybrid method is substantiated through a rigorous comparison between simulations emerging from exact numerical and analytic methods.

Numeric kinetic energy operators for molecules in polyspherical coordinates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sadri, Keyvan; Meyer, Hans-Dieter; Lauvergnat, David

Generalized curvilinear coordinates, as, e.g., polyspherical coordinates, are in general better adapted to the resolution of the nuclear Schroedinger equation than rectilinear ones like the normal mode coordinates. However, analytical expressions of the kinetic energy operators (KEOs) for molecular systems in polyspherical coordinates may be prohibitively complicated for large systems. In this paper we propose a method to generate a KEO numerically and bring it to a form practicable for dynamical calculations. To examine the new method we calculated vibrational spectra and eigenenergies for nitrous acid (HONO) and compare it with results obtained with an exact analytical KEO derived previouslymore » [F. Richter, P. Rosmus, F. Gatti, and H.-D. Meyer, J. Chem. Phys. 120, 6072 (2004)]. In a second example we calculated {pi}{yields}{pi}* photoabsorption spectrum and eigenenergies of ethene (C{sub 2}H{sub 4}) and compared it with previous work [M. R. Brill, F. Gatti, D. Lauvergnat, and H.-D. Meyer, Chem. Phys. 338, 186 (2007)]. In this ethene study the dimensionality was reduced from 12 to 6 by freezing six internal coordinates. Results for both molecules show that the proposed method for obtaining an approximate KEO is reliable for dynamical calculations. The error in eigenenergies was found to be below 1 cm{sup -1} for most states calculated.« less

Analytical energy gradient for the two-component normalized elimination of the small component method

NASA Astrophysics Data System (ADS)

Zou, Wenli; Filatov, Michael; Cremer, Dieter

2015-06-01

The analytical gradient for the two-component Normalized Elimination of the Small Component (2c-NESC) method is presented. The 2c-NESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac spin-orbit (SO) splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000)]. The effect of spin-orbit coupling (SOC) on molecular geometries is analyzed utilizing the properties of the frontier orbitals and calculated SO couplings. It is shown that bond lengths can either be lengthened or shortened under the impact of SOC where in the first case the influence of low lying excited states with occupied antibonding orbitals plays a role and in the second case the jj-coupling between occupied antibonding and unoccupied bonding orbitals dominates. In general, the effect of SOC on bond lengths is relatively small (≤5% of the scalar relativistic changes in the bond length). However, large effects are found for van der Waals complexes Hg2 and Cn2, which are due to the admixture of more bonding character to the highest occupied spinors.

Modern analytics for synthetically derived complex drug substances: NMR, AFFF-MALS, and MS tests for glatiramer acetate.

PubMed

Rogstad, Sarah; Pang, Eric; Sommers, Cynthia; Hu, Meng; Jiang, Xiaohui; Keire, David A; Boyne, Michael T

2015-11-01

Glatiramer acetate (GA) is a mixture of synthetic copolymers consisting of four amino acids (glutamic acid, lysine, alanine, and tyrosine) with a labeled molecular weight range of 5000 to 9000 Da. GA is marketed as Copaxone™ by Teva for the treatment of multiple sclerosis. Here, the agency has evaluated the structure and composition of GA and a commercially available comparator, Copolymer-1. Modern analytical technologies which can characterize these complex mixtures are desirable for analysis of their comparability and structural "sameness." In the studies herein, a molecular fingerprinting approach is taken using mass-accurate mass spectrometry (MS) analysis, nuclear magnetic resonance (NMR) (1D-(1)H-NMR, 1D-(13)C-NMR, and 2D NMR), and asymmetric field flow fractionation (AFFF) coupled with multi-angle light scattering (MALS) for an in-depth characterization of three lots of the marketplace drug and a formulated sample of the comparator. Statistical analyses were applied to the MS and AFFF-MALS data to assess these methods' ability to detect analytical differences in the mixtures. The combination of multiple orthogonal measurements by liquid chromatography coupled with MS (LC-MS), AFFF-MALS, and NMR on the same sample set was found to be fit for the intended purpose of distinguishing analytical differences between these complex mixtures of peptide chains.

Improved characterization of the botanical origin of sugar by carbon-13 SNIF-NMR applied to ethanol.

PubMed

Thomas, Freddy; Randet, Celia; Gilbert, Alexis; Silvestre, Virginie; Jamin, Eric; Akoka, Serge; Remaud, Gerald; Segebarth, Nicolas; Guillou, Claude

2010-11-24

Until now, no analytical method, not even isotopic ones, had been able to differentiate between sugars coming from C4-metabolism plants (cane, maize, etc.) and some crassulacean acid metabolism plants (e.g., pineapple, agave) because in both cases the isotope distributions of the overall carbon-13/carbon-12 and site-specific deuterium/hydrogen isotope ratios are very similar. Following recent advances in the field of quantitative isotopic carbon-13 NMR measurements, a procedure for the analysis of the positional carbon-13/carbon-12 isotope ratios of ethanol derived from the sugars of pineapples and agave using the site-specific natural isotopic fractionation-nuclear magnetic resonance (SNIF-NMR) method is presented. It is shown that reproducible results can be obtained when appropriate analytical conditions are used. When applied to pineapple juice, this new method demonstrates a unique ability to detect cane and maize sugar, which are major potential adulterants, with a detection limit in the order of 15% of the total sugars, which provides an efficient mean of controlling the authenticity of juices made from this specific fruit. When applied to tequila products, this new method demonstrates a unique ability to unambiguously differentiate authentic 100% agave tequila, as well as misto tequila (made from at least 51% agave), from products made from a larger proportion of cane or maize sugar and therefore not complying with the legal definition of tequila.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferrell, Jack R; Ware, Anne E

Two catalytic fast pyrolysis (CFP) oils (bottom/heavy fraction) were analyzed in various solvents that are used in common analytical methods (nuclear magnetic resonance - NMR, gas chromatography - GC, gel permeation chromatography - GPC, thermogravimetric analysis - TGA) for oil characterization and speciation. A more accurate analysis of the CFP oils can be obtained by identification and exploitation of solvent miscibility characteristics. Acetone and tetrahydrofuran can be used to completely solubilize CFP oils for analysis by GC and tetrahydrofuran can be used for traditional organic GPC analysis of the oils. DMSO-d6 can be used to solubilize CFP oils for analysismore » by 13C NMR. The fractionation of oils into solvents that did not completely solubilize the whole oils showed that miscibility can be related to the oil properties. This allows for solvent selection based on physico-chemical properties of the oils. However, based on semi-quantitative comparisons of the GC chromatograms, the organic solvent fractionation schemes did not speciate the oils based on specific analyte type. On the other hand, chlorinated solvents did fractionate the oils based on analyte size to a certain degree. Unfortunately, like raw pyrolysis oil, the matrix of the CFP oils is complicated and is not amenable to simple liquid-liquid extraction (LLE) or solvent fractionation to separate the oils based on the chemical and/or physical properties of individual components. For reliable analyses, for each analytical method used, it is critical that the bio-oil sample is both completely soluble and also not likely to react with the chosen solvent. The adoption of the standardized solvent selection protocols presented here will allow for greater reproducibility of analysis across different users and facilities.« less

Investigation of hydrophobic substrates for solution residue analysis utilizing an ambient desorption liquid sampling-atmospheric pressure glow discharge microplasma.

PubMed

Paing, Htoo W; Marcus, R Kenneth

2018-03-12

A practical method for preparation of solution residue samples for analysis utilizing the ambient desorption liquid sampling-atmospheric pressure glow discharge optical emission spectroscopy (AD-LS-APGD-OES) microplasma is described. Initial efforts involving placement of solution aliquots in wells drilled into copper substrates, proved unsuccessful. A design-of-experiment (DOE) approach was carried out to determine influential factors during sample deposition including solution volume, solute concentration, number of droplets deposited, and the solution matrix. These various aspects are manifested in the mass of analyte deposited as well as the size/shape of the product residue. Statistical analysis demonstrated that only those initial attributes were significant factors towards the emission response of the analyte. Various approaches were investigated to better control the location/uniformity of the deposited sample. Three alternative substrates, a glass slide, a poly(tetrafluoro)ethylene (PTFE) sheet, and a polydimethylsiloxane (PDMS)-coated glass slide, were evaluated towards the microplasma analytical performance. Co-deposition with simple organic dyes provided an accurate means of determining the location of the analyte with only minor influence on emission responses. The PDMS-coated glass provided the best performance by virtue of its providing a uniform spatial distribution of the residue material. This uniformity yielded an improved limits of detection by approximately 22× for 20 μL and 4 x for 2 μL over the other two substrates. While they operate by fundamentally different processes, this choice of substrate is not restricted to the LS-APGD, but may also be applicable to other AD methods such as DESI, DART, or LIBS. Further developments will be directed towards a field-deployable ambient desorption OES source for quantitative analysis of microvolume solution residues of nuclear forensics importance.

Reanalysis of a 15-year Archive of IMPROVE Samples

NASA Astrophysics Data System (ADS)

Hyslop, N. P.; White, W. H.; Trzepla, K.

2013-12-01

The IMPROVE (Interagency Monitoring of PROtected Visual Environments) network monitors aerosol concentrations at 170 remote sites throughout the United States. Twenty-four-hour filter samples of particulate matter are collected every third day and analyzed for chemical composition. About 30 of the sites have operated continuously since 1988, and the sustained data record (http://views.cira.colostate.edu/web/) offers a unique window on regional aerosol trends. All elemental analyses have been performed by Crocker Nuclear Laboratory at the University of California in Davis, and sample filters collected since 1995 are archived on campus. The suite of reported elements has remained constant, but the analytical methods employed for their determination have evolved. For example, the elements Na - Mn were determined by PIXE until November 2001, then by XRF analysis in a He-flushed atmosphere through 2004, and by XRF analysis in vacuum since January 2005. In addition to these fundamental changes, incompletely-documented operational factors such as detector performance and calibration details have introduced variations in the measurements. Because the past analytical methods were non-destructive, the archived filters can be re-analyzed with the current analytical systems and protocols. The 15-year sample archives from Great Smoky Mountains, Mount Rainier, and Point Reyes National Parks were selected for reanalysis. The agreement between the new analyses and original determinations varies with element and analytical era (Figure 1). Temporal trends for some elements are affected by these changes in measurement technique while others are not (Figure 2). Figure 1. Repeatability of analyses for sulfur and vanadium at Great Smoky Mountains National Park. Each point shows the ratio of mass loadings determined by the original analysis and recent reanalysis. Major method distinctions are indicated at the top. Figure 2. Trends, based on Thiel-Sen regression, in lead concentrations based on the original and reanalysis data.

An analytical study on excitation of nuclear-coupled thermal-hydraulic instability due to seismically induced resonance in BWR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hirano, Masashi

1997-07-01

This paper describes the results of a scoping study on seismically induced resonance of nuclear-coupled thermal-hydraulic instability in BWRs, which was conducted by using TRAC-BF1 within a framework of a point kinetics model. As a result of the analysis, it is shown that a reactivity insertion could occur accompanied by in-surge of coolant into the core resulted from the excitation of the nuclear-coupled instability by the external acceleration. In order to analyze this phenomenon more in detail, it is necessary to couple a thermal-hydraulic code with a three-dimensional nuclear kinetics code.

Analytic functions for potential energy curves, dipole moments, and transition dipole moments of LiRb molecule.

PubMed

You, Yang; Yang, Chuan-Lu; Wang, Mei-Shan; Ma, Xiao-Guang; Liu, Wen-Wang; Wang, Li-Zhi

2016-01-15

The analytic potential energy functions (APEFs) of the X(1)Σ(+), 2(1)Σ(+), a(3)Σ(+), and 2(3)Σ(+) states of the LiRb molecule are obtained using Morse long-range potential energy function with damping function and nonlinear least-squares method. These calculations were based on the potential energy curves (PECs) calculated using the multi-reference configuration interaction (MRCI) method. The reliability of the APEFs is confirmed using the curves of their first and second derivatives. By using the obtained APEFs, the rotational and vibrational energy levels of the states are determined by solving the Schrödinger equation of nuclear movement. The spectroscopic parameters, which are deduced using Dunham expansion, and the obtained rotational and vibrational levels are compared with the reported theoretical and experimental values. The correlation effect of the electrons of the inner shell remarkably improves the results compared with the experimental spectroscopic parameters. For the first time, the APEFs for the dipole moments and transition dipole moments of the states have been determined based on the curves obtained from the MRCI calculations. Copyright © 2015 Elsevier B.V. All rights reserved.

Nodal Green’s Function Method Singular Source Term and Burnable Poison Treatment in Hexagonal Geometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

A.A. Bingham; R.M. Ferrer; A.M. ougouag

2009-09-01

An accurate and computationally efficient two or three-dimensional neutron diffusion model will be necessary for the development, safety parameters computation, and fuel cycle analysis of a prismatic Very High Temperature Reactor (VHTR) design under Next Generation Nuclear Plant Project (NGNP). For this purpose, an analytical nodal Green’s function solution for the transverse integrated neutron diffusion equation is developed in two and three-dimensional hexagonal geometry. This scheme is incorporated into HEXPEDITE, a code first developed by Fitzpatrick and Ougouag. HEXPEDITE neglects non-physical discontinuity terms that arise in the transverse leakage due to the transverse integration procedure application to hexagonal geometry andmore » cannot account for the effects of burnable poisons across nodal boundaries. The test code being developed for this document accounts for these terms by maintaining an inventory of neutrons by using the nodal balance equation as a constraint of the neutron flux equation. The method developed in this report is intended to restore neutron conservation and increase the accuracy of the code by adding these terms to the transverse integrated flux solution and applying the nodal Green’s function solution to the resulting equation to derive a semi-analytical solution.« less

Analytical and Numerical Solutions of Generalized Fokker-Planck Equations - Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prinja, Anil K.

The overall goal of this project was to develop advanced theoretical and numerical techniques to quantitatively describe the spreading of a collimated beam of charged particles in space, in angle, and in energy, as a result of small deflection, small energy transfer Coulomb collisions with the target nuclei and electrons. Such beams arise in several applications of great interest in nuclear engineering, and include electron and ion radiotherapy, ion beam modification of materials, accelerator transmutation of waste, and accelerator production of tritium, to name some important candidates. These applications present unique and difficult modeling challenges, but from the outset aremore » amenable to the language of ''transport theory'', which is very familiar to nuclear engineers and considerably less-so to physicists and material scientists. Thus, our approach has been to adopt a fundamental description based on transport equations, but the forward peakedness associated with charged particle interactions precludes a direct application of solution methods developed for neutral particle transport. Unique problem formulations and solution techniques are necessary to describe the transport and interaction of charged particles. In particular, we have developed the Generalized Fokker-Planck (GFP) approach to describe the angular and radial spreading of a collimated beam and a renormalized transport model to describe the energy-loss straggling of an initially monoenergetic distribution. Both analytic and numerical solutions have been investigated and in particular novel finite element numerical methods have been developed. In the first phase of the project, asymptotic methods were used to develop closed form solutions to the GFP equation for different orders of expansion, and was described in a previous progress report. In this final report we present a detailed description of (i) a novel energy straggling model based on a Fokker-Planck approximation but which is adapted for a multigroup transport setting, and (ii) two unique families of discontinuous finite element schemes, one linear and the other nonlinear.« less

Extremely accurate sequential verification of RELAP5-3D

DOE PAGES

Mesina, George L.; Aumiller, David L.; Buschman, Francis X.

2015-11-19

Large computer programs like RELAP5-3D solve complex systems of governing, closure and special process equations to model the underlying physics of nuclear power plants. Further, these programs incorporate many other features for physics, input, output, data management, user-interaction, and post-processing. For software quality assurance, the code must be verified and validated before being released to users. For RELAP5-3D, verification and validation are restricted to nuclear power plant applications. Verification means ensuring that the program is built right by checking that it meets its design specifications, comparing coding to algorithms and equations and comparing calculations against analytical solutions and method ofmore » manufactured solutions. Sequential verification performs these comparisons initially, but thereafter only compares code calculations between consecutive code versions to demonstrate that no unintended changes have been introduced. Recently, an automated, highly accurate sequential verification method has been developed for RELAP5-3D. The method also provides to test that no unintended consequences result from code development in the following code capabilities: repeating a timestep advancement, continuing a run from a restart file, multiple cases in a single code execution, and modes of coupled/uncoupled operation. In conclusion, mathematical analyses of the adequacy of the checks used in the comparisons are provided.« less

Bilinear Factor Matrix Norm Minimization for Robust PCA: Algorithms and Applications.

PubMed

Shang, Fanhua; Cheng, James; Liu, Yuanyuan; Luo, Zhi-Quan; Lin, Zhouchen

2017-09-04

The heavy-tailed distributions of corrupted outliers and singular values of all channels in low-level vision have proven effective priors for many applications such as background modeling, photometric stereo and image alignment. And they can be well modeled by a hyper-Laplacian. However, the use of such distributions generally leads to challenging non-convex, non-smooth and non-Lipschitz problems, and makes existing algorithms very slow for large-scale applications. Together with the analytic solutions to Lp-norm minimization with two specific values of p, i.e., p=1/2 and p=2/3, we propose two novel bilinear factor matrix norm minimization models for robust principal component analysis. We first define the double nuclear norm and Frobenius/nuclear hybrid norm penalties, and then prove that they are in essence the Schatten-1/2 and 2/3 quasi-norms, respectively, which lead to much more tractable and scalable Lipschitz optimization problems. Our experimental analysis shows that both our methods yield more accurate solutions than original Schatten quasi-norm minimization, even when the number of observations is very limited. Finally, we apply our penalties to various low-level vision problems, e.g. moving object detection, image alignment and inpainting, and show that our methods usually outperform the state-of-the-art methods.

A comparison study on the use of Dowex 1 and TEVA-resin in determination of 99Tc in environmental and nuclear coolant samples in a SIA system with ICP-MS detection.

PubMed

Kołacińska, Kamila; Samczyński, Zbigniew; Dudek, Jakub; Bojanowska-Czajka, Anna; Trojanowicz, Marek

2018-07-01

This work refers to a comparative study of sorbents widely used in determinations of 99 Tc such as TEVA resin and Dowex 1. Despite having a similar functional group of quaternary amines, both materials represent different chromatographic methods-extraction (TEVA resin) and anion exchange (Dowex 1)-which provides a diverse range of their properties significant in determination of 99 Tc in flow conditions. The comparative tests, carried out in a SIA-LOV (Sequential Injection Analysis-Lab-on-Valve) system combined with mass spectrometric (ICP-MS) detection, considered several factors that are crucial from the standpoint of resin´s utility such as sorption capacity, durability, or selectivity, critical in 99 Tc separation from interferences. The developed and optimized analytical procedure based on the application of the TEVA resin provided determinations of 99 Tc at minimum detectable limit (MDL) 6.00 mBq L -1 in 50 min and has been successfully employed in analyses of samples from nuclear industrial and research units (reactor coolant and sewage) as well as from the river surrounding the nuclear reactor. The method proved to be sufficient for routine analysis of water samples in accordance with EPA standards. The reliability of the method was confirmed in the analysis of the BH standard provided by the NPL for inter-laboratory proficiency tests. The 99 Tc recovery for all real samples was evaluated as 80-100%. Copyright © 2018 Elsevier B.V. All rights reserved.

Analytical study of nozzle performance for nuclear thermal rockets

NASA Technical Reports Server (NTRS)

Davidian, Kenneth O.; Kacynski, Kenneth J.

1991-01-01

A parametric study has been conducted by the NASA-Lewis Rocket Engine Design Expert System for the convergent-divergent nozzle of the Nuclear Thermal Rocket system, which uses a nuclear reactor to heat hydrogen to high temperature and then expands it through the nozzle. It is established by the study that finite-rate chemical reactions lower performance levels from theoretical levels. Major parametric roles are played by chamber temperature and chamber pressure. A maximum performance of 930 sec is projected at 2700 K, and of 1030 at 3100 K.

Polymer mobilization and drug release during tablet swelling. A 1H NMR and NMR microimaging study.

PubMed

Dahlberg, Carina; Fureby, Anna; Schuleit, Michael; Dvinskikh, Sergey V; Furó, István

2007-09-26

The objective of this study was to investigate the swelling characteristics of a hydroxypropyl methylcellulose (HPMC) matrix incorporating the hydrophilic drug antipyrine. We have used this matrix to introduce a novel analytical method, which allows us to obtain within one experimental setup information about the molecular processes of the polymer carrier and its impact on drug release. Nuclear magnetic resonance (NMR) imaging revealed in situ the swelling behavior of tablets when exposed to water. By using deuterated water, the spatial distribution and molecular dynamics of HPMC and their kinetics during swelling could be observed selectively. In parallel, NMR spectroscopy provided the concentration of the drug released into the aqueous phase. We find that both swelling and release are diffusion controlled. The ability of monitoring those two processes using the same experimental setup enables mapping their interconnection, which points on the importance and potential of this analytical technique for further application in other drug delivery forms.

Development of characterization protocol for mixed liquid radioactive waste classification

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zakaria, Norasalwa, E-mail: norasalwa@nuclearmalaysia.gov.my; Wafa, Syed Asraf; Wo, Yii Mei

2015-04-29

Mixed liquid organic waste generated from health-care and research activities containing tritium, carbon-14, and other radionuclides posed specific challenges in its management. Often, these wastes become legacy waste in many nuclear facilities and being considered as ‘problematic’ waste. One of the most important recommendations made by IAEA is to perform multistage processes aiming at declassification of the waste. At this moment, approximately 3000 bottles of mixed liquid waste, with estimated volume of 6000 litres are currently stored at the National Radioactive Waste Management Centre, Malaysia and some have been stored for more than 25 years. The aim of this studymore » is to develop a characterization protocol towards reclassification of these wastes. The characterization protocol entails waste identification, waste screening and segregation, and analytical radionuclides profiling using various analytical procedures including gross alpha/ gross beta, gamma spectrometry, and LSC method. The results obtained from the characterization protocol are used to establish criteria for speedy classification of the waste.« less

Sustainable energy planning decision using the intuitionistic fuzzy analytic hierarchy process: choosing energy technology in Malaysia

NASA Astrophysics Data System (ADS)

Abdullah, Lazim; Najib, Liana

2016-04-01

Energy consumption for developing countries is sharply increasing due to the higher economic growth due to industrialisation along with population growth and urbanisation. The increasing demand of energy leads to global energy crisis. Selecting the best energy technology and conservation requires both quantitative and qualitative evaluation criteria. The fuzzy set-based approach is one of the well-known theories to handle fuzziness, uncertainty in decision-making and vagueness of information. This paper proposes a new method of intuitionistic fuzzy analytic hierarchy process (IF-AHP) to deal with the uncertainty in decision-making. The new IF-AHP is applied to establish a preference in the sustainable energy planning decision-making problem. Three decision-makers attached with Malaysian government agencies were interviewed to provide linguistic judgement prior to analysing with the new IF-AHP. Nuclear energy has been decided as the best alternative in energy planning which provides the highest weight among all the seven alternatives.

Advanced Image Acquisition and Analytical Techniques for Studies of Living Cells and Tissue Sections.

PubMed

Franek, Michal; Suchánková, Jana; Sehnalová, Petra; Krejčí, Jana; Legartová, Soňa; Kozubek, Stanislav; Večeřa, Josef; Sorokin, Dmitry V; Bártová, Eva

2016-04-01

Studies on fixed samples or genome-wide analyses of nuclear processes are useful for generating snapshots of a cell population at a particular time point. However, these experimental approaches do not provide information at the single-cell level. Genome-wide studies cannot assess variability between individual cells that are cultured in vitro or originate from different pathological stages. Immunohistochemistry and immunofluorescence are fundamental experimental approaches in clinical laboratories and are also widely used in basic research. However, the fixation procedure may generate artifacts and prevents monitoring of the dynamics of nuclear processes. Therefore, live-cell imaging is critical for studying the kinetics of basic nuclear events, such as DNA replication, transcription, splicing, and DNA repair. This review is focused on the advanced microscopy analyses of the cells, with a particular focus on live cells. We note some methodological innovations and new options for microscope systems that can also be used to study tissue sections. Cornerstone methods for the biophysical research of living cells, such as fluorescence recovery after photobleaching and fluorescence resonance energy transfer, are also discussed, as are studies on the effects of radiation at the individual cellular level.

Neutron flux characterization of californium-252 Neutron Research Facility at the University of Texas - Pan American by nuclear analytical technique

NASA Astrophysics Data System (ADS)

Wahid, Kareem; Sanchez, Patrick; Hannan, Mohammad

2014-03-01

In the field of nuclear science, neutron flux is an intrinsic property of nuclear reaction facilities that is the basis for experimental irradiation calculations and analysis. In the Rio Grande Valley (Texas), the UTPA Neutron Research Facility (NRF) is currently the only neutron facility available for experimental research purposes. The facility is comprised of a 20-microgram californium-252 neutron source surrounded by a shielding cascade containing different irradiation cavities. Thermal and fast neutron flux values for the UTPA NRF have yet to be fully investigated and may be of particular interest to biomedical studies in low neutron dose applications. Though a variety of techniques exist for the characterization of neutron flux, neutron activation analysis (NAA) of metal and nonmetal foils is a commonly utilized experimental method because of its detection sensitivity and availability. The aim of our current investigation is to employ foil activation in the determination of neutron flux values for the UTPA NSRF for further research purposes. Neutron spectrum unfolding of the acquired experimental data via specialized software and subsequent comparison for consistency with computational models lends confidence to the results.

Charge renormalization at the large-D limit for N-electron atoms and weakly bound systems

NASA Astrophysics Data System (ADS)

Kais, S.; Bleil, R.

1995-05-01

We develop a systematic way to determine an effective nuclear charge ZRD such that the Hartree-Fock results will be significantly closer to the exact energies by utilizing the analytically known large-D limit energies. This method yields an expansion for the effective nuclear charge in powers of (1/D), which we have evaluated to the first order. This first order approximation to the desired effective nuclear charge has been applied to two-electron atoms with Z=2-20, and weakly bound systems such as H-. The errors for the two-electron atoms when compared with exact results were reduced from ˜0.2% for Z=2 to ˜0.002% for large Z. Although usual Hartree-Fock calculations for H- show this to be unstable, our results reduce the percent error of the Hartree-Fock energy from 7.6% to 1.86% and predicts the anion to be stable. For N-electron atoms (N=3-18, Z=3-28), using only the zeroth order approximation for the effective charge significantly reduces the error of Hartree-Fock calculations and recovers more than 80% of the correlation energy.

Experimental determination of torsion angles in the polypeptide backbone of the gramicidin A channel by solid state nuclear magnetic resonance.

PubMed

Teng, Q; Nicholson, L K; Cross, T A

1991-04-05

An analytical method for the determination of torsion angles from solid state 15N nuclear magnetic resonance (n.m.r.) spectroscopic data is demonstrated. Advantage is taken of the 15N-1H and 15N-13C dipolar interactions as well as the 15N chemical shift interaction in oriented samples. The membrane-bound channel conformation of gramicidin A has eluded an atomic resolution structure determination by more traditional approaches. Here, the torsion angles for the Ala3 site are determined by obtaining the n.m.r. data for both the Gly2-Ala3 and Ala3-Leu4 peptide linkages. Complete utilization of the orientational constraints derived from these orientation-dependent nuclear spin interactions in restricting the conformational space is most effectively achieved by utilizing spherical trigonometry. Two possible sets of torsion angles for the Ala3 site are obtained (phi, psi = -129 degrees, 153 degrees and -129 degrees, 122 degrees), both of which are consistent with a right-handed beta-helix. Other functional and computational evidence strongly supports the set for which the carbonyl oxygen atom of the Ala3-Leu4 linkage is rotated into the channel lumen.

On-line high-performance liquid chromatography-ultraviolet-nuclear magnetic resonance method of the markers of nerve agents for verification of the Chemical Weapons Convention.

PubMed

Mazumder, Avik; Gupta, Hemendra K; Garg, Prabhat; Jain, Rajeev; Dubey, Devendra K

2009-07-03

This paper details an on-flow liquid chromatography-ultraviolet-nuclear magnetic resonance (LC-UV-NMR) method for the retrospective detection and identification of alkyl alkylphosphonic acids (AAPAs) and alkylphosphonic acids (APAs), the markers of the toxic nerve agents for verification of the Chemical Weapons Convention (CWC). Initially, the LC-UV-NMR parameters were optimized for benzyl derivatives of the APAs and AAPAs. The optimized parameters include stationary phase C(18), mobile phase methanol:water 78:22 (v/v), UV detection at 268nm and (1)H NMR acquisition conditions. The protocol described herein allowed the detection of analytes through acquisition of high quality NMR spectra from the aqueous solution of the APAs and AAPAs with high concentrations of interfering background chemicals which have been removed by preceding sample preparation. The reported standard deviation for the quantification is related to the UV detector which showed relative standard deviations (RSDs) for quantification within +/-1.1%, while lower limit of detection upto 16mug (in mug absolute) for the NMR detector. Finally the developed LC-UV-NMR method was applied to identify the APAs and AAPAs in real water samples, consequent to solid phase extraction and derivatization. The method is fast (total experiment time approximately 2h), sensitive, rugged and efficient.

A Statistical Testing Approach for Quantifying Software Reliability; Application to an Example System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chu, Tsong-Lun; Varuttamaseni, Athi; Baek, Joo-Seok

The U.S. Nuclear Regulatory Commission (NRC) encourages the use of probabilistic risk assessment (PRA) technology in all regulatory matters, to the extent supported by the state-of-the-art in PRA methods and data. Although much has been accomplished in the area of risk-informed regulation, risk assessment for digital systems has not been fully developed. The NRC established a plan for research on digital systems to identify and develop methods, analytical tools, and regulatory guidance for (1) including models of digital systems in the PRAs of nuclear power plants (NPPs), and (2) incorporating digital systems in the NRC's risk-informed licensing and oversight activities.more » Under NRC's sponsorship, Brookhaven National Laboratory (BNL) explored approaches for addressing the failures of digital instrumentation and control (I and C) systems in the current NPP PRA framework. Specific areas investigated included PRA modeling digital hardware, development of a philosophical basis for defining software failure, and identification of desirable attributes of quantitative software reliability methods. Based on the earlier research, statistical testing is considered a promising method for quantifying software reliability. This paper describes a statistical software testing approach for quantifying software reliability and applies it to the loop-operating control system (LOCS) of an experimental loop of the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL).« less

International Technical Working Group Round Robin Tests

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dudder, Gordon B.; Hanlen, Richard C.; Herbillion, Georges M.

The goal of nuclear forensics is to develop a preferred approach to support illicit trafficking investigations. This approach must be widely understood and accepted as credible. The principal objectives of the Round Robin Tests are to prioritize forensic techniques and methods, evaluate attribution capabilities, and examine the utility of database. The HEU (Highly Enriched Uranium) Round Robin, and previous Plutonium Round Robin, have made tremendous contributions to fulfilling these goals through a collaborative learning experience that resulted from the outstanding efforts of the nine participating internal laboratories. A prioritized list of techniques and methods has been developed based on thismore » exercise. Current work is focused on the extent to which the techniques and methods can be generalized. The HEU Round Robin demonstrated a rather high level of capability to determine the important characteristics of the materials and processes using analytical methods. When this capability is combined with the appropriate knowledge/database, it results in a significant capability to attribute the source of the materials to a specific process or facility. A number of shortfalls were also identified in the current capabilities including procedures for non-nuclear forensics and the lack of a comprehensive network of data/knowledge bases. The results of the Round Robin will be used to develop guidelines or a ''recommended protocol'' to be made available to the interested authorities and countries to use in real cases.« less

Nuclear-physical analysis methods in medical geology: Assessment of the impact of environmental factors on human health

NASA Astrophysics Data System (ADS)

Gorbunov, A. V.; Lyapunov, S. M.; Okina, O. I.; Frontas'eva, M. V.; Pavlov, S. S.; Il'chenko, I. N.

2015-05-01

The procedure for geomedical studies is outlined, and the niche occupied by the nuclear-physical analysis methods in these studies is pointed out. The necessity of construction of an efficient complex of the most modern analytical methods is demonstrated. The metrological parameters of methods applied in the analysis of natural environments and biological materials are evaluated. The current state of pollution of natural environments with heavy and toxic metals is characterized in two specific industrial hubs: the towns of Gus-Khrustalny and Podolsk. The levels of pollution of diagnostic biological materials (hair and blood) from children living in various urban districts are studied in the light of specific features of the manufacturing industry in these towns and the life environment of child population. The results of studies focused on evaluating the effect of environment on the health of child population are detailed. The actual damage to child health, their neuropsychic development and behavior, and the effect of socioeconomic factors are determined. Preventive problems among the child population exposed to lead and other toxic metals are evaluated, and ways to solve them are proposed. A system of early diagnosis and preventive measures for the mitigation of adverse effect of toxic metals (Pb, Cu, Mn, Zn, Cr, Ni, As, etc.) on the neuropsychic development of children is developed based on an actual ecogeochemical estimation of the state of the region under study.

ANALYTICAL CHEMISTRY DIVISION ANNUAL PROGRESS REPORT FOR PERIOD ENDING DECEMBER 31, 1961

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

1962-02-01

Research and development progress is reported on analytlcal instrumentation, dlssolver-solution analyses, special research problems, reactor projects analyses, x-ray and spectrochemical analyses, mass spectrometry, optical and electron microscopy, radiochemical analyses, nuclear analyses, inorganic preparations, organic preparations, ionic analyses, infrared spectral studies, anodization of sector coils for the Analog II Cyclotron, quality control, process analyses, and the Thermal Breeder Reactor Projects Analytical Chemistry Laboratory. (M.C.G.)

The US nuclear reaction data network. Summary of the first meeting, March 13 & 14 1996

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1996-03-01

The first meeting of the US Nuclear Reaction Data Network (USNRDN) was held at the Colorado School of Mines, March 13-14, 1996 chaired by F. Edward Cecil. The Agenda of the meeting is attached. The Network, its mission, products and services; related nuclear data and data networks, members, and organization are described in Attachment 1. The following progress reports from the members of the USNRDN were distributed prior to the meeting and are given as Attachment 2. (1) Measurements and Development of Analytic Techniques for Basic Nuclear Physics and Nuclear Applications; (2) Nuclear Reaction Data Activities at the National Nuclearmore » Data Center; (3) Studies of nuclear reactions at very low energies; (4) Nuclear Reaction Data Activities, Nuclear Data Group; (5) Progress in Neutron Physics at Los Alamos - Experiments; (6) Nuclear Reaction Data Activities in Group T2; (7) Progress Report for the US Nuclear Reaction Data Network Meeting; (8) Nuclear Astrophysics Research Group (ORNL); (9) Progress Report from Ohio University; (10) Exciton Model Phenomenology; and (11) Progress Report for Coordination Meeting USNRDN.« less

DETERMINATION OF SPECIFIC NEUTRONIC REACTIVITY

DOEpatents

Dessauer, G.

1960-05-10

A method is given for production-line determination of the specific neutronic reactivity of such objects as individual nuclear fuel or neutron absorber elements and is notable for rapidity and apparatus simplicity. The object is incorporated in a slightly sub-critical chain fission reactive assembly having a discrete neutron source, thereby establishing a K/sub eff/ within the crucial range of 0.95 to 0.995. The range was found to afford, uniquely, flux- transient damped response in a niatter of seconds simultaneously with acceptable analytical sensitivity. The resulting neutron flux measured at a situs spaced from both object and source within the assembly serves as a calibrable indication of said reactivity.

Progress and challenges of nuclear science development in Vietnam - an outlook on the occassion of the 10-th anniversary of the Dalat Nuclear Research Reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hien, P.D.

1994-12-31

Over ten years since the commissioning of the Dalat nuclear research reactor a number of nuclear techniques have been developed and applied in Vietnam Manufacturing of radioisotopes and nuclear instruments, development of isotope tracer and nuclear analytical techniques for environmental studies, exploitation of filtered neutron beams, ... have been major activities of reactor utilizations. Efforts made during ten years of reactor operation have resulted also in establishing and sustaining the applications of nuclear techniques in medicine, industry, agriculture, etc. The successes achieved and lessons teamed over the past ten years are discussed illustrating the approaches taken for developing the nuclearmore » science in the conditions of a country having a very low national income and experiencing a transition from a centrally planned to a market-oriented economic system.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pacold, J. I.; Altman, A. B.; Donald, S B

Materials of interest for nuclear forensic science are often highly heterogeneous, containing complex mixtures of actinide compounds in a wide variety of matrices. Scanning transmission X-ray microscopy (STXM) is ideally suited to study such materials, as it can be used to chemically image specimens by acquiring X-ray absorption near-edge spectroscopy (XANES) data with 25 nm spatial resolution. In particular, STXM in the soft X-ray synchrotron radiation regime (approximately 120 – 2000 eV) can collect spectroscopic information from the actinides and light elements in a single experiment. Thus, STXM combines the chemical sensitivity of X-ray absorption spectroscopy with high spatial resolutionmore » in a single non-destructive characterization method. This report describes the application of STXM to a broad range of nuclear materials. Where possible, the spectroscopic images obtained by STXM are compared with information derived from other analytical methods, and used to make inferences about the process history of each material. STXM measurements can yield information including the morphology of a sample, “elemental maps” showing the spatial distribution of major chemical constituents, and XANES spectra from localized regions of a sample, which may show spatial variations in chemical composition.« less

Application of diffusion ordered-1H-nuclear magnetic resonance spectroscopy to quantify sucrose in beverages.

PubMed

Cao, Ruge; Nonaka, Airi; Komura, Fusae; Matsui, Toshiro

2015-03-15

This work focuses on a quantitative analysis of sucrose using diffusion ordered-quantitative (1)H-nuclear magnetic resonance spectroscopy (DOSY-qNMR), where an analyte can be isolated from interference based on its characteristic diffusion coefficient (D) in gradient magnetic fields. The D value of sucrose in deuterium oxide at 30°C was 4.9 × 10(-10)m(2)/s at field gradient pulse from 5.0 × 10(-2) to 3.0 × 10(-1)T/m, separated from other carbohydrates (glucose and fructose). Good linearity (r(2)=0.9999) was obtained between sucrose (0.5-20.0 g/L) and the resonance area of target glucopyranosyl-α-C1 proton normalised to that of cellobiose C1 proton (100.0 g/L, as an internal standard) in 1D sliced DOSY spectrum. The DOSY-qNMR method was successfully applied to quantify sucrose in orange juice (36.1 ± 0.5 g/L), pineapple juice (53.5 ± 1.1g/L) and a sports drink (24.7 ± 0.6g/L), in good agreement with the results obtained by an F-kit method. Copyright © 2014 Elsevier Ltd. All rights reserved.

First and second energy derivative analyses for open-shell self-consistent field wavefunctions

NASA Astrophysics Data System (ADS)

Yamaguchi, Yukio; Schaefer, Henry F., III; Frenking, Gernot

A study of first and second derivatives of the orbital, electronic, nuclear and total energies for the self-consistent field (SCF) wavefunction has been applied to general open-shell SCF systems. The diagonal elements of the Lagrangian matrix for the general open-shell SCF wavefunction are adapted as the 'oŕbital' energies. The first and second derivatives of the orbital energies in terms of the normal coordinates are determined via the finite difference method, while those of the electronic, nuclear and total energies are obtained by analytical techniques. Using three low lying states of the CH2 and H2CO molecules as examples, it is demonstrated that the derivatives of the SCF energetic quantities with respect to the normal coordinates provide useful chemical information concerning the respective molecular structures and reactivities. The conventional concept of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) has been extended to the molecular vibrational motion, and the terminology of vibrationally active MOs (va-MOs), va-HOMO and va-LUMO has been introduced for each normal coordinate. The energy derivative analysis method may be used as a powerful semi-quantitative modelin understanding and interpreting various chemical phenomena.

Optimizing liquid effluent monitoring at a large nuclear complex.

PubMed

Chou, Charissa J; Barnett, D Brent; Johnson, Vernon G; Olson, Phil M

2003-12-01

Effluent monitoring typically requires a large number of analytes and samples during the initial or startup phase of a facility. Once a baseline is established, the analyte list and sampling frequency may be reduced. Although there is a large body of literature relevant to the initial design, few, if any, published papers exist on updating established effluent monitoring programs. This paper statistically evaluates four years of baseline data to optimize the liquid effluent monitoring efficiency of a centralized waste treatment and disposal facility at a large defense nuclear complex. Specific objectives were to: (1) assess temporal variability in analyte concentrations, (2) determine operational factors contributing to waste stream variability, (3) assess the probability of exceeding permit limits, and (4) streamline the sampling and analysis regime. Results indicated that the probability of exceeding permit limits was one in a million under normal facility operating conditions, sampling frequency could be reduced, and several analytes could be eliminated. Furthermore, indicators such as gross alpha and gross beta measurements could be used in lieu of more expensive specific isotopic analyses (radium, cesium-137, and strontium-90) for routine monitoring. Study results were used by the state regulatory agency to modify monitoring requirements for a new discharge permit, resulting in an annual cost savings of US dollars 223,000. This case study demonstrates that statistical evaluation of effluent contaminant variability coupled with process knowledge can help plant managers and regulators streamline analyte lists and sampling frequencies based on detection history and environmental risk.

Development and Validation of a High-Pressure Liquid Chromatography Method for the Determination of Chemical Purity and Radiochemical Purity of a [68Ga]-Labeled Glu-Urea-Lys(Ahx)-HBED-CC (Positron Emission Tomography) Tracer

PubMed Central

2017-01-01

Background: Prostate-specific membrane antigen (PSMA) has gained high attention as a useful biomarker in the imaging evaluation of prostate cancer with positron emission tomography (PET) during recent years. [68Ga]-labeled Glu-urea-Lys(Ahx)-HBED-CC ([68Ga]-PSMA-HBED-CC) is a novel PSMA inhibitor radiotracer which has demonstrated its suitability in detecting prostate cancer. Preparation conditions may influence the quality and in vivo behavior of this tracer, and no standard procedure for the quality control (QC) is available. The aim of this study was to develop a new rapid and simple high-pressure liquid chromatography method of analysis for the routine QCs of [68Ga]-PSMA-HBED-CC to guarantee the high quality of the radiopharmaceutical product before release. Methods: A stepwise approach was used based on the quality by design concept of the International Conference of Harmonisation Q2 (R1) and Q8 (Pharmaceutical Development) guidelines in accordance with the regulations and requirements of European Association of Nuclear Medicine, Society of Nuclear Medicine, International Atomic Energy Agency, World Health Organization, and Italian Association of Nuclear Medicine and Molecular Imaging. The developed analytical test method was validated because a specific monograph in the pharmacopoeia is not available for [68Ga]-PSMA-HBED-CC. Results: The purity and quality of the radiopharmaceutical obtained according to the proposed method resulted high enough to safely administrate it to patients. An excellent linearity was found between 0.8 and 5 μg/mL, with a detection limit of 0.2 μg/mL. Assay imprecision (% CV) was <2%. Conclusions: The developed method to assess the radiochemical and chemical purity of [68Ga]-PSMA-HBED-CC is rapid, accurate, and reproducible, allowing routinely the use of this PET tracer as a diagnostic tool for imaging prostate cancer and also assuring patient safety. PMID:29520394

Identification and Characterization of Asulam Impurities in Self Made Bulk Batch Synthesis and Quantification by RP-HPLC Method.

PubMed

Mahaboob Basha, D; Venkata Reddy, G; Gopi Krishna, Y; Kumara Swamy, B E; Vijay, Rajani

2018-04-19

The first approach of this research paper explores the simultaneous characterization and determination of theAsulam active ingredient and its associated nine impurities in bulk batch production by the gradient reverse-phase high-performance liquid chromatographic (RP-HPLC) method. The best separation from its potential impurities and reproducible method was achieved by selecting the Cosmosil C-18 (250 × 4.6 mm, 5 μm particle size) analytical column with a run time of 40 min. The pumping chromatographic mobile phase was composed of 0.1% formic acid in milli-Q water (pH ~2.72) and methanol (80 + 20, v/v). An ambient column-oven temperature and UV detection at 260 nm were used. For this broad resolution, a gradient program was employed at a flow rate of 1.20 mL/min. All potential related substances in Asulam bulk manufacturing were ascertained by mass, proton nuclear magnetic resonance, and infrared spectroscopy. The developed HPLC method was validated with respect to linearity (25.64-151.83 mg/L for Asulam and 0.71-16.29, 1.02-12.26, 1.01-20.29, 0.60-10.01, 1.04-16.65, 0.94-22.47, 0.93-16.60, 1.00-12.45, 1.00-12.45, and 0.71-12.17 mg/L for Impurities A to I with a correlation coefficient 0.999 for Asulam and all the impurities), precision (RSD, % for active analyte Asulam and impurities were ˂2%), accuracy (percent recovery for Asulam at two levels ranged from 99.28 to 99.35%, and for Impurities A to I, it was 93.44 to 101.41%), and specificity. Hence, this simple and reliable HPLC method was able to determine the purity of Asulam active analyte and the level of impurities in bulk batch synthesis. By using this quantified procedure, five self-made production batches were analyzed simultaneously.

Nuclear spin noise in the central spin model

NASA Astrophysics Data System (ADS)

Fröhling, Nina; Anders, Frithjof B.; Glazov, Mikhail

2018-05-01

We study theoretically the fluctuations of the nuclear spins in quantum dots employing the central spin model which accounts for the hyperfine interaction of the nuclei with the electron spin. These fluctuations are calculated both with an analytical approach using homogeneous hyperfine couplings (box model) and with a numerical simulation using a distribution of hyperfine coupling constants. The approaches are in good agreement. The box model serves as a benchmark with low computational cost that explains the basic features of the nuclear spin noise well. We also demonstrate that the nuclear spin noise spectra comprise a two-peak structure centered at the nuclear Zeeman frequency in high magnetic fields with the shape of the spectrum controlled by the distribution of the hyperfine constants. This allows for direct access to this distribution function through nuclear spin noise spectroscopy.

Analytical Prediction of the Seismic Response of a Reinforced Concrete Containment Vessel

DOE Office of Scientific and Technical Information (OSTI.GOV)

James, R.J.; Rashid, Y.R.; Cherry, J.L.

Under the sponsorship of the Ministry of International Trade and Industry (MITI) of Japan, the Nuclear Power Engineering Corporation (NUPEC) is investigating the seismic behavior of a Reinforced Concrete Containment Vessel (RCCV) through scale-model testing using the high-performance shaking table at the Tadotsu Engineering Laboratory. A series of tests representing design-level seismic ground motions was initially conducted to gather valuable experimental measurements for use in design verification. Additional tests will be conducted with increasing amplifications of the seismic input until a structural failure of the test model occurs. In a cooperative program with NUPEC, the US Nuclear Regulatory Commission (USNRC),more » through Sandia National Laboratories (SNL), is conducting analytical research on the seismic behavior of RCCV structures. As part of this program, pretest analytical predictions of the model tests are being performed. The dynamic time-history analysis utilizes a highly detailed concrete constitutive model applied to a three-dimensional finite element representation of the test structure. This paper describes the details of the analysis model and provides analysis results.« less

Conventional sample enrichment strategies combined with high-performance liquid chromatography-solid phase extraction-nuclear magnetic resonance analysis allows analyte identification from a single minuscule Corydalis solida plant tuber.

PubMed

Sturm, Sonja; Seger, Christoph; Godejohann, Markus; Spraul, Manfred; Stuppner, Hermann

2007-09-07

Identification of putative biomarker molecules within the genus Corydalis (Papaveraceae) was pursued by combining conventional off-line sample enrichment with high-performance liquid chromatography-solid phase extraction-nuclear magnetic resonance (HPLC-SPE-NMR) based structure elucidation. Off-line reversed phase solid phase extraction (SPE) was used to enrich the desired analytes from a methanolic extract (93 mg dry weight) of a miniscule single tuber (233 mg dry weight) of C. solida. An aliquot of the SPE fraction (2.1 mg) was subjected to separation in the HPLC-SPE-NMR hyphenation. Chromatographic peaks bearing the metabolites under investigation were trapped in the SPE device in a single experiment and transferred to a 600 MHz NMR spectrometer equipped with a 30 microl cryofit insert fed into a 3 mm cryoprobe. Recorded homo- and heteronuclear 1D and 2D NMR data allowed the identification of the three analytes under investigation as protopine, allocryptopine, and N-methyl-laudanidinium acetate. The latter is a rare alkaloid, which has been isolated only once before.

Angelica sinensis in China-A review of botanical profile, ethnopharmacology, phytochemistry and chemical analysis.

PubMed

Wei, Wen-Long; Zeng, Rui; Gu, Cai-Mei; Qu, Yan; Huang, Lin-Fang

2016-08-22

Angelica sinensis (Oliv.) Diels, known as Dang Gui (in Chinese), is a traditional medicinal and edible plant that has long been used for tonifying, replenishing, and invigorating blood as well as relieving pain, lubricating the intestines, and treating female irregular menstruation and amenorrhea. A. sinensis has also been used as a health product and become increasingly popular in China, Japan, and Korea. This paper aims to provide a systemic review of traditional uses of A. sinensis and its recent advances in the fields of phytochemistry, analytical methods and toxicology. In addition, possible trends, therapeutic potentials, and perspectives for future research of this plant are also briefly discussed. An extensive review of the literature was conducted, and electronic databases including China National Knowledge Infrastructure, PubMed, Google Scholar, Science Direct, and Reaxys were used to assemble the data. Ethnopharmacological literature and digitalised sources of academic libraries were also systematically searched. In addition, information was obtained from local books and The Plant List (TPL, www.theplantlist.org). This study reviews the progress in chemical analysis of A. sinensis and its preparations. Previously and newly established methods, including spectroscopy, thin-layer chromatography (TLC), gas chromatography (GC), high-performance liquid chromatography (HPLC), ultra-performance liquid chromatography(UPLC), and nuclear magnetic resonance analysis (NMR), are summarized. Moreover, identified bioactive components such as polysaccharides, ligustilide and ferulic acid were reviewed, along with analytical methods for quantitative and qualitative determination of target analytes, and fingerprinting authentication, quality evaluation of A. sinensis, and toxicology and pharmacodynamic studies. Scientific reports on crude extracts and pure compounds and formulations revealed a wide range of pharmacological activities, including anti-inflammatory activity, antifibrotic action, antispasmodic activity, antioxidant activities, and neuroprotective action, as well as cardio- and cerebrovascular effects. Within the published scientific literature are numerous reports regarding analytical methods that use various chromatographic and spectrophotometric technologies to monitor various types of components with different physicochemical properties simultaneously. This review discusses the reasonable selection of marker compounds based on high concentrations, analytical methods, and commercial availabilities with the goal of developing quick, accurate, and applicable analytical approaches for quality evaluation and establishing harmonised criteria for the analysis of A. sinensis and its finished products. Compounds isolated from A. sinensis are abundant sources of chemical diversity, from which we can discover active molecules. Thus, more studies on the pharmacological mechanisms of the predominant active compounds of A. sinensis are needed. In addition, given that A. sinensis is one of the most popular traditional herbal medicines, its main therapeutic aspects, toxicity, and adverse effects warrant further investigation in the future. Copyright © 2016. Published by Elsevier Ireland Ltd.

Implementation and verification of nuclear interactions in a Monte-Carlo code for the Procom-ProGam proton therapy planning system

NASA Astrophysics Data System (ADS)

Kostyuchenko, V. I.; Makarova, A. S.; Ryazantsev, O. B.; Samarin, S. I.; Uglov, A. S.

2014-06-01

A great breakthrough in proton therapy has happened in the new century: several tens of dedicated centers are now operated throughout the world and their number increases every year. An important component of proton therapy is a treatment planning system. To make calculations faster, these systems usually use analytical methods whose reliability and accuracy do not allow the advantages of this method of treatment to implement to the full extent. Predictions by the Monte Carlo (MC) method are a "gold" standard for the verification of calculations with these systems. At the Institute of Experimental and Theoretical Physics (ITEP) which is one of the eldest proton therapy centers in the world, an MC code is an integral part of their treatment planning system. This code which is called IThMC was developed by scientists from RFNC-VNIITF (Snezhinsk) under ISTC Project 3563.

Modification of chemical reactivity of enzymatic hydrolysis lignin by ultrasound treatment in dilute alkaline solutions.

PubMed

Ma, Zhuoming; Li, Shujun; Fang, Guizhen; Patil, Nikhil; Yan, Ning

2016-12-01

In this study, we have explored various ultrasound treatment conditions for structural modification of enzymatic hydrolysis lignin (EHL) for enhanced chemical reactivity. The key structural modifications were characterized by using a combination of analytical methods, including, Fourier Transform-Infrared spectroscopy (FTIR), Proton Nuclear Magnetic Resonance ( 1 H NMR), Gel permeation chromatography (GPC), X-ray photoelectron spectroscopy (XPS), and Folin-Ciocalteu (F-C) method. Chemical reactivity of the modified EHL samples was determined by both 1,1-diphenyl-2-picrylhydrazyl (DPPH) free radical scavenging activity and their reactivity towards formaldehyde. It was observed that the modified EHL had a higher phenolic hydroxyl group content, a lower molecular weight, a higher reactivity towards formaldehyde, and a greater antioxidant property. The higher reactivity demonstrated by the samples after treatment suggesting that ultrasound is a promising method for modifying enzymatic hydrolysis lignin for value-added applications. Copyright © 2016 Elsevier B.V. All rights reserved.

H CANYON PROCESSING IN CORRELATION WITH FH ANALYTICAL LABS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weinheimer, E.

2012-08-06

Management of radioactive chemical waste can be a complicated business. H Canyon and F/H Analytical Labs are two facilities present at the Savannah River Site in Aiken, SC that are at the forefront. In fact H Canyon is the only large-scale radiochemical processing facility in the United States and this processing is only enhanced by the aid given from F/H Analytical Labs. As H Canyon processes incoming materials, F/H Labs provide support through a variety of chemical analyses. Necessary checks of the chemical makeup, processing, and accountability of the samples taken from H Canyon process tanks are performed at themore » labs along with further checks on waste leaving the canyon after processing. Used nuclear material taken in by the canyon is actually not waste. Only a small portion of the radioactive material itself is actually consumed in nuclear reactors. As a result various radioactive elements such as Uranium, Plutonium and Neptunium are commonly found in waste and may be useful to recover. Specific processing is needed to allow for separation of these products from the waste. This is H Canyon's specialty. Furthermore, H Canyon has the capacity to initiate the process for weapons-grade nuclear material to be converted into nuclear fuel. This is one of the main campaigns being set up for the fall of 2012. Once usable material is separated and purified of impurities such as fission products, it can be converted to an oxide and ultimately turned into commercial fuel. The processing of weapons-grade material for commercial fuel is important in the necessary disposition of plutonium. Another processing campaign to start in the fall in H Canyon involves the reprocessing of used nuclear fuel for disposal in improved containment units. The importance of this campaign involves the proper disposal of nuclear waste in order to ensure the safety and well-being of future generations and the environment. As processing proceeds in the fall, H Canyon will have a substantial number of samples being sent to F/H Labs. All analyses of these samples are imperative to safe and efficient processing. The important campaigns to occur would be impossible without feedback from analyses such as chemical makeup of solutions, concentrations of dissolution acids and nuclear material, as well as nuclear isotopic data. The necessity of analysis for radiochemical processing is evident. Processing devoid of F/H Lab's feedback would go against the ideals of a safety-conscious and highly accomplished processing facility such as H Canyon.« less

Kaon condensation in dense matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carlson, J.; Heiselberg, H.; Pandharipande, V. R.

The kaon energy in neutron matter is calculated analytically with the Klein-Gordon equation, by making a Wigner-Seitz cell approximation and employing a K{sup -}N square well potential. The transition from the low density Lenz potential, proportional to scattering length, to the high density Hartree potential is found to begin at fairly low densities. Exact nonrelativistic calculations of the kaon energy in a simple cubic crystal of neutrons are used to test the Wigner-Seitz and the Ericson-Ericson approximation methods. In this case the frequently used Erickson-Erickson approximation is found to be fairly accurate up to twice nuclear matter density. All themore » calculations indicate that by {approx}4 times nuclear matter density the Hartree limit is reached. We also show that in the Hartree limit the energy of zero momentum kaons does not have relativistic energy dependent factors present in the low density expansions. The results indicate that the density for kaon condensation is higher than previously estimated.« less

Measurement of curium in marine samples

NASA Astrophysics Data System (ADS)

Schneider, D. L.; Livingston, H. D.

1984-06-01

Measurement of environmentally small but detectable amounts of curium requires reliable, accureate, and sensitive analytical methods. The radiochemical separation developed at Woods Hole is briefly reviewed with specific reference to radiochemical interferences in the alpha spectrometric measurement of curium nuclides and to the relative amounts of interferences expected in different oceanic regimes and sample types. Detection limits for 242 Cm and 244 Cm are ultimately limited by their presence in the 243Am used as curium yield monitor. Environmental standard reference materials are evaluated with regard to curium. The marine literature is reviewed and curium measurements are discussed in relation to their source of introduction to the environment. Sources include ocean dumping of low-level radioactive wastes and discharges from nuclear fuel reporcessing activities, In particular, the question of a detectable presence of 244Cm in global fallout from nuclear weapons testing is addressed and shown to be essentially negligible. Analyses of Scottish coastal sedimantes show traces of 242Cm and 244Cm activity which are believed to originate from transport from sources in the Irish Sea.

A new code for modelling the near field diffusion releases from the final disposal of nuclear waste

NASA Astrophysics Data System (ADS)

Vopálka, D.; Vokál, A.

2003-01-01

The canisters with spent nuclear fuel produced during the operation of WWER reactors at the Czech power plants are planned, like in other countries, to be disposed of in an underground repository. Canisters will be surrounded by compacted bentonite that will retard the migration of safety-relevant radionuclides into the host rock. A new code that enables the modelling of the critical radionuclides transport from the canister through the bentonite layer in the cylindrical geometry was developed. The code enables to solve the diffusion equation for various types of initial and boundary conditions by means of the finite difference method and to take into account the non-linear shape of the sorption isotherm. A comparison of the code reported here with code PAGODA, which is based on analytical solution of the transport equation, was made for the actinide chain 4N+3 that includes 239Pu. A simple parametric study of the releases of 239Pu, 129I, and 14C into geosphere is discussed.

Hartree-Fock implementation using a Laguerre-based wave function for the ground state and correlation energies of two-electron atoms.

PubMed

King, Andrew W; Baskerville, Adam L; Cox, Hazel

2018-03-13

An implementation of the Hartree-Fock (HF) method using a Laguerre-based wave function is described and used to accurately study the ground state of two-electron atoms in the fixed nucleus approximation, and by comparison with fully correlated (FC) energies, used to determine accurate electron correlation energies. A variational parameter A is included in the wave function and is shown to rapidly increase the convergence of the energy. The one-electron integrals are solved by series solution and an analytical form is found for the two-electron integrals. This methodology is used to produce accurate wave functions, energies and expectation values for the helium isoelectronic sequence, including at low nuclear charge just prior to electron detachment. Additionally, the critical nuclear charge for binding two electrons within the HF approach is calculated and determined to be Z HF C =1.031 177 528.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).

Structure of Colloidal Quantum Dots from Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy.

PubMed

Piveteau, Laura; Ong, Ta-Chung; Rossini, Aaron J; Emsley, Lyndon; Copéret, Christophe; Kovalenko, Maksym V

2015-11-04

Understanding the chemistry of colloidal quantum dots (QDs) is primarily hampered by the lack of analytical methods to selectively and discriminately probe the QD core, QD surface and capping ligands. Here, we present a general concept for studying a broad range of QDs such as CdSe, CdTe, InP, PbSe, PbTe, CsPbBr3, etc., capped with both organic and inorganic surface capping ligands, through dynamic nuclear polarization (DNP) surface enhanced NMR spectroscopy. DNP can enhance NMR signals by factors of 10-100, thereby reducing the measurement times by 2-4 orders of magnitude. 1D DNP enhanced spectra acquired in this way are shown to clearly distinguish QD surface atoms from those of the QD core, and environmental effects such as oxidation. Furthermore, 2D NMR correlation experiments, which were previously inconceivable for QD surfaces, are demonstrated to be readily performed with DNP and provide the bonding motifs between the QD surfaces and the capping ligands.

Electron-deuteron deep-inelastic scattering with spectator nucleon tagging and final-state interactions at intermediate x

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strikman, Mark; Weiss, Christian

We consider electron-deuteron deep-inelastic scattering (DIS) with detection of a proton in the nuclear fragmentation region ("spectator tagging") as a method for extracting the free neutron structure functions and studying their nuclear modifications. Such measurements could be performed at a future Electron-Ion Collider (EIC) with suitable forward detectors. The measured proton recoil momentum (≲ 100 MeV in the deuteron rest frame) specifies the deuteron configuration during the high-energy process and permits a controlled theoretical treatment of nuclear effects. Nuclear and nucleonic structure are separated using methods of light-front quantum mechanics. The impulse approximation (IA) to the tagged DIS cross sectionmore » contains the free neutron pole, which can be reached by on-shell extrapolation in the recoil momentum. Final-state interactions (FSI) distort the recoil momentum distribution away from the pole. In the intermediate-x region 0.1 < x < 0.5 FSI arise predominantly from interactions of the spectator proton with slow hadrons produced in the DIS process on the neutron (rest frame momenta ≲1 GeV, target fragmentation region). We construct a schematic model describing this effect, using final-state hadron distributions measured in nucleon DIS experiments and low-energy hadron scattering amplitudes. We investigate the magnitude of FSI, their dependence on the recoil momentum (angular dependence, forward/backward regions), their analytic properties, and their effect on the on-shell extrapolation. We comment on the prospects for neutron structure extraction in tagged DIS with EIC. Finally, we discuss possible extensions of the FSI model to other kinematic regions (large/small x). In tagged DIS at x << 0.1 FSI resulting from diffractive scattering on the nucleons become important and require separate treatment.« less

Electron-deuteron deep-inelastic scattering with spectator nucleon tagging and final-state interactions at intermediate x

NASA Astrophysics Data System (ADS)

Strikman, M.; Weiss, C.

2018-03-01

We consider electron-deuteron deep-inelastic scattering (DIS) with detection of a proton in the nuclear fragmentation region ("spectator tagging") as a method for extracting the free neutron structure functions and studying their nuclear modifications. Such measurements could be performed at a future electron-ion collider (EIC) with suitable forward detectors. The measured proton recoil momentum (≲100 MeV in the deuteron rest frame) specifies the deuteron configuration during the high-energy process and permits a controlled theoretical treatment of nuclear effects. Nuclear and nucleonic structure are separated using methods of light-front quantum mechanics. The impulse approximation to the tagged DIS cross section contains the free neutron pole, which can be reached by on-shell extrapolation in the recoil momentum. Final-state interactions (FSIs) distort the recoil momentum distribution away from the pole. In the intermediate-x region 0.1

Electron-deuteron deep-inelastic scattering with spectator nucleon tagging and final-state interactions at intermediate x

DOE PAGES

Strikman, Mark; Weiss, Christian

2018-03-27

We consider electron-deuteron deep-inelastic scattering (DIS) with detection of a proton in the nuclear fragmentation region ("spectator tagging") as a method for extracting the free neutron structure functions and studying their nuclear modifications. Such measurements could be performed at a future Electron-Ion Collider (EIC) with suitable forward detectors. The measured proton recoil momentum (≲ 100 MeV in the deuteron rest frame) specifies the deuteron configuration during the high-energy process and permits a controlled theoretical treatment of nuclear effects. Nuclear and nucleonic structure are separated using methods of light-front quantum mechanics. The impulse approximation (IA) to the tagged DIS cross sectionmore » contains the free neutron pole, which can be reached by on-shell extrapolation in the recoil momentum. Final-state interactions (FSI) distort the recoil momentum distribution away from the pole. In the intermediate-x region 0.1 < x < 0.5 FSI arise predominantly from interactions of the spectator proton with slow hadrons produced in the DIS process on the neutron (rest frame momenta ≲1 GeV, target fragmentation region). We construct a schematic model describing this effect, using final-state hadron distributions measured in nucleon DIS experiments and low-energy hadron scattering amplitudes. We investigate the magnitude of FSI, their dependence on the recoil momentum (angular dependence, forward/backward regions), their analytic properties, and their effect on the on-shell extrapolation. We comment on the prospects for neutron structure extraction in tagged DIS with EIC. Finally, we discuss possible extensions of the FSI model to other kinematic regions (large/small x). In tagged DIS at x << 0.1 FSI resulting from diffractive scattering on the nucleons become important and require separate treatment.« less

Comparison of Measured Dark Current Distributions with Calculated Damage Energy Distributions in HgCdTe

NASA Technical Reports Server (NTRS)

Marshall, C. J.; Marshall, P. W.; Howe, C. L.; Reed, R. A.; Weller, R. A.; Mendenhall, M.; Waczynski, A.; Ladbury, R.; Jordan, T. M.

2007-01-01

This paper presents a combined Monte Carlo and analytic approach to the calculation of the pixel-to-pixel distribution of proton-induced damage in a HgCdTe sensor array and compares the results to measured dark current distributions after damage by 63 MeV protons. The moments of the Coulombic, nuclear elastic and nuclear inelastic damage distributions were extracted from Monte Carlo simulations and combined to form a damage distribution using the analytic techniques first described in [1]. The calculations show that the high energy recoils from the nuclear inelastic reactions (calculated using the Monte Carlo code MCNPX [2]) produce a pronounced skewing of the damage energy distribution. While the nuclear elastic component (also calculated using the MCNPX) contributes only a small fraction of the total nonionizing damage energy, its inclusion in the shape of the damage across the array is significant. The Coulombic contribution was calculated using MRED [3-5], a Geant4 [4,6] application. The comparison with the dark current distribution strongly suggests that mechanisms which are not linearly correlated with nonionizing damage produced according to collision kinematics are responsible for the observed dark current increases. This has important implications for the process of predicting the on-orbit dark current response of the HgCdTe sensor array.

Analytic barrage attack model. Final report, January 1986-January 1989

DOE Office of Scientific and Technical Information (OSTI.GOV)

St Ledger, J.W.; Naegeli, R.E.; Dowden, N.A.

An analytic model is developed for a nuclear barrage attack, assuming weapons with no aiming error and a cookie-cutter damage function. The model is then extended with approximations for the effects of aiming error and distance damage sigma. The final result is a fast running model which calculates probability of damage for a barrage attack. The probability of damage is accurate to within seven percent or better, for weapon reliabilities of 50 to 100 percent, distance damage sigmas of 0.5 or less, and zero to very large circular error probabilities. FORTRAN 77 coding is included in the report for themore » analytic model and for a numerical model used to check the analytic results.« less

Quantitative nuclear magnetic resonance for additives determination in an electrolytic nickel bath.

PubMed

Ostra, Miren; Ubide, Carlos; Vidal, Maider

2011-02-01

The use of proton nuclear magnetic resonance (¹H-NMR) for the quantitation of additives in a commercial electrolytic nickel bath (Supreme Plus Brilliant, Atotech formulation) is reported. A simple and quick method is described that needs only the separation of nickel ions by precipitation with NaOH. The four additives in the bath (A-5(2X), leveler; Supreme Plus Brightener (SPB); SA-1, leveler; NPA, wetting agent; all of them are commercial names from Atotech) can be quantified, whereas no other analytical methods have been found in the literature for SA-1 and NPA. Two calibration methods have been tried: integration of NMR signals with the use of a proper internal standard and partial least squares regression applied to the characteristic NMR peaks. The multivariate method was preferred because of accuracy and precision. Multivariate limits of detection of about 4 mL L⁻¹ A-5(2X), 0.4 mL L⁻¹ SPB, 0.2 mL L⁻¹ SA-1 and 0.6 mL L⁻¹ NPA were found. The dynamic ranges are suitable to follow the concentration of additives in the bath along electrodeposition. ¹H-NMR spectra provide evidence for SPB and SA-1 consumption (A-5(2X) and NPA keep unchanged along the process) and the growth of some products from SA-1 degradation can be followed. The method can, probably, be extended to other electrolytic nickel baths.

Supporting U.S. Response to the Japanese Nuclear Crisis | ORAU

ScienceCinema

Crapo, John; Jakubowski, Ted

2018-05-01

When an earthquake and tsunami hit off the coast of Japan on March 11, 2011, and triggered a nuclear crisis, the U.S. immediately offered support. Among those tapped to assist was ORAU's National Security and Emergency Management team, which provided NNSA with technical and analytical nuclear incident support. Within 48 hours of the earthquake, ORAU emergency management experts accompanied the DOE Office of Emergency Response in deploying to Japan to support the U.S. Air Force Base in Yokota and the U.S. Embassy. A separate team from ORAU supported the NNSA Nuclear Incident Team, which served as the point of coordination for all support activities both in Japan and in the U.S.

SPECTROSCOPIC ONLINE MONITORING FOR PROCESS CONTROL AND SAFEGUARDING OF RADIOCHEMICAL STREAMS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bryan, Samuel A.; Levitskaia, Tatiana G.

2013-09-29

There is a renewed interest worldwide to promote the use of nuclear power and close the nuclear fuel cycle. The long term successful use of nuclear power is critically dependent upon adequate and safe processing and disposition of the used nuclear fuel. Liquid-liquid extraction is a separation technique commonly employed for the processing of the dissolved used nuclear fuel. The instrumentation used to monitor these processes must be robust, require little or no maintenance, and be able to withstand harsh environments such as high radiation fields and aggressive chemical matrices. This paper summarizes application of the absorption and vibrational spectroscopicmore » techniques supplemented by physicochemical measurements for radiochemical process monitoring. In this context, our team experimentally assessed the potential of Raman and spectrophotometric techniques for online real-time monitoring of the U(VI)/nitrate ion/nitric acid and Pu(IV)/Np(V)/Nd(III), respectively, in solutions relevant to spent fuel reprocessing. These techniques demonstrate robust performance in the repetitive batch measurements of each analyte in a wide concentration range using simulant and commercial dissolved spent fuel solutions. Spectroscopic measurements served as training sets for the multivariate data analysis to obtain partial least squares predictive models, which were validated using on-line centrifugal contactor extraction tests. Satisfactory prediction of the analytes concentrations in these preliminary experiments warrants further development of the spectroscopy-based methods for radiochemical process control and safeguarding. Additionally, the ability to identify material intentionally diverted from a liquid-liquid extraction contactor system was successfully tested using on-line process monitoring as a means to detect the amount of material diverted. A chemical diversion and detection from a liquid-liquid extraction scheme was demonstrated using a centrifugal contactor system operating with the simulant PUREX extraction system of Nd(NO3)3/nitric acid aqueous phase and TBP/n-dodecane organic phase. During a continuous extraction experiment, a portion of the feed from a counter-current extraction system was diverted while the spectroscopic on-line process monitoring system was simultaneously measuring the feed, raffinate and organic products streams. The amount observed to be diverted by on-line spectroscopic process monitoring was in excellent agreement with values based from the known mass of sample directly taken (diverted) from system feed solution.« less

Determination of U isotope ratios in sediments using ICP-QMS after sample cleanup with anion-exchange and extraction chromatography.

PubMed

Zheng, Jian; Yamada, Masatoshi

2006-01-15

The determination of uranium is important for environmental radioactivity monitoring, which investigates the releases of uranium from nuclear facilities and of naturally occurring radioactive materials by the coal, oil, natural gas, mineral, ore refining and phosphate fertilizer industries, and it is also important for studies on the biogeochemical behavior of uranium in the environment. In this paper, we describe a quadrupole ICP-MS (ICP-QMS)-based analytical procedure for the accurate determination of U isotope ratios ((235)U/(238)U atom ratio and (234)U/(238)U activity ratio) in sediment samples. A two-stage sample cleanup using anion-exchange and TEVA extraction chromatography was employed in order to obtain accurate and precise (234)U/(238)U activity ratios. The factors that affect the accuracy and precision of U isotope ratio analysis, such as detector dead time, abundance sensitivity, dwell time and mass bias were carefully evaluated and corrected. With natural U, a precision lower than 0.5% R.S.D. for (235)U/(238)U atom ratio and lower than 2.0% R.S.D. for (234)U/(238)U activity ratio was obtained with less than 90 ng uranium. The developed analytical method was validated using an ocean sediment reference material and applied to an investigation into the uranium isotopic compositions in a sediment core in a brackish lake in the vicinity of U-related nuclear facilities in Japan.

Fluorescent nuclear track detectors for alpha radiation microdosimetry.

PubMed

Kouwenberg, J J M; Wolterbeek, H T; Denkova, A G; Bos, A J J

2018-06-07

While alpha microdosimetry dates back a couple of decades, the effects of localized energy deposition of alpha particles are often still unclear since few comparative studies have been performed. Most modern alpha microdosimetry studies rely for large parts on simulations, which negatively impacts both the simplicity of the calculations and the reliability of the results. A novel microdosimetry method based on the Fluorescent Nuclear Track Detector, a versatile tool that can measure individual alpha particles at sub-micron resolution, yielding accurate energy, fluence and dose rate measurements, was introduced to address these issues. Both the detectors and U87 glioblastoma cell cultures were irradiated using an external Am241 alpha source. The alpha particle tracks measured with a Fluorescent Nuclear Track Detector were used together with high resolution 3D cell geometries images to calculate the nucleus dose distribution in the U87 glioblastoma cells. The experimentally obtained microdosimetry parameters were thereafter applied to simulations of 3D U87 cells cultures (spheroids) with various spatial distributions of isotopes to evaluate the effect of the nucleus dose distribution on the expected cell survival. The new experimental method showed good agreement with the analytically derived nucleus dose distributions. Small differences (< 5%) in the relative effectiveness were found for isotopes in the cytoplasm and on the cell membrane versus external irradiation, while isotopes located in the nucleus or on the nuclear membrane showed a substantial increase in relative effectiveness (33 - 51%). The ease-of-use, good accuracy and use of experimentally derived characteristics of the radiation field make this method superior to conventional simulation-based microdosimetry studies. Considering the uncertainties found in alpha radionuclide carriers in-vivo and in-vitro, together with the large contributions from the relative biological effectiveness and the oxygen enhancement ratio, it is expected that only carriers penetrating or surrounding the cell nucleus will substantially benefit from microdosimetry.

Determination of 90Sr / 238U ratio by double isotope dilution inductively coupled plasma mass spectrometer with multiple collection in spent nuclear fuel samples with in situ 90Sr / 90Zr separation in a collision-reaction cell

NASA Astrophysics Data System (ADS)

Isnard, H.; Aubert, M.; Blanchet, P.; Brennetot, R.; Chartier, F.; Geertsen, V.; Manuguerra, F.

2006-02-01

Strontium-90 is one of the most important fission products generated in nuclear industry. In the research field concerning nuclear waste disposal in deep geological environment, it is necessary to quantify accurately and precisely its concentration (or the 90Sr / 238U atomic ratio) in irradiated fuels. To obtain accurate analysis of radioactive 90Sr, mass spectrometry associated with isotope dilution is the most appropriated method. But, in nuclear fuel samples the interference with 90Zr must be previously eliminated. An inductively coupled plasma mass spectrometer with multiple collection, equipped with an hexapole collision cell, has been used to eliminate the 90Sr / 90Zr interference by addition of oxygen in the collision cell as a reactant gas. Zr + ions are converted into ZrO +, whereas Sr + ions are not reactive. A mixed solution, prepared from a solution of enriched 84Sr and a solution of enriched 235U was then used to quantify the 90Sr / 238U ratio in spent fuel sample solutions using the double isotope dilution method. This paper shows the results, the reproducibility and the uncertainties that can be obtained with this method to quantify the 90Sr / 238U atomic ratio in an UOX (uranium oxide) and a MOX (mixed oxide) spent fuel samples using the collision cell of an inductively coupled plasma mass spectrometer with multiple collection to perform the 90Sr / 90Zr separation. A comparison with the results obtained by inductively coupled plasma mass spectrometer with multiple collection after a chemical separation of strontium from zirconium using a Sr spec resin (Eichrom) has been performed. Finally, to validate the analytical procedure developed, measurements of the same samples have been performed by thermal ionization mass spectrometry, used as an independent technique, after chemical separation of Sr.

Response Time Analysis and Test of Protection System Instrument Channels for APR1400 and OPR1000

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Chang Jae; Han, Seung; Yun, Jae Hee

2015-07-01

Safety limits are required to maintain the integrity of physical barriers designed to prevent the uncontrolled release of radioactive materials in nuclear power plants. The safety analysis establishes two critical constraints that include an analytical limit in terms of a measured or calculated variable, and a specific time after the analytical limit is reached to begin protective action. Keeping with the nuclear regulations and industry standards, satisfying these two requirements will ensure that the safety limit will not be exceeded during the design basis event, either an anticipated operational occurrence or a postulated accident. Various studies on the setpoint determinationmore » methodology for the safety-related instrumentation have been actively performed to ensure that the requirement of the analytical limit is satisfied. In particular, the protection setpoint methodology for the advanced power reactor 1400 (APP1400) and the optimized power reactor 1000 (OPR1000) has been recently developed to cover both the design basis event and the beyond design basis event. The developed setpoint methodology has also been quantitatively validated using specific computer programs and setpoint calculations. However, the safety of nuclear power plants cannot be fully guaranteed by satisfying the requirement of the analytical limit. In spite of the response time verification requirements of nuclear regulations and industry standards, it is hard to find the studies on the systematically integrated methodology regarding the response time evaluation. In cases of APR1400 and OPR1000, the response time analysis for the plant protection system is partially included in the setpoint calculation and the response time test is separately performed via the specific plant procedure. The test technique has a drawback which is the difficulty to demonstrate completeness of timing test. The analysis technique has also a demerit of resulting in extreme times that not actually possible. Thus, the establishment of the systematic response time evaluation methodology is needed to justify the conformance to the response time requirement used in the safety analysis. This paper proposes the response time evaluation methodology for APR1400 and OPR1000 using the combined analysis and test technique to confirm that the plant protection system can meet the analytical response time assumed in the safety analysis. In addition, the results of the quantitative evaluation performed for APR1400 and OPR1000 are presented in this paper. The proposed response time analysis technique consists of defining the response time requirement, determining the critical signal path for the trip parameter, allocating individual response time to each component on the signal path, and analyzing the total response time for the trip parameter, and demonstrates that the total analyzed response time does not exceed the response time requirement. The proposed response time test technique is composed of defining the response time requirement, determining the critical signal path for the trip parameter, determining the test method for each component on the signal path, performing the response time test, and demonstrates that the total test result does not exceed the response time requirement. The total response time should be tested in a single test that covers from the sensor to the final actuation device on the instrument channel. When the total channel is not tested in a single test, separate tests on groups of components or single components including the total instrument channel shall be combined to verify the total channel response. For APR1400 and OPR1000, the ramp test technique is used for the pressure and differential pressure transmitters and the step function testing technique is applied to the signal processing equipment and final actuation device. As a result, it can be demonstrated that the response time requirement is satisfied by the combined analysis and test technique. Therefore, the proposed methodology in this paper plays a crucial role in guaranteeing the safety of the nuclear power plants systematically satisfying one of two critical requirements from the safety analysis. (authors)« less

Characterization Of Nuclear Materials Using Time-Of-Flight ICP-MS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buerger, Stefan; Riciputi, Lee R; Bostick, Debra A

2006-01-01

The investigation of illicit trafficking of nuclear materials, nuclear safeguards analysis, and non-proliferation control requires sensitive and isotope-selective detection methods to gain crucial nuclear forensic information like isotope 'fingerprints' and multi-element signatures. The advantage of time-of-flight (TOF) mass spectrometry - quasi-simultaneous multi-mass analysis - combined with an inductively coupled plasma (ICP) ion source provides an analytical instrument with multi-element and multi-isotope capability and good detection limits. A TOF-ICP-MS system thus appears to be an advantageous choice for the investigation and characterization of nuclear materials. We present here results using a GBC OptiMass 8000 time-of-flight ICP-MS for the isotope screening ofmore » solid samples by laser ablation and the multi-element determination of impurities in uranium ore concentrates using matrix matched standards. A laser ablation system (New Wave Research, UP 213) coupled to the TOF-ICP-MS instrument has been used to optimize the system for analysis of non-radioactive metal samples of natural isotopic composition for a variety of elements including Cu, Sr, Zr, Mo, Cd, In, Ba, Ta, W, Re, Pt, and Pb in pure metals, alloys, and glasses to explore precision, accuracy, and detection limits. Similar methods were then applied to measure uranium. When the laser system is optimized, no mass bias correction is required. Precision and accuracy for the determination of the isotopic composition is typically 1 - 3% for elemental concentrations of as little as 50 ppm in the matrix, with no requirement for sample preparation. The laser ablation precision and accuracy are within ~10x of the instrumental limits for liquid analysis (0.1%). We have investigated the capabilities of the TOF-ICP-MS for the analysis of impurities in uranium matrices. Matrix matching has been used to develop calibration curves for a range of impurities (alkaline, earth-alkaline, transition metals, and rare earth elements). These calibration curves have been used to measure impurities in a number of uranium samples. The results from the TOF-ICP-MS will be compared with other mass spectrometric methods.« less

Electromagnetic Radiation in the Atmosphere Generated by Excess Negative Charge in a Nuclear-Electromagnetic Cascade

NASA Astrophysics Data System (ADS)

Malyshevsky, V. S.; Fomin, G. V.

2017-01-01

On the basis of the analytical model "PARMA" (PHITS-based Analytical Radiation Model in the Atmosphere), developed to model particle fluxes of secondary cosmic radiation in the Earth's atmosphere, we have calculated the characteristics of radio waves emitted by excess negative charge in an electromagnetic cascade. The results may be of use in an analysis of experimental data on radio emission of electron-photon showers in the atmosphere.

Radiochemical Processing Laboratory (RPL) at PNNL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peurrung, Tony; Clark, Sue; Bryan, Sam

2017-03-23

Nuclear research is one of the core components of PNNL's mission. The centerpiece of PNNL's nuclear research is the Radiochemical Processing Laboratory (RPL), a Category 2 nuclear facility with state-of-the-art instrumentation, scientific expertise, and specialized capabilities that enable research with significant quantities of fissionable materials and other radionuclides—from tritium to plutonium. High impact radiological research has been conducted in the RPL since the 1950's, when nuclear weapons and energy production at Hanford were at the forefront of national defense. Since then, significant investments have been made in the RPL to maintain it as a premier nuclear science research facility supportingmore » multiple programs. Most recently, PNNL is developing a world-class analytical electron microscopy facility dedicated to the characterization of radiological materials.« less

Nuclear Forensic Inferences Using Iterative Multidimensional Statistics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Robel, M; Kristo, M J; Heller, M A

2009-06-09

Nuclear forensics involves the analysis of interdicted nuclear material for specific material characteristics (referred to as 'signatures') that imply specific geographical locations, production processes, culprit intentions, etc. Predictive signatures rely on expert knowledge of physics, chemistry, and engineering to develop inferences from these material characteristics. Comparative signatures, on the other hand, rely on comparison of the material characteristics of the interdicted sample (the 'questioned sample' in FBI parlance) with those of a set of known samples. In the ideal case, the set of known samples would be a comprehensive nuclear forensics database, a database which does not currently exist. Inmore » fact, our ability to analyze interdicted samples and produce an extensive list of precise materials characteristics far exceeds our ability to interpret the results. Therefore, as we seek to develop the extensive databases necessary for nuclear forensics, we must also develop the methods necessary to produce the necessary inferences from comparison of our analytical results with these large, multidimensional sets of data. In the work reported here, we used a large, multidimensional dataset of results from quality control analyses of uranium ore concentrate (UOC, sometimes called 'yellowcake'). We have found that traditional multidimensional techniques, such as principal components analysis (PCA), are especially useful for understanding such datasets and drawing relevant conclusions. In particular, we have developed an iterative partial least squares-discriminant analysis (PLS-DA) procedure that has proven especially adept at identifying the production location of unknown UOC samples. By removing classes which fell far outside the initial decision boundary, and then rebuilding the PLS-DA model, we have consistently produced better and more definitive attributions than with a single pass classification approach. Performance of the iterative PLS-DA method compared favorably to that of classification and regression tree (CART) and k nearest neighbor (KNN) algorithms, with the best combination of accuracy and robustness, as tested by classifying samples measured independently in our laboratories against the vendor QC based reference set.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heyse, J.; Becker, B.; Kopecky, S.

Neutrons can be used as a tool to study properties of materials and objects. An evolving activity in this field focusses on neutron induced reaction cross sections. The probability that a neutron interacts with nuclei strongly depends on the energy of the neutron. The cross sections reveal the presence of resonance structures, the energy and width of which are isotope specific. As such, these resonance structures can be used as fingerprints to determine the elemental and isotopic composition of materials and objects. They are the basis of two analytical methods which have been developed at Institute for Reference Materials andmore » Measurements of the European Commission's Joint Research Centre (EC-JRC-IRMM): Neutron Resonance Capture Analysis (NRCA) and Neutron Resonance Transmission Analysis (NRTA). The first technique is based on the detection of gamma rays emitted during a neutron capture reaction in the sample being studied; the latter determines the fraction of neutrons transmitted through a sample positioned in a neutron beam. In the past both techniques have been applied to determine the composition of archaeological objects and to characterize nuclear reference materials. More recently a combination of NRTA and NRCA is being studied as a non-destructive method to determine the heavy metal content of particle-like debris of melted fuel that is formed in severe nuclear accidents such as the one which occurred at the Fukushima Daiichi nuclear power plant in Japan. This study is part of a collaboration between the Japan Atomic Energy Agency (JAEA) and ECJRC- IRMM and is a spin-off from the core activity of IRMM, i.e. the production of nuclear data for nuclear technology applications. This contribution focusses on a newly developed NRTA measurement station that has been set up recently at one of the flight paths of the neutron time-of-flight facility GELINA at the EC-JRC-IRMM. The basic principles of NRTA and first results of measurements at the new set up will be discussed. (authors)« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zou, Ling; Zhao, Haihua; Kim, Seung Jun

In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to themore » low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.« less

Dacarbazine.

PubMed

Al-Badr, Abdullah A; Alodhaib, Mansour M

2016-01-01

Dacarbazine is a cell cycle nonspecific antineoplastic alkylating agent used in the treatment of metastatic malignant melanoma. This chapter contains the descriptions of the drug: nomenclature, formulae, chemical structure, elemental composition, and appearance. The uses and applications of dacarbazine and the methods that were used for its preparation are reported. The methods which were used for the physical characterization of the drug are ionization constant, solubility, X-ray powder diffraction pattern, crystal structure, melting point, and differential scanning calorimetry. The profile contains the spectra of the drug: ultraviolet spectrum, vibrational spectrum, nuclear magnetic resonance spectra, and mass spectrum. The compendial methods of analysis for dacarbazine include the United States Pharmacopeia methods, British Pharmacopeia methods, and International Pharmacopeia methods. Other reported methods that are used for the analysis of the drug are high-performance liquid chromatography, high-performance liquid chromatography-mass spectrometry, and polarography. Metabolism, pharmacokinetics, and stability studies on dacarbazine are also included. Reviews of some analytical methods and physicochemical properties of the drug as well as the most important enzymes that are involved in the prodrug activation are provided. Sixty-four references are listed at the end of this monograph. © 2016 Elsevier Inc. All rights reserved.

Analytical quality by design: a tool for regulatory flexibility and robust analytics.

PubMed

Peraman, Ramalingam; Bhadraya, Kalva; Padmanabha Reddy, Yiragamreddy

2015-01-01

Very recently, Food and Drug Administration (FDA) has approved a few new drug applications (NDA) with regulatory flexibility for quality by design (QbD) based analytical approach. The concept of QbD applied to analytical method development is known now as AQbD (analytical quality by design). It allows the analytical method for movement within method operable design region (MODR). Unlike current methods, analytical method developed using analytical quality by design (AQbD) approach reduces the number of out-of-trend (OOT) results and out-of-specification (OOS) results due to the robustness of the method within the region. It is a current trend among pharmaceutical industry to implement analytical quality by design (AQbD) in method development process as a part of risk management, pharmaceutical development, and pharmaceutical quality system (ICH Q10). Owing to the lack explanatory reviews, this paper has been communicated to discuss different views of analytical scientists about implementation of AQbD in pharmaceutical quality system and also to correlate with product quality by design and pharmaceutical analytical technology (PAT).

Analytical Quality by Design: A Tool for Regulatory Flexibility and Robust Analytics

PubMed Central

Bhadraya, Kalva; Padmanabha Reddy, Yiragamreddy

2015-01-01

Very recently, Food and Drug Administration (FDA) has approved a few new drug applications (NDA) with regulatory flexibility for quality by design (QbD) based analytical approach. The concept of QbD applied to analytical method development is known now as AQbD (analytical quality by design). It allows the analytical method for movement within method operable design region (MODR). Unlike current methods, analytical method developed using analytical quality by design (AQbD) approach reduces the number of out-of-trend (OOT) results and out-of-specification (OOS) results due to the robustness of the method within the region. It is a current trend among pharmaceutical industry to implement analytical quality by design (AQbD) in method development process as a part of risk management, pharmaceutical development, and pharmaceutical quality system (ICH Q10). Owing to the lack explanatory reviews, this paper has been communicated to discuss different views of analytical scientists about implementation of AQbD in pharmaceutical quality system and also to correlate with product quality by design and pharmaceutical analytical technology (PAT). PMID:25722723

Role of nuclear charge change and nuclear recoil on shaking processes and their possible implication on physical processes

NASA Astrophysics Data System (ADS)

Sharma, Prashant

2017-12-01

The probable role of the sudden nuclear charge change and nuclear recoil in the shaking processes during the neutron- or heavy-ion-induced nuclear reactions and weakly interacting massive particle-nucleus scattering has been investigated in the present work. Using hydrogenic wavefunctions, general analytical expressions of survival, shakeup/shakedown, and shakeoff probability have been derived for various subshells of hydrogen-like atomic systems. These expressions are employed to calculate the shaking, shakeup/shakedown, and shakeoff probabilities in some important cases of interest in the nuclear astrophysics and the dark matter search experiments. The results underline that the shaking processes are one of the probable channels of electronic transitions during the weakly interacting massive particle-nucleus scattering, which can be used to probe the dark matter in the sub-GeV regime. Further, it is found that the shaking processes initiating due to nuclear charge change and nuclear recoil during the nuclear reactions may influence the electronic configuration of the participating atomic systems and thus may affect the nuclear reaction measurements at astrophysically relevant energies.

Review of the Tri-Agency Space Nuclear Reactor Power System Technology Program

NASA Technical Reports Server (NTRS)

Ambrus, J. H.; Wright, W. E.; Bunch, D. F.

1984-01-01

The Space Nuclear Reactor Power System Technology Program designated SP-100 was created in 1983 by NASA, the U.S. Department of Defense, and the Defense Advanced Research Projects Agency. Attention is presently given to the development history of SP-100 over the course of its first year, in which it has been engaged in program objectives' definition, the analysis of civil and military missions, nuclear power system functional requirements' definition, concept definition studies, the selection of primary concepts for technology feasibility validation, and the acquisition of initial experimental and analytical results.

Study of Analytic Statistical Model for Decay of Light and Medium Mass Nuclei in Nuclear Fragmentation

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Wilson, John W.

1996-01-01

The angular momentum independent statistical decay model is often applied using a Monte-Carlo simulation to describe the decay of prefragment nuclei in heavy ion reactions. This paper presents an analytical approach to the decay problem of nuclei with mass number less than 60, which is important for galactic cosmic ray (GCR) studies. This decay problem of nuclei with mass number less than 60 incorporates well-known levels of the lightest nuclei (A less than 11) to improve convergence and accuracy. A sensitivity study of the model level density function is used to determine the impact on mass and charge distributions in nuclear fragmentation. This angular momentum independent statistical decay model also describes the momentum and energy distribution of emitted particles (n, p, d, t, h, and a) from a prefragment nucleus.

Advances in metabolome information retrieval: turning chemistry into biology. Part I: analytical chemistry of the metabolome.

PubMed

Tebani, Abdellah; Afonso, Carlos; Bekri, Soumeya

2018-05-01

Metabolites are small molecules produced by enzymatic reactions in a given organism. Metabolomics or metabolic phenotyping is a well-established omics aimed at comprehensively assessing metabolites in biological systems. These comprehensive analyses use analytical platforms, mainly nuclear magnetic resonance spectroscopy and mass spectrometry, along with associated separation methods to gather qualitative and quantitative data. Metabolomics holistically evaluates biological systems in an unbiased, data-driven approach that may ultimately support generation of hypotheses. The approach inherently allows the molecular characterization of a biological sample with regard to both internal (genetics) and environmental (exosome, microbiome) influences. Metabolomics workflows are based on whether the investigator knows a priori what kind of metabolites to assess. Thus, a targeted metabolomics approach is defined as a quantitative analysis (absolute concentrations are determined) or a semiquantitative analysis (relative intensities are determined) of a set of metabolites that are possibly linked to common chemical classes or a selected metabolic pathway. An untargeted metabolomics approach is a semiquantitative analysis of the largest possible number of metabolites contained in a biological sample. This is part I of a review intending to give an overview of the state of the art of major metabolic phenotyping technologies. Furthermore, their inherent analytical advantages and limits regarding experimental design, sample handling, standardization and workflow challenges are discussed.

Analytical energy gradient for the two-component normalized elimination of the small component method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zou, Wenli; Filatov, Michael; Cremer, Dieter, E-mail: dcremer@smu.edu

2015-06-07

The analytical gradient for the two-component Normalized Elimination of the Small Component (2c-NESC) method is presented. The 2c-NESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac spin-orbit (SO) splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000)]. The effect of spin-orbit coupling (SOC) on molecular geometries is analyzed utilizing the properties of the frontier orbitals and calculated SO couplings. It is shown thatmore » bond lengths can either be lengthened or shortened under the impact of SOC where in the first case the influence of low lying excited states with occupied antibonding orbitals plays a role and in the second case the jj-coupling between occupied antibonding and unoccupied bonding orbitals dominates. In general, the effect of SOC on bond lengths is relatively small (≤5% of the scalar relativistic changes in the bond length). However, large effects are found for van der Waals complexes Hg{sub 2} and Cn{sub 2}, which are due to the admixture of more bonding character to the highest occupied spinors.« less

Determination of technetium-99 in environmental samples: a review.

PubMed

Shi, Keliang; Hou, Xiaolin; Roos, Per; Wu, Wangsuo

2012-01-04

Due to the lack of a stable technetium isotope, and the high mobility and long half-life, (99)Tc is considered to be one of the most important radionuclides in safety assessment of environmental radioactivity as well as nuclear waste management. (99)Tc is also an important tracer for oceanographic research due to the high technetium solubility in seawater as TcO(4)(-). A number of analytical methods, using chemical separation combined with radiometric and mass spectrometric measurement techniques, have been developed over the past decades for determination of (99)Tc in different environmental samples. This article summarizes and compares recently reported chemical separation procedures and measurement methods for determination of (99)Tc. Due to the extremely low concentration of (99)Tc in environmental samples, the sample preparation, pre-concentration, chemical separation and purification for removal of the interferences for detection of (99)Tc are the most important issues governing the accurate determination of (99)Tc. These aspects are discussed in detail in this article. Meanwhile, the different measurement techniques for (99)Tc are also compared with respect to advantages and drawbacks. Novel automated analytical methods for rapid determination of (99)Tc using solid extraction or ion exchange chromatography for separation of (99)Tc, employing flow injection or sequential injection approaches are also discussed. Copyright © 2011 Elsevier B.V. All rights reserved.

A finite difference Davidson procedure to sidestep full ab initio hessian calculation: Application to characterization of stationary points and transition state searches

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharada, Shaama Mallikarjun; Bell, Alexis T., E-mail: mhg@bastille.cchem.berkeley.edu, E-mail: bell@cchem.berkeley.edu; Head-Gordon, Martin, E-mail: mhg@bastille.cchem.berkeley.edu, E-mail: bell@cchem.berkeley.edu

2014-04-28

The cost of calculating nuclear hessians, either analytically or by finite difference methods, during the course of quantum chemical analyses can be prohibitive for systems containing hundreds of atoms. In many applications, though, only a few eigenvalues and eigenvectors, and not the full hessian, are required. For instance, the lowest one or two eigenvalues of the full hessian are sufficient to characterize a stationary point as a minimum or a transition state (TS), respectively. We describe here a method that can eliminate the need for hessian calculations for both the characterization of stationary points as well as searches for saddlemore » points. A finite differences implementation of the Davidson method that uses only first derivatives of the energy to calculate the lowest eigenvalues and eigenvectors of the hessian is discussed. This method can be implemented in conjunction with geometry optimization methods such as partitioned-rational function optimization (P-RFO) to characterize stationary points on the potential energy surface. With equal ease, it can be combined with interpolation methods that determine TS guess structures, such as the freezing string method, to generate approximate hessian matrices in lieu of full hessians as input to P-RFO for TS optimization. This approach is shown to achieve significant cost savings relative to exact hessian calculation when applied to both stationary point characterization as well as TS optimization. The basic reason is that the present approach scales one power of system size lower since the rate of convergence is approximately independent of the size of the system. Therefore, the finite-difference Davidson method is a viable alternative to full hessian calculation for stationary point characterization and TS search particularly when analytical hessians are not available or require substantial computational effort.« less

A Coordinated Research Project on the Implementation of Nuclear Techniques to Improve Food Traceability

NASA Astrophysics Data System (ADS)

Frew, Russell; Cannavan, Andrew; Zandric, Zora; Maestroni, Britt; Abrahim, Aiman

2013-04-01

Traceability systems play a key role in assuring a safe and reliable food supply. Analytical techniques harnessing the spatial patterns in distribution of stable isotope and trace element ratios can be used for the determination of the provenance of food. Such techniques offer the potential to enhance global trade by providing an independent means of verifying "paper" traceability systems and can also help to prove authenticity, to combat fraudulent practices, and to control adulteration, which are important issues for economic, religious or cultural reasons. To address some of the challenges that developing countries face in attempting to implement effective food traceability systems, the IAEA, through its Joint FAO/IAEA Division on Nuclear Techniques in Food and Agriculture, has initiated a 5-year coordinated research project involving institutes in 15 developing and developed countries (Austria, Botswana, Chile, China, France, India, Lebanon, Morocco, Portugal, Singapore, Sweden, Thailand, Uganda, UK, USA). The objective is to help in member state laboratories to establish robust analytical techniques and databases, validated to international standards, to determine the provenance of food. Nuclear techniques such as stable isotope and multi-element analysis, along with complementary methods, will be applied for the verification of food traceability systems and claims related to food origin, production, and authenticity. This integrated and multidisciplinary approach to strengthening capacity in food traceability will contribute to the effective implementation of holistic systems for food safety and control. The project focuses mainly on the development of techniques to confirm product authenticity, with several research partners also considering food safety issues. Research topics encompass determination of the geographical origin of a variety of commodities, including seed oils, rice, wine, olive oil, wheat, orange juice, fish, groundnuts, tea, pork, honey and coffee, the adulteration of milk with soy protein, chemical contamination of food products, and inhomogeneity in isotopic ratios in poultry and eggs as a means to determine production history. Analytical techniques include stable isotope ratio measurements (2H/1H, 13C/12C, 15N/14N, 18O/16O, 34S/32S, 87Sr/86Sr, 208Pb/207Pb/206Pb), elemental analysis, DNA fingerprinting, fatty acid and other biomolecule profiling, chromatography-mass spectrometry and near infra-red spectroscopy.

Modeling nuclear processes by Simulink

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rashid, Nahrul Khair Alang Md, E-mail: nahrul@iium.edu.my

2015-04-29

Modelling and simulation are essential parts in the study of dynamic systems behaviours. In nuclear engineering, modelling and simulation are important to assess the expected results of an experiment before the actual experiment is conducted or in the design of nuclear facilities. In education, modelling can give insight into the dynamic of systems and processes. Most nuclear processes can be described by ordinary or partial differential equations. Efforts expended to solve the equations using analytical or numerical solutions consume time and distract attention from the objectives of modelling itself. This paper presents the use of Simulink, a MATLAB toolbox softwaremore » that is widely used in control engineering, as a modelling platform for the study of nuclear processes including nuclear reactor behaviours. Starting from the describing equations, Simulink models for heat transfer, radionuclide decay process, delayed neutrons effect, reactor point kinetic equations with delayed neutron groups, and the effect of temperature feedback are used as examples.« less

Nuclear-effects model embedded stochastically in simulation (NEMESIS) summary report. Technical paper

DOE Office of Scientific and Technical Information (OSTI.GOV)

Youngren, M.A.

1989-11-01

An analytic probability model of tactical nuclear warfare in the theater is presented in this paper. The model addresses major problems associated with representing nuclear warfare in the theater. Current theater representations of a potential nuclear battlefield are developed in context of low-resolution, theater-level models or scenarios. These models or scenarios provide insufficient resolution in time and space for modeling a nuclear exchange. The model presented in this paper handles the spatial uncertainty in potentially targeted unit locations by proposing two-dimensional multivariate probability models for the actual and perceived locations of units subordinate to the major (division-level) units represented inmore » theater scenarios. The temporal uncertainty in the activities of interest represented in our theater-level Force Evaluation Model (FORCEM) is handled through probability models of the acquisition and movement of potential nuclear target units.« less

7 CFR 94.303 - Analytical methods.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 7 Agriculture 3 2011-01-01 2011-01-01 false Analytical methods. 94.303 Section 94.303 Agriculture... POULTRY AND EGG PRODUCTS Processed Poultry Products § 94.303 Analytical methods. The analytical methods... latest edition of the Official Methods of Analysis of AOAC INTERNATIONAL, Suite 500, 481 North Frederick...

7 CFR 94.303 - Analytical methods.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 3 2010-01-01 2010-01-01 false Analytical methods. 94.303 Section 94.303 Agriculture... POULTRY AND EGG PRODUCTS Processed Poultry Products § 94.303 Analytical methods. The analytical methods... latest edition of the Official Methods of Analysis of AOAC INTERNATIONAL, Suite 500, 481 North Frederick...

7 CFR 94.303 - Analytical methods.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 7 Agriculture 3 2012-01-01 2012-01-01 false Analytical methods. 94.303 Section 94.303 Agriculture... POULTRY AND EGG PRODUCTS Processed Poultry Products § 94.303 Analytical methods. The analytical methods... latest edition of the Official Methods of Analysis of AOAC INTERNATIONAL, Suite 500, 481 North Frederick...

7 CFR 94.303 - Analytical methods.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 7 Agriculture 3 2013-01-01 2013-01-01 false Analytical methods. 94.303 Section 94.303 Agriculture... POULTRY AND EGG PRODUCTS Processed Poultry Products § 94.303 Analytical methods. The analytical methods... latest edition of the Official Methods of Analysis of AOAC INTERNATIONAL, Suite 500, 481 North Frederick...

7 CFR 94.303 - Analytical methods.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 7 Agriculture 3 2014-01-01 2014-01-01 false Analytical methods. 94.303 Section 94.303 Agriculture... POULTRY AND EGG PRODUCTS Processed Poultry Products § 94.303 Analytical methods. The analytical methods... latest edition of the Official Methods of Analysis of AOAC INTERNATIONAL, Suite 500, 481 North Frederick...

SAM Radiochemical Methods Query

EPA Pesticide Factsheets

Laboratories measuring target radiochemical analytes in environmental samples can use this online query tool to identify analytical methods in EPA's Selected Analytical Methods for Environmental Remediation and Recovery for select radiochemical analytes.

Hanford analytical sample projections FY 1998--FY 2002

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joyce, S.M.

1998-02-12

Analytical Services projections are compiled for the Hanford site based on inputs from the major programs for the years 1998 through 2002. Projections are categorized by radiation level, protocol, sample matrix and program. Analyses requirements are also presented. This document summarizes the Hanford sample projections for fiscal years 1998 to 2002. Sample projections are based on inputs submitted to Analytical Services covering Environmental Restoration, Tank Waste Remediation Systems (TWRS), Solid Waste, Liquid Effluents, Spent Nuclear Fuels, Transition Projects, Site Monitoring, Industrial Hygiene, Analytical Services and miscellaneous Hanford support activities. In addition, details on laboratory scale technology (development) work, Sample Management,more » and Data Management activities are included. This information will be used by Hanford Analytical Services (HAS) and the Sample Management Working Group (SMWG) to assure that laboratories and resources are available and effectively utilized to meet these documented needs.« less

7 CFR 98.4 - Analytical methods.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 7 Agriculture 3 2011-01-01 2011-01-01 false Analytical methods. 98.4 Section 98.4 Agriculture....4 Analytical methods. (a) The majority of analytical methods used by the USDA laboratories to perform analyses of meat, meat food products and MRE's are listed as follows: (1) Official Methods of...

7 CFR 93.4 - Analytical methods.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 7 Agriculture 3 2013-01-01 2013-01-01 false Analytical methods. 93.4 Section 93.4 Agriculture... PROCESSED FRUITS AND VEGETABLES Citrus Juices and Certain Citrus Products § 93.4 Analytical methods. (a) The majority of analytical methods for citrus products are found in the Official Methods of Analysis of AOAC...

7 CFR 98.4 - Analytical methods.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 3 2010-01-01 2010-01-01 false Analytical methods. 98.4 Section 98.4 Agriculture....4 Analytical methods. (a) The majority of analytical methods used by the USDA laboratories to perform analyses of meat, meat food products and MRE's are listed as follows: (1) Official Methods of...

7 CFR 93.4 - Analytical methods.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 7 Agriculture 3 2014-01-01 2014-01-01 false Analytical methods. 93.4 Section 93.4 Agriculture... PROCESSED FRUITS AND VEGETABLES Citrus Juices and Certain Citrus Products § 93.4 Analytical methods. (a) The majority of analytical methods for citrus products are found in the Official Methods of Analysis of AOAC...

7 CFR 93.4 - Analytical methods.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 3 2010-01-01 2010-01-01 false Analytical methods. 93.4 Section 93.4 Agriculture... PROCESSED FRUITS AND VEGETABLES Citrus Juices and Certain Citrus Products § 93.4 Analytical methods. (a) The majority of analytical methods for citrus products are found in the Official Methods of Analysis of AOAC...

7 CFR 98.4 - Analytical methods.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 7 Agriculture 3 2012-01-01 2012-01-01 false Analytical methods. 98.4 Section 98.4 Agriculture....4 Analytical methods. (a) The majority of analytical methods used by the USDA laboratories to perform analyses of meat, meat food products and MRE's are listed as follows: (1) Official Methods of...

7 CFR 98.4 - Analytical methods.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 7 Agriculture 3 2013-01-01 2013-01-01 false Analytical methods. 98.4 Section 98.4 Agriculture....4 Analytical methods. (a) The majority of analytical methods used by the USDA laboratories to perform analyses of meat, meat food products and MRE's are listed as follows: (1) Official Methods of...

7 CFR 98.4 - Analytical methods.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 7 Agriculture 3 2014-01-01 2014-01-01 false Analytical methods. 98.4 Section 98.4 Agriculture... Analytical methods. (a) The majority of analytical methods used by the USDA laboratories to perform analyses of meat, meat food products and MREs are listed as follows: (1) Official Methods of Analysis of AOAC...

7 CFR 93.4 - Analytical methods.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 7 Agriculture 3 2011-01-01 2011-01-01 false Analytical methods. 93.4 Section 93.4 Agriculture... PROCESSED FRUITS AND VEGETABLES Citrus Juices and Certain Citrus Products § 93.4 Analytical methods. (a) The majority of analytical methods for citrus products are found in the Official Methods of Analysis of AOAC...

7 CFR 93.4 - Analytical methods.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 7 Agriculture 3 2012-01-01 2012-01-01 false Analytical methods. 93.4 Section 93.4 Agriculture... PROCESSED FRUITS AND VEGETABLES Citrus Juices and Certain Citrus Products § 93.4 Analytical methods. (a) The majority of analytical methods for citrus products are found in the Official Methods of Analysis of AOAC...

Microfluidic-Based sample chips for radioactive solutions

DOE PAGES

Tripp, J. L.; Law, J. D.; Smith, T. E.; ...

2015-01-01

Historical nuclear fuel cycle process sampling techniques required sample volumes ranging in the tens of milliliters. The radiation levels experienced by analytical personnel and equipment, in addition to the waste volumes generated from analysis of these samples, have been significant. These sample volumes also impacted accountability inventories of required analytes during process operations. To mitigate radiation dose and other issues associated with the historically larger sample volumes, a microcapillary sample chip was chosen for further investigation. The ability to obtain microliter volume samples coupled with a remote automated means of sample loading, tracking, and transporting to the analytical instrument wouldmore » greatly improve analytical efficiency while reducing both personnel exposure and radioactive waste volumes. Sample chip testing was completed to determine the accuracy, repeatability, and issues associated with the use of microfluidic sample chips used to supply µL sample volumes of lanthanide analytes dissolved in nitric acid for introduction to an analytical instrument for elemental analysis.« less

Fluctuation analysis of relativistic nucleus-nucleus collisions in emulsion chambers

NASA Technical Reports Server (NTRS)

Mcguire, Stephen C.

1988-01-01

An analytical technique was developed for identifying enhanced fluctuations in the angular distributions of secondary particles produced from relativistic nucleus-nucleus collisions. The method is applied under the assumption that the masses of the produced particles are small compared to their linear momenta. The importance of particles rests in the fact that enhanced fluctuations in the rapidity distributions is considered to be an experimental signal for the creation of the quark-gluon-plasma (QGP), a state of nuclear matter predicted from the quantum chromodynamics theory (QCD). In the approach, Monte Carlo simulations are employed that make use of a portable random member generator that allow the calculations to be performed on a desk-top computer. The method is illustrated with data taken from high altitude emulsion exposures and is immediately applicable to similar data from accelerator-based emulsion exposures.

Purification of Carbon Nanotubes: Alternative Methods

NASA Technical Reports Server (NTRS)

Files, Bradley; Scott, Carl; Gorelik, Olga; Nikolaev, Pasha; Hulse, Lou; Arepalli, Sivaram

2000-01-01

Traditional carbon nanotube purification process involves nitric acid refluxing and cross flow filtration using surfactant TritonX. This is believed to result in damage to nanotubes and surfactant residue on nanotube surface. Alternative purification procedures involving solvent extraction, thermal zone refining and nitric acid refiuxing are used in the current study. The effect of duration and type of solvent to dissolve impurities including fullerenes and P ACs (polyaromatic compounds) are monitored by nuclear magnetic reasonance, high performance liquid chromatography, and thermogravimetric analysis. Thermal zone refining yielded sample areas rich in nanotubes as seen by scanning electric microscopy. Refluxing in boiling nitric acid seem to improve the nanotube content. Different procedural steps are needed to purify samples produced by laser process compared to arc process. These alternative methods of nanotube purification will be presented along with results from supporting analytical techniques.

An efficient abnormal cervical cell detection system based on multi-instance extreme learning machine

NASA Astrophysics Data System (ADS)

Zhao, Lili; Yin, Jianping; Yuan, Lihuan; Liu, Qiang; Li, Kuan; Qiu, Minghui

2017-07-01

Automatic detection of abnormal cells from cervical smear images is extremely demanded in annual diagnosis of women's cervical cancer. For this medical cell recognition problem, there are three different feature sections, namely cytology morphology, nuclear chromatin pathology and region intensity. The challenges of this problem come from feature combination s and classification accurately and efficiently. Thus, we propose an efficient abnormal cervical cell detection system based on multi-instance extreme learning machine (MI-ELM) to deal with above two questions in one unified framework. MI-ELM is one of the most promising supervised learning classifiers which can deal with several feature sections and realistic classification problems analytically. Experiment results over Herlev dataset demonstrate that the proposed method outperforms three traditional methods for two-class classification in terms of well accuracy and less time.

Social Impact Studies: An Expository Analysis

ERIC Educational Resources Information Center

Shields, Mark A.

1975-01-01

Analyzed are some selected studies on the social impact of resources development and construction projects including dams, highways, nuclear power plants and strip mines. The analytical and methodological problem of assessing differential impacts is stressed. (BT)

Metabolomics and Diabetes: Analytical and Computational Approaches

PubMed Central

Sas, Kelli M.; Karnovsky, Alla; Michailidis, George

2015-01-01

Diabetes is characterized by altered metabolism of key molecules and regulatory pathways. The phenotypic expression of diabetes and associated complications encompasses complex interactions between genetic, environmental, and tissue-specific factors that require an integrated understanding of perturbations in the network of genes, proteins, and metabolites. Metabolomics attempts to systematically identify and quantitate small molecule metabolites from biological systems. The recent rapid development of a variety of analytical platforms based on mass spectrometry and nuclear magnetic resonance have enabled identification of complex metabolic phenotypes. Continued development of bioinformatics and analytical strategies has facilitated the discovery of causal links in understanding the pathophysiology of diabetes and its complications. Here, we summarize the metabolomics workflow, including analytical, statistical, and computational tools, highlight recent applications of metabolomics in diabetes research, and discuss the challenges in the field. PMID:25713200

40 CFR 161.180 - Enforcement analytical method.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 25 2012-07-01 2012-07-01 false Enforcement analytical method. 161.180... DATA REQUIREMENTS FOR REGISTRATION OF ANTIMICROBIAL PESTICIDES Product Chemistry Data Requirements § 161.180 Enforcement analytical method. An analytical method suitable for enforcement purposes must be...

Implementing the correlated fermi gas nuclear model for quasielastic neutrino-nucleus scattering

NASA Astrophysics Data System (ADS)

Tockstein, Jameson

2017-09-01

When studying neutrino oscillations an understanding of charged current quasielastic (CCQE) neutrino-nucleus scattering is imperative. This interaction depends on a nuclear model as well as knowledge of form factors. Neutrino experiments, such as MiniBooNE, often use the Relativistic Fermi Gas (RFG) nuclear model. Recently, the Correlated Fermi Gas (CFG) nuclear model was suggested in, based on inclusive and exclusive scattering experiments at JLab. We implement the CFG model for CCQE scattering. In particular, we provide analytic expressions for this implementation that can be used to analyze current and future neutrino CCQE data. This project was supported through the Wayne State University REU program under NSF Grant PHY-1460853 and by the DOE Grant DE-SC0007983.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

This report was prepared at the request of the Lawrence Livermore Laboratory (LLL) to provide background information for analyzing soil-structure interaction by the frequency-independent impedance function approach. LLL is conducting such analyses as part of its seismic review of selected operating plants under the Systematic Evaluation Program for the US Nuclear Regulatory Commission. The analytical background and basic assumptionsof the impedance function theory are briefly reviewed, and the role of radiation damping in soil-structure interaction analysis is discussed. The validity of modeling soil-structure interaction by using frequency-independent functions is evaluated based on data from several field tests. Finally, the recommendedmore » procedures for performing soil-structure interaction analyses are discussed with emphasis on the modal superposition method.« less

Synthesis and characterisation of PuPO4 - a potential analytical standard for EPMA actinide quantification

NASA Astrophysics Data System (ADS)

Wright, K. E.; Popa, K.; Pöml, P.

2018-01-01

Transmutation nuclear fuels contain weight percentage quantities of actinide elements, including Pu, Am and Np. Because of the complex spectra presented by actinide elements using electron probe microanalysis (EPMA), it is necessary to have relatively pure actinide element standards to facilitate overlap correction and accurate quantitation. Synthesis of actinide oxide standards is complicated by their multiple oxidation states, which can result in inhomogeneous standards or standards that are not stable at atmospheric conditions. Synthesis of PuP4 results in a specimen that exhibits stable oxidation-reduction chemistry and is sufficiently homogenous to serve as an EPMA standard. This approach shows promise as a method for producing viable actinide standards for microanalysis.

TH-E-9A-01: Medical Physics 1.0 to 2.0, Session 4: Computed Tomography, Ultrasound and Nuclear Medicine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samei, E; Nelson, J; Hangiandreou, N

Medical Physics 2.0 is a bold vision for an existential transition of clinical imaging physics in face of the new realities of value-based and evidencebased medicine, comparative effectiveness, and meaningful use. It speaks to how clinical imaging physics can expand beyond traditional insular models of inspection and acceptance testing, oriented toward compliance, towards team-based models of operational engagement, prospective definition and assurance of effective use, and retrospective evaluation of clinical performance. Organized into four sessions of the AAPM, this particular session focuses on three specific modalities as outlined below. CT 2.0: CT has been undergoing a dramatic transition in themore » last few decades. While the changes in the technology merits discussions of their own, an important question is how clinical medical physicists are expected to effectively engage with the new realities of CT technology and practice. Consistent with the upcoming paradigm of Medical Physics 2.0, this CT presentation aims to provide definitions and demonstration of the components of the new clinical medical physics practice pertaining CT. The topics covered include physics metrics and analytics that aim to provide higher order clinicallyrelevant quantification of system performance as pertains to new (and not so new) technologies. That will include the new radiation and dose metrics (SSDE, organ dose, risk indices), image quality metrology (MTF/NPS/d’), task-based phantoms, and the effect of patient size. That will follow with a discussion of the testing implication of new CT hardware (detectors, tubes), acquisition methods (innovative helical geometries, AEC, wide beam CT, dual energy, inverse geometry, application specialties), and image processing and analysis (iterative reconstructions, quantitative CT, advanced renditions). The presentation will conclude with a discussion of clinical and operational aspects of Medical Physics 2.0 including training and communication, use optimization (dose and technique factors), automated analysis and data management (automated QC methods, protocol tracking, dose monitoring, issue tracking), and meaningful QC considerations. US 2.0: Ultrasound imaging is evolving at a rapid pace, adding new imaging functions and modes that continue to enhance its clinical utility and benefits to patients. The ultrasound talk will look ahead 10–15 years and consider how medical physicists can bring maximal value to the clinical ultrasound practices of the future. The roles of physics in accreditation and regulatory compliance, image quality and exam optimization, clinical innovation, and education of staff and trainees will all be considered. A detailed examination of expected technology evolution and impact on image quality metrics will be presented. Clinical implementation of comprehensive physics services will also be discussed. Nuclear Medicine 2.0: Although the basic science of nuclear imaging has remained relatively unchanged since its inception, advances in instrumentation continue to advance the field into new territories. With a great number of these advances occurring over the past decade, the role and testing strategies of clinical nuclear medicine physicists must evolve in parallel. The Nuclear Medicine 2.0 presentation is designed to highlight some of the recent advances from a clinical medical physicist perspective and provide ideas and motivation for designing better evaluation strategies. Topics include improvement of traditional physics metrics and analytics, testing implications of hybrid imaging and advanced detector technologies, and strategies for effective implementation into the clinic. Learning Objectives: Become familiar with new physics metrics and analytics in nuclear medicine, CT, and ultrasound. To become familiar with the major new developments of clinical physics support. To understand the physics testing implications of new technologies, hardware, software, and applications. Identify approaches for implementing comprehensive medical physics services in future imaging practices.« less

40 CFR 158.355 - Enforcement analytical method.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 24 2014-07-01 2014-07-01 false Enforcement analytical method. 158.355... DATA REQUIREMENTS FOR PESTICIDES Product Chemistry § 158.355 Enforcement analytical method. An analytical method suitable for enforcement purposes must be provided for each active ingredient in the...

7 CFR 94.103 - Analytical methods.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 7 Agriculture 3 2014-01-01 2014-01-01 false Analytical methods. 94.103 Section 94.103 Agriculture... POULTRY AND EGG PRODUCTS Voluntary Analyses of Egg Products § 94.103 Analytical methods. The analytical methods used by the Science and Technology Division laboratories to perform voluntary analyses for egg...

7 CFR 94.103 - Analytical methods.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 3 2010-01-01 2010-01-01 false Analytical methods. 94.103 Section 94.103 Agriculture... POULTRY AND EGG PRODUCTS Voluntary Analyses of Egg Products § 94.103 Analytical methods. The analytical methods used by the Science and Technology Division laboratories to perform voluntary analyses for egg...

7 CFR 94.103 - Analytical methods.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 7 Agriculture 3 2011-01-01 2011-01-01 false Analytical methods. 94.103 Section 94.103 Agriculture... POULTRY AND EGG PRODUCTS Voluntary Analyses of Egg Products § 94.103 Analytical methods. The analytical methods used by the Science and Technology Division laboratories to perform voluntary analyses for egg...

7 CFR 94.103 - Analytical methods.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 7 Agriculture 3 2013-01-01 2013-01-01 false Analytical methods. 94.103 Section 94.103 Agriculture... POULTRY AND EGG PRODUCTS Voluntary Analyses of Egg Products § 94.103 Analytical methods. The analytical methods used by the Science and Technology Division laboratories to perform voluntary analyses for egg...

7 CFR 94.103 - Analytical methods.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 7 Agriculture 3 2012-01-01 2012-01-01 false Analytical methods. 94.103 Section 94.103 Agriculture... POULTRY AND EGG PRODUCTS Voluntary Analyses of Egg Products § 94.103 Analytical methods. The analytical methods used by the Science and Technology Division laboratories to perform voluntary analyses for egg...

[Mystery and problems of cloning].

PubMed

Nikitin, V A

2010-01-01

The attention of investigators is attracted to the fact that, in spite of great efforts in mammalian cloning, advances that have been made in this area of research are not great, and cloned animals have developmental pathologies often incompatible with life and/or reproduction ability. It is yet not clear what technical or biological factors underlie this, and how they are connected or interact with each other, which is more realistic strategically. There is a great number of articles dealing with the influence of cloning with the nuclear transfer on genetic and epigenetic reprogramming of donor cells. At the same time we can see the practical absence of analytical investigations concerning the technology of cloning as such, its weak points, and possible sources of cellular trauma in the course of microsurgery of nuclear transfer or twinning. This article discusses step by step several nuclear transfer techniques and the methods of dividing early preimplanted embryos for twinning with the aim to reveal possible sources of cell damage during micromanipulation that may have negative influence on the development of cloned organisms. Several new author's technologies based on the study of cell biophysical characteristics are described, which allow one to avoid cellular trauma during manipulation and minimize the possibility of cell damage at any rate.

Psychology and the prevention of nuclear war

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, R.K.

This book is about our ways of thinking and about how they need to be and can be changed. It is not about the ''unparalleled catastrophe.'' By now many of us know much about that, and unless we an see clear, acceptable, and practical ways to prevent it, our minds recoil from the whole horrible subject. Therefore, the book is about the prevention of nuclear war and nothing else. At least, that is its purpose. Yet its method is primarily descriptive and analytical rather than action-oriented. It explores from different perspectives the possible causes of a world war that couldmore » be at the outset, or become, nuclear, with a special focus on the often-neglected psychological aspects of those causes. It is diagnosis more than prescription. In fact, it might be described as a many-sided effort to understand the nature and roots of the ''madness'' of our present drift toward a great war that each side is urgently-desperately-anxious to avoid. In so doing it draws on some of the insights of psychiatry (from the psychiatrists Robert Jay Lifton, John E. Mack, Jerome D. Frank, and Erich Fromm), as well as on the three disciplines that provide the chief foundation for the book: history, political science, and social psychology.« less

Mineral resource of the month: beryllium

USGS Publications Warehouse

Shedd, Kim B.

2006-01-01

Beryllium metal is lighter than aluminum and stiffer than steel. These and other properties, including its strength, dimensional stability, thermal properties and reflectivity, make it useful for aerospace and defense applications, such as satellite and space-vehicle structural components. Beryllium’s nuclear properties, combined with its low density, make it useful as a neutron reflector and moderator in nuclear reactors. Because it is transparent to most X rays, beryllium is used as X-ray windows in medical, industrial and analytical equipment.

Systematics of strong nuclear amplification of gluon saturation from exclusive vector meson production in high energy electron-nucleus collisions

NASA Astrophysics Data System (ADS)

Mäntysaari, Heikki; Venugopalan, Raju

2018-06-01

We show that gluon saturation gives rise to a strong modification of the scaling in both the nuclear mass number A and the virtuality Q2 of the vector meson production cross-section in exclusive deep-inelastic scattering off nuclei. We present qualitative analytic expressions for how the scaling exponents are modified as well as quantitative predictions that can be tested at an Electron-Ion Collider.

Single-scan 2D NMR: An Emerging Tool in Analytical Spectroscopy

PubMed Central

Giraudeau, Patrick; Frydman, Lucio

2016-01-01

Two-dimensional Nuclear Magnetic Resonance (2D NMR) spectroscopy is widely used in chemical and biochemical analyses. Multidimensional NMR is also witnessing an increased use in quantitative and metabolic screening applications. Conventional 2D NMR experiments, however, are affected by inherently long acquisition durations, arising from their need to sample the frequencies involved along their indirect domains in an incremented, scan-by-scan nature. A decade ago a so-called “ultrafast” (UF) approach was proposed, capable to deliver arbitrary 2D NMR spectra involving any kind of homo- or hetero-nuclear correlations, in a single scan. During the intervening years the performance of this sub-second 2D NMR methodology has been greatly improved, and UF 2D NMR is rapidly becoming a powerful analytical tool witnessing an expanded scope of applications. The present reviews summarizes the principles and the main developments which have contributed to the success of this approach, and focuses on applications which have been recently demonstrated in various areas of analytical chemistry –from the real time monitoring of chemical and biochemical processes, to extensions in hyphenated techniques and in quantitative applications. PMID:25014342

Extended Glauber Model of Antiproton-Nucleus Annihilation for All Energies and Mass Numbers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Teck-Ghee; Wong, Cheuk-Yin

2014-01-01

Previous analytical formulas in the Glauber model for high-energy nucleus-nucleus collisions developed by Wong are utilized and extended to study Antiproton-nucleus annihilations for both high and low energies, after taking into account the effects of Coulomb and nuclear interactions, and the change of the antiproton momentum inside a nucleus. The extended analytical formulas capture the main features of the experimental antiproton-nucleus annihilation cross sections for all energies and mass numbers. At high antiproton energies, they exhibit the granular property for the lightest nuclei and the black-disk limit for the heavy nuclei. At low antiproton energies, they display the effect ofmore » the antiproton momentum increase due to the nuclear interaction for the light nuclei, and the effect of the magnification due to the attractive Coulomb interaction for the heavy nuclei.« less

7 CFR 94.4 - Analytical methods.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 7 Agriculture 3 2014-01-01 2014-01-01 false Analytical methods. 94.4 Section 94.4 Agriculture... POULTRY AND EGG PRODUCTS Mandatory Analyses of Egg Products § 94.4 Analytical methods. The majority of analytical methods used by the USDA laboratories to perform mandatory analyses for egg products are listed as...

40 CFR 136.6 - Method modifications and analytical requirements.

Code of Federal Regulations, 2013 CFR

2013-07-01

... PROGRAMS (CONTINUED) GUIDELINES ESTABLISHING TEST PROCEDURES FOR THE ANALYSIS OF POLLUTANTS § 136.6 Method... person or laboratory using a test procedure (analytical method) in this part. (2) Chemistry of the method means the reagents and reactions used in a test procedure that allow determination of the analyte(s) of...

40 CFR 136.6 - Method modifications and analytical requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

... PROGRAMS (CONTINUED) GUIDELINES ESTABLISHING TEST PROCEDURES FOR THE ANALYSIS OF POLLUTANTS § 136.6 Method... person or laboratory using a test procedure (analytical method) in this Part. (2) Chemistry of the method means the reagents and reactions used in a test procedure that allow determination of the analyte(s) of...

40 CFR 136.6 - Method modifications and analytical requirements.

Code of Federal Regulations, 2012 CFR

2012-07-01

... PROGRAMS (CONTINUED) GUIDELINES ESTABLISHING TEST PROCEDURES FOR THE ANALYSIS OF POLLUTANTS § 136.6 Method... person or laboratory using a test procedure (analytical method) in this part. (2) Chemistry of the method means the reagents and reactions used in a test procedure that allow determination of the analyte(s) of...

40 CFR 136.6 - Method modifications and analytical requirements.

Code of Federal Regulations, 2014 CFR

2014-07-01

... PROGRAMS (CONTINUED) GUIDELINES ESTABLISHING TEST PROCEDURES FOR THE ANALYSIS OF POLLUTANTS § 136.6 Method... person or laboratory using a test procedure (analytical method) in this part. (2) Chemistry of the method means the reagents and reactions used in a test procedure that allow determination of the analyte(s) of...

A simple analytical model for signal amplification by reversible exchange (SABRE) process.

PubMed

Barskiy, Danila A; Pravdivtsev, Andrey N; Ivanov, Konstantin L; Kovtunov, Kirill V; Koptyug, Igor V

2016-01-07

We demonstrate an analytical model for the description of the signal amplification by reversible exchange (SABRE) process. The model relies on a combined analysis of chemical kinetics and the evolution of the nuclear spin system during the hyperpolarization process. The presented model for the first time provides rationale for deciding which system parameters (i.e. J-couplings, relaxation rates, reaction rate constants) have to be optimized in order to achieve higher signal enhancement for a substrate of interest in SABRE experiments.

Considerations regarding the validation of chromatographic mass spectrometric methods for the quantification of endogenous substances in forensics.

PubMed

Hess, Cornelius; Sydow, Konrad; Kueting, Theresa; Kraemer, Michael; Maas, Alexandra

2018-02-01

The requirement for correct evaluation of forensic toxicological results in daily routine work and scientific studies is reliable analytical data based on validated methods. Validation of a method gives the analyst tools to estimate the efficacy and reliability of the analytical method. Without validation, data might be contested in court and lead to unjustified legal consequences for a defendant. Therefore, new analytical methods to be used in forensic toxicology require careful method development and validation of the final method. Until now, there are no publications on the validation of chromatographic mass spectrometric methods for the detection of endogenous substances although endogenous analytes can be important in Forensic Toxicology (alcohol consumption marker, congener alcohols, gamma hydroxy butyric acid, human insulin and C-peptide, creatinine, postmortal clinical parameters). For these analytes, conventional validation instructions cannot be followed completely. In this paper, important practical considerations in analytical method validation for endogenous substances will be discussed which may be used as guidance for scientists wishing to develop and validate analytical methods for analytes produced naturally in the human body. Especially the validation parameters calibration model, analytical limits, accuracy (bias and precision) and matrix effects and recovery have to be approached differently. Highest attention should be paid to selectivity experiments. Copyright © 2017 Elsevier B.V. All rights reserved.

Solubility Limits of Dibutyl Phosphoric Acid in Uranium Solutions at SRS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thompson, M.C.; Pierce, R.A.; Ray, R.J.

1998-06-01

The Savannah River Site has enriched uranium (EU) solution which has been stored for almost 10 years since being purified in the second uranium cycle of the H area solvent extraction process. The concentrations in solution are {tilde 6} g/L U and about 0.1 M nitric acid. Residual tributylphosphate in the solutions has slowly hydrolyzed to form dibutyl phosphoric acid (HDBP) at concentrations averaging 50 mg/L. Uranium is known to form compounds with DBP which have limited solubility. The potential to form uranium-DBP solids raises a nuclear criticality safety issue. SRTC tests have shown that U-DBP solids will precipitate atmore » concentrations potentially attainable during storage of enriched uranium solutions. Evaporation of the existing EUS solution without additional acidification could result in the precipitation of U-DBP solids if DBP concentration in the resulting solution exceeds 110 ppm at ambient temperature. The same potential exists for evaporation of unwashed 1CU solutions. The most important variables of interest for present plant operations are HNO{sub 3} and DBP concentrations. Temperature is also an important variable controlling precipitation. The data obtained in these tests can be used to set operating and safety limits for the plant. It is recommended that the data for 0 degrees C with 0.5 M HNO{sub 3} be used for setting the limits. The limit would be 80 mg/L which is 3 standard deviations below the average of 86 observed in the tests. The data shows that super-saturation can occur when the DBP concentration is as much as 50 percent above the solubility limit. However, super-saturation cannot be relied on for maintaining nuclear criticality safety. The analytical method for determining DBP concentration in U solutions was improved so that analyses for a solution are accurate to within 10 percent. However, the overall uncertainty of results for periodic samples of the existing EUS solutions was only reduced slightly. Thus, sampling appears to be the largest portion of the uncertainty for EUS sample results, although the number of samples analyzed here is low which could contribution to higher uncertainty. The analytical method can be transferred to the plant analytical labs for more routine analysis of samples.« less

Precise U and Pu isotope ratio measurements in nuclear samples by hyphenating capillary electrophoresis and MC-ICPMS.

PubMed

Martelat, Benoit; Isnard, Helene; Vio, Laurent; Dupuis, Erwan; Cornet, Terence; Nonell, Anthony; Chartier, Frederic

2018-06-22

Precise isotopic and elemental characterization of spent nuclear fuel is a major concern for the validation of the neutronic calculation codes and waste management strategy in the nuclear industry. Generally, the elements of interest, particularly U and Pu which are the two major elements present in spent fuel, are purified by ion exchange or extractant resins before off-line measurements by thermal ionization mass spectrometry. The aim of the present work was to develop a new analytical approach based on capillary electrophoresis (CE) hyphenated to a multicollector inductively coupled plasma mass spectrometer (MC-ICPMS) for online isotope ratio measurements. An electrophoretic separation protocol of U, Pu and the fraction containing fission products and minor actinides (Am and Cm) was developed using acetic acid as the electrolyte and complexing agent. The instrumentation for CE was designed to be used in a glove box and a laboratory-built interface was developed for hyphenation with MC-ICPMS. The separation was realized with only a few nL of a solution of spent nuclear fuel and the reproducibilities obtained on the U and Pu isotope ratios were on the order of a few ‰ which is comparable to those obtained by thermal ionization mass spectrometer (TIMS). This innovative protocol allowed a tremendous reduction of the analyte masses from μg to ng and also a drastic reduction of the liquid waste production from mL to μL. In addition, the time of analysis was shorted by at least a factor three. All of these improved parameters are of major interest for nuclear applications.

Nuclear Forensics: A Methodology Applicable to Nuclear Security and to Non-Proliferation

NASA Astrophysics Data System (ADS)

Mayer, K.; Wallenius, M.; Lützenkirchen, K.; Galy, J.; Varga, Z.; Erdmann, N.; Buda, R.; Kratz, J.-V.; Trautmann, N.; Fifield, K.

2011-09-01

Nuclear Security aims at the prevention and detection of and response to, theft, sabotage, unauthorized access, illegal transfer or other malicious acts involving nuclear material. Nuclear Forensics is a key element of nuclear security. Nuclear Forensics is defined as a methodology that aims at re-establishing the history of nuclear material of unknown origin. It is based on indicators that arise from known relationships between material characteristics and process history. Thus, nuclear forensics analysis includes the characterization of the material and correlation with production history. To this end, we can make use of parameters such as the isotopic composition of the nuclear material and accompanying elements, chemical impurities, macroscopic appearance and microstructure of the material. In the present paper, we discuss the opportunities for attribution of nuclear material offered by nuclear forensics as well as its limitations. Particular attention will be given to the role of nuclear reactions. Such reactions include the radioactive decay of the nuclear material, but also reactions with neutrons. When uranium (of natural composition) is exposed to neutrons, plutonium is formed, as well as 236U. We will illustrate the methodology using the example of a piece of uranium metal that dates back to the German nuclear program in the 1940's. A combination of different analytical techniques and model calculations enables a nuclear forensics interpretation, thus correlating the material characteristics with the production history.

The energy loss and nuclear absorption effects in semi-inclusive deep inelastic scattering on nucleus

NASA Astrophysics Data System (ADS)

Song, Li-Hua; Xin, Shang-Fei; Liu, Na

2018-02-01

Semi-inclusive deep inelastic lepton-nucleus scattering provides a good opportunity to investigate the cold nuclear effects on quark propagation and hadronization. Considering the nuclear modification of the quark energy loss and nuclear absorption effects in final state, the leading-order computations on hadron multiplicity ratios for both hadronization occurring outside and inside the medium are performed with the nuclear geometry effect of the path length L of the struck quark in the medium. By fitting the HERMES two-dimensional data on the multiplicity ratios for positively and negatively charged pions and kaons produced on neon, the hadron-nucleon inelastic cross section {σ }h for different identified hadrons is determined, respectively. It is found that our predictions obtained with the analytic parameterizations of quenching weights based on BDMPS formalism and the nuclear absorption factor {N}A(z,ν ) are in good agreement with the experimental measurements. This indicates that the energy loss and nuclear absorption are the main nuclear effects inducing a reduction of the hadron yield for quark hadronization occurring outside and inside the nucleus, respectively.

Molecular imaging of cannabis leaf tissue with MeV-SIMS method

NASA Astrophysics Data System (ADS)

Jenčič, Boštjan; Jeromel, Luka; Ogrinc Potočnik, Nina; Vogel-Mikuš, Katarina; Kovačec, Eva; Regvar, Marjana; Siketić, Zdravko; Vavpetič, Primož; Rupnik, Zdravko; Bučar, Klemen; Kelemen, Mitja; Kovač, Janez; Pelicon, Primož

2016-03-01

To broaden our analytical capabilities with molecular imaging in addition to the existing elemental imaging with micro-PIXE, a linear Time-Of-Flight mass spectrometer for MeV Secondary Ion Mass Spectrometry (MeV-SIMS) was constructed and added to the existing nuclear microprobe at the Jožef Stefan Institute. We measured absolute molecular yields and damage cross-section of reference materials, without significant alteration of the fragile biological samples during the duration of measurements in the mapping mode. We explored the analytical capability of the MeV-SIMS technique for chemical mapping of the plant tissue of medicinal cannabis leaves. A series of hand-cut plant tissue slices were prepared by standard shock-freezing and freeze-drying protocol and deposited on the Si wafer. We show the measured MeV-SIMS spectra showing a series of peaks in the mass area of cannabinoids, as well as their corresponding maps. The indicated molecular distributions at masses of 345.5 u and 359.4 u may be attributed to the protonated THCA and THCA-C4 acids, and show enhancement in the areas with opened trichome morphology.

Chemical analysis of bleach and hydroxide-based solutions after decontamination of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX).

PubMed

Hopkins, F B; Gravett, M R; Self, A J; Wang, M; Chua, Hoe-Chee; Hoe-Chee, C; Lee, H S Nancy; Sim, N Lee Hoi; Jones, J T A; Timperley, C M; Riches, J R

2014-08-01

Detailed chemical analysis of solutions used to decontaminate chemical warfare agents can be used to support verification and forensic attribution. Decontamination solutions are amongst the most difficult matrices for chemical analysis because of their corrosive and potentially emulsion-based nature. Consequently, there are relatively few publications that report their detailed chemical analysis. This paper describes the application of modern analytical techniques to the analysis of decontamination solutions following decontamination of the chemical warfare agent O-ethyl S-2-diisopropylaminoethyl methylphosphonothiolate (VX). We confirm the formation of N,N-diisopropylformamide and N,N-diisopropylamine following decontamination of VX with hypochlorite-based solution, whereas they were not detected in extracts of hydroxide-based decontamination solutions by nuclear magnetic resonance (NMR) spectroscopy or gas chromatography-mass spectrometry. We report the electron ionisation and chemical ionisation mass spectroscopic details, retention indices, and NMR spectra of N,N-diisopropylformamide and N,N-diisopropylamine, as well as analytical methods suitable for their analysis and identification in solvent extracts and decontamination residues.

Evaluating Trends in Historical PM2.5 Element Concentrations by Reanalyzing a 15-Year Sample Archive

NASA Astrophysics Data System (ADS)

Hyslop, N. P.; White, W. H.; Trzepla, K.

2014-12-01

The IMPROVE (Interagency Monitoring of PROtected Visual Environments) network monitors aerosol concentrations at 170 remote sites throughout the United States. Twenty-four-hour filter samples of particulate matter are collected every third day and analyzed for chemical composition. About 30 of the sites have operated continuously since 1988, and the sustained data record (http://views.cira.colostate.edu/web/) offers a unique window on regional aerosol trends. All elemental analyses have been performed by Crocker Nuclear Laboratory at the University of California in Davis, and sample filters collected since 1995 are archived on campus. The suite of reported elements has remained constant, but the analytical methods employed for their determination have evolved. For example, the elements Na - Mn were determined by PIXE until November 2001, then by XRF analysis in a He-flushed atmosphere through 2004, and by XRF analysis in vacuum since January 2005. In addition to these fundamental changes, incompletely-documented operational factors such as detector performance and calibration details have introduced variations in the measurements. Because the past analytical methods were non-destructive, the archived filters can be re-analyzed with the current analytical systems and protocols. The 15-year sample archives from Great Smoky Mountains (GRSM), Mount Rainier (MORA), and Point Reyes National Parks (PORE) were selected for reanalysis. The agreement between the new analyses and original determinations varies with element and analytical era. The graph below compares the trend estimates for all the elements measured by IMPROVE based on the original and repeat analyses; the elements identified in color are measured above the detection limit more than 90% of the time. The trend estimates are sensitive to the treatment of non-detect data. The original and reanalysis trends are indistinguishable (have overlapping confidence intervals) for most of the well-detected elements.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moyer, Bruce A.

The North American industry has employed major solvent-extraction processes to support a wide range of separations including but not limited to chemical, metallurgical, nuclear, biochemical, pharmaceutical, and petroleum applications. The knowledge enabling these separations has been obtained through fundamental studies in academe, government and industry. The International Solvent Extraction Conferences have been and continue to be a major gathering of scientists, engineers, operators, and vendors from around the world, who present new findings since the last meeting, exchange ideas, make business contacts, and conduct collegial discussions. The ISEC 2008 program emphasizes fundamentals to industrial applications of solvent extraction, particularly howmore » this broad spectrum of activities is interconnected and has led to the implementation of novel processes. The oral and poster sessions have been organized into seven topics: Fundamentals; Novel Reagents, Materials and Techniques; Nuclear Fuel Reprocessing; Hydrometallurgy and Metals Extraction; Analytical and Preparative Applications; Biotechnology, Pharmaceuticals, Life-Science Products, and Organic Products; and Process Chemistry and Engineering. Over 350 abstracts were received, resulting in more than 260 manuscripts published in these proceedings. Five outstanding plenary presentations have been identified, with five parallel sessions for oral presentations and posters. In recognition of the major role solvent extraction (SX) plays in the hydrometallurgical and nuclear industries, these proceedings begin with sections focusing on hydrometallurgy, process chemistry, and engineering. More fundamental topics follow, including sections on novel reagents, materials, and techniques, featuring novel applications in analytical and biotechnology areas. Despite the diversity of topics and ideas represented, however, the primary focus of the ISEC community continues to be metals extraction. Four papers from these proceedings have been entered already in INIS in the form of individual reports. Among the remaining papers, 60 have been selected from the following sessions: Plenary Lectures, Hydrometallurgy and Metals Extraction, Nuclear Fuel Reprocessing, Analytical and Preparative Applications, Fundamentals, and Novel Reagents, Materials, and Techniques.« less

Nuclear isospin effect on α-decay half-lives

NASA Astrophysics Data System (ADS)

Akrawy, Dashty T.; Hassanabadi, H.; Hosseini, S. S.; Santhosh, K. P.

2018-07-01

The α-decay half-lives for the even-even, even-odd, odd-even and odd-odd of 356 nuclei in the range 52 ≤Zp ≤ 118 have been studied within the analytical formula of Royer and also within the modified analytical formula of Royer. We calculated the new coefficient of the Royer by fitting 356 isotopes. Also, we considered the Denisov and Khudenko formula and obtained the new coefficient for the modified Denisov and Khudenko formula. We calculated the standard deviation and the average deviation. Analytical results are compared with the experimental data. The results are in better agreement with the experimental data when the effect of the isospin considered for the parent nuclei.

Singular value decomposition for photon-processing nuclear imaging systems and applications for reconstruction and computing null functions.

PubMed

Jha, Abhinav K; Barrett, Harrison H; Frey, Eric C; Clarkson, Eric; Caucci, Luca; Kupinski, Matthew A

2015-09-21

Recent advances in technology are enabling a new class of nuclear imaging systems consisting of detectors that use real-time maximum-likelihood (ML) methods to estimate the interaction position, deposited energy, and other attributes of each photon-interaction event and store these attributes in a list format. This class of systems, which we refer to as photon-processing (PP) nuclear imaging systems, can be described by a fundamentally different mathematical imaging operator that allows processing of the continuous-valued photon attributes on a per-photon basis. Unlike conventional photon-counting (PC) systems that bin the data into images, PP systems do not have any binning-related information loss. Mathematically, while PC systems have an infinite-dimensional null space due to dimensionality considerations, PP systems do not necessarily suffer from this issue. Therefore, PP systems have the potential to provide improved performance in comparison to PC systems. To study these advantages, we propose a framework to perform the singular-value decomposition (SVD) of the PP imaging operator. We use this framework to perform the SVD of operators that describe a general two-dimensional (2D) planar linear shift-invariant (LSIV) PP system and a hypothetical continuously rotating 2D single-photon emission computed tomography (SPECT) PP system. We then discuss two applications of the SVD framework. The first application is to decompose the object being imaged by the PP imaging system into measurement and null components. We compare these components to the measurement and null components obtained with PC systems. In the process, we also present a procedure to compute the null functions for a PC system. The second application is designing analytical reconstruction algorithms for PP systems. The proposed analytical approach exploits the fact that PP systems acquire data in a continuous domain to estimate a continuous object function. The approach is parallelizable and implemented for graphics processing units (GPUs). Further, this approach leverages another important advantage of PP systems, namely the possibility to perform photon-by-photon real-time reconstruction. We demonstrate the application of the approach to perform reconstruction in a simulated 2D SPECT system. The results help to validate and demonstrate the utility of the proposed method and show that PP systems can help overcome the aliasing artifacts that are otherwise intrinsically present in PC systems.

Singular value decomposition for photon-processing nuclear imaging systems and applications for reconstruction and computing null functions

NASA Astrophysics Data System (ADS)

Jha, Abhinav K.; Barrett, Harrison H.; Frey, Eric C.; Clarkson, Eric; Caucci, Luca; Kupinski, Matthew A.

2015-09-01

Recent advances in technology are enabling a new class of nuclear imaging systems consisting of detectors that use real-time maximum-likelihood (ML) methods to estimate the interaction position, deposited energy, and other attributes of each photon-interaction event and store these attributes in a list format. This class of systems, which we refer to as photon-processing (PP) nuclear imaging systems, can be described by a fundamentally different mathematical imaging operator that allows processing of the continuous-valued photon attributes on a per-photon basis. Unlike conventional photon-counting (PC) systems that bin the data into images, PP systems do not have any binning-related information loss. Mathematically, while PC systems have an infinite-dimensional null space due to dimensionality considerations, PP systems do not necessarily suffer from this issue. Therefore, PP systems have the potential to provide improved performance in comparison to PC systems. To study these advantages, we propose a framework to perform the singular-value decomposition (SVD) of the PP imaging operator. We use this framework to perform the SVD of operators that describe a general two-dimensional (2D) planar linear shift-invariant (LSIV) PP system and a hypothetical continuously rotating 2D single-photon emission computed tomography (SPECT) PP system. We then discuss two applications of the SVD framework. The first application is to decompose the object being imaged by the PP imaging system into measurement and null components. We compare these components to the measurement and null components obtained with PC systems. In the process, we also present a procedure to compute the null functions for a PC system. The second application is designing analytical reconstruction algorithms for PP systems. The proposed analytical approach exploits the fact that PP systems acquire data in a continuous domain to estimate a continuous object function. The approach is parallelizable and implemented for graphics processing units (GPUs). Further, this approach leverages another important advantage of PP systems, namely the possibility to perform photon-by-photon real-time reconstruction. We demonstrate the application of the approach to perform reconstruction in a simulated 2D SPECT system. The results help to validate and demonstrate the utility of the proposed method and show that PP systems can help overcome the aliasing artifacts that are otherwise intrinsically present in PC systems.

Proposal for the determination of nuclear masses by high-precision spectroscopy of Rydberg states

NASA Astrophysics Data System (ADS)

Wundt, B. J.; Jentschura, U. D.

2010-06-01

The theoretical treatment of Rydberg states in one-electron ions is facilitated by the virtual absence of the nuclear-size correction, and fundamental constants like the Rydberg constant may be in the reach of planned high-precision spectroscopic experiments. The dominant nuclear effect that shifts transition energies among Rydberg states therefore is due to the nuclear mass. As a consequence, spectroscopic measurements of Rydberg transitions can be used in order to precisely deduce nuclear masses. A possible application of this approach to hydrogen and deuterium, and hydrogen-like lithium and carbon is explored in detail. In order to complete the analysis, numerical and analytic calculations of the quantum electrodynamic self-energy remainder function for states with principal quantum number n = 5, ..., 8 and with angular momentum ell = n - 1 and ell = n - 2 are described \\big(j = \\ell \\pm {\\textstyle {\\frac{1}{2}}}\\big).

Numerical study on the Welander oscillatory natural circulation problem using high-order numerical methods

DOE PAGES

Zou, Ling; Zhao, Haihua; Kim, Seung Jun

2016-11-16

In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to themore » low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.« less

Challenges in the quality assurance of elemental and isotopic analyses in the nuclear domain benefitting from high resolution ICP-OES and sector field ICP-MS.

PubMed

Krachler, Michael; Alvarez-Sarandes, Rafael; Van Winckel, Stefaan

Accurate analytical data reinforces fundamentally the meaningfulness of nuclear fuel performance assessments and nuclear waste characterization. Regularly lacking matrix-matched certified reference materials, quality assurance of elemental and isotopic analysis of nuclear materials remains a challenging endeavour. In this context, this review highlights various dedicated experimental approaches envisaged at the European Commission-Joint Research Centre-Institute for Transuranium Elements to overcome this limitation, mainly focussing on the use of high resolution-inductively coupled plasma-optical emission spectrometry (HR-ICP-OES) and sector field-inductively coupled plasma-mass spectrometry (SF-ICP-MS). However, also α- and γ-spectrometry are included here to help characterise extensively the investigated actinide solutions for their actual concentration, potential impurities and isotopic purity.

U.S. Navy Capstone Strategies and Concepts (2001-2010): Strategy, Policy, Concept, and Vision Documents

DTIC Science & Technology

2011-12-01

Naval Analytical Capabilities: Improving Capabilities-Based Planning (2005)  Milan Vego, “Searching for a Strategy,” Armed Forces Journal (Apr... Schultz , Perry, Kissinger, Nunn, “A World Free of Nuclear Weapons,”Wall Street Journal (Jan 2007)  Earlier drafts of this briefing (2005-7) 270 Navy...2007) 316 Context: Other contemporary publications (VII)  Schultz , Perry, Kissinger, Nunn, “A World Free of Nuclear Weapons,”WSJ (Jan 2007) CSBA

Energy Distribution of Electrons in Radiation Induced-Helium Plasmas. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Lo, R. H.

1972-01-01

Energy distribution of high energy electrons as they slow down and thermalize in a gaseous medium is studied. The energy distribution in the entire energy range from source energies down is studied analytically. A helium medium in which primary electrons are created by the passage of heavy-charged particles from nuclear reactions is emphasized. A radiation-induced plasma is of interest in a variety of applications, such as radiation pumped lasers and gaseous core nuclear reactors.

Energy deposition at the bone-tissue interface from nuclear fragments produced by high-energy nucleons

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Hajnal, Ferenc; Wilson, John W.

1990-01-01

The transport of nuclear fragmentation recoils produced by high-energy nucleons in the region of the bone-tissue interface is considered. Results for the different flux and absorbed dose for recoils produced by 1 GeV protons are presented in a bidirectional transport model. The energy deposition in marrow cavities is seen to be enhanced by recoils produced in bone. Approximate analytic formulae for absorbed dose near the interface region are also presented for a simplified range-energy model.

The NMCSSC Quick-Reacting General War Gaming System (QUICK). Analytical Manual. Volume I - Data Base Preparation. Change

DTIC Science & Technology

1972-02-21

is a two-sided strategic nuclear exchange war gaming system. It is designed co assist the military planner in examining various facets of strategic...substantial, the data base preparation process is designed to provide an efficient means of assembling, maintaining, and organizing an input data base to... designed to assist in the study of &’trategic conflicts involving a large-scale Pexchange of nuclear weapons. The system is structured into five

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carla J. Miller

This report provides a summary of the literature review that was performed and based on previous work performed at the Idaho National Laboratory studying the Three Mile Island 2 (TMI-2) nuclear reactor accident, specifically the melted fuel debris. The purpose of the literature review was to document prior published work that supports the feasibility of the analytical techniques that were developed to provide quantitative results of the make-up of the fuel and reactor component debris located inside and outside the containment. The quantitative analysis provides a technique to perform nuclear fuel accountancy measurements

Comparison of NMR simulations of porous media derived from analytical and voxelized representations.

PubMed

Jin, Guodong; Torres-Verdín, Carlos; Toumelin, Emmanuel

2009-10-01

We develop and compare two formulations of the random-walk method, grain-based and voxel-based, to simulate the nuclear-magnetic-resonance (NMR) response of fluids contained in various models of porous media. The grain-based approach uses a spherical grain pack as input, where the solid surface is analytically defined without an approximation. In the voxel-based approach, the input is a computer-tomography or computer-generated image of reconstructed porous media. Implementation of the two approaches is largely the same, except for the representation of porous media. For comparison, both approaches are applied to various analytical and digitized models of porous media: isolated spherical pore, simple cubic packing of spheres, and random packings of monodisperse and polydisperse spheres. We find that spin magnetization decays much faster in the digitized models than in their analytical counterparts. The difference in decay rate relates to the overestimation of surface area due to the discretization of the sample; it cannot be eliminated even if the voxel size decreases. However, once considering the effect of surface-area increase in the simulation of surface relaxation, good quantitative agreement is found between the two approaches. Different grain or pore shapes entail different rates of increase of surface area, whereupon we emphasize that the value of the "surface-area-corrected" coefficient may not be universal. Using an example of X-ray-CT image of Fontainebleau rock sample, we show that voxel size has a significant effect on the calculated surface area and, therefore, on the numerically simulated magnetization response.

Numerical and Experimental Studies on Impact Loaded Concrete Structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saarenheimo, Arja; Hakola, Ilkka; Karna, Tuomo

2006-07-01

An experimental set-up has been constructed for medium scale impact tests. The main objective of this effort is to provide data for the calibration and verification of numerical models of a loading scenario where an aircraft impacts against a nuclear power plant. One goal is to develop and take in use numerical methods for predicting response of reinforced concrete structures to impacts of deformable projectiles that may contain combustible liquid ('fuel'). Loading, structural behaviour, like collapsing mechanism and the damage grade, will be predicted by simple analytical methods and using non-linear FE-method. In the so-called Riera method the behavior ofmore » the missile material is assumed to be rigid plastic or rigid visco-plastic. Using elastic plastic and elastic visco-plastic material models calculations are carried out by ABAQUS/Explicit finite element code, assuming axisymmetric deformation mode for the missile. With both methods, typically, the impact force time history, the velocity of the missile rear end and the missile shortening during the impact were recorded for comparisons. (authors)« less

A kinematic model to estimate the effective dose of radioactive isotopes in the human body for radiological protection

NASA Astrophysics Data System (ADS)

Sasaki, S.; Yamada, T.

2013-12-01

The great earthquake attacked the north-east area in Japan in March 11, 2011. The system of electrical facilities to control Fukushima Daiichi nuclear power station was completely destroyed by the following tsunamis. From the damaged reactor containment vessels, an amount of radioactive substances had leaked and been diffused in the vicinity of this station. Radiological internal exposure becomes a serious social issue both in Japan and all over the world. The present study provides an easily understandable, kinematic-based model to estimate the effective dose of radioactive substances in a human body by simplified the complicated mechanism of metabolism. International Commission on Radiological Protection (ICRP) has developed an exact model, which is well-known as a standard method to calculate the effective dose for radiological protection. However, owing to that the above method accord too much with the actual mechanism of metabolism in human bodies, it becomes rather difficult for non-professional people of radiology to gasp the whole images of the movement and the influences of radioactive substances in a human body. Therefore, in the present paper we propose a newly-derived and easily-understandable model to estimate the effective dose. The present method is very similar with the traditional and conventional hydrological tank model. Ingestion flux of radioactive substances corresponds to rain intensity and the storage of radioactive substances to the water storage in a basin in runoff analysis. The key of this method is to estimate the energy radiated from the radioactive nuclear disintegration of an atom by using classical theory of E. Fermi of beta decay and special relativity for various kinds of radioactive atoms. The parameters used in this study are only physical half-time and biological half-time, and there are no intentional and operational parameters of coefficients to adjust our theoretical runoff to observation of ICRP. Figure.1 compares time series of effective cesium-137 dose according to age calculated by ICRP software with calculated by the present method. Plots are calculated values by ICRP, the solid line is analytic solution given from the present method. It should be noted that the present study does not consider complicated mechanism, but it could give equally accurate results comparing to existing research. Time series of effective Cs-137 dose according to age when food contains 1 Bq/year is ingested for 1 year. (Plots are calculated values by ICRP. The solid line is analytic solution given from the present method)

21 CFR 530.22 - Safe levels and analytical methods for food-producing animals.

Code of Federal Regulations, 2011 CFR

2011-04-01

... analytical method; or (3) Establish a safe level based on other appropriate scientific, technical, or... 21 Food and Drugs 6 2011-04-01 2011-04-01 false Safe levels and analytical methods for food... § 530.22 Safe levels and analytical methods for food-producing animals. (a) FDA may establish a safe...

21 CFR 530.22 - Safe levels and analytical methods for food-producing animals.

Code of Federal Regulations, 2014 CFR

2014-04-01

... analytical method; or (3) Establish a safe level based on other appropriate scientific, technical, or... 21 Food and Drugs 6 2014-04-01 2014-04-01 false Safe levels and analytical methods for food... § 530.22 Safe levels and analytical methods for food-producing animals. (a) FDA may establish a safe...

21 CFR 530.22 - Safe levels and analytical methods for food-producing animals.

Code of Federal Regulations, 2012 CFR

2012-04-01

... analytical method; or (3) Establish a safe level based on other appropriate scientific, technical, or... 21 Food and Drugs 6 2012-04-01 2012-04-01 false Safe levels and analytical methods for food... § 530.22 Safe levels and analytical methods for food-producing animals. (a) FDA may establish a safe...

21 CFR 530.22 - Safe levels and analytical methods for food-producing animals.

Code of Federal Regulations, 2013 CFR

2013-04-01

... analytical method; or (3) Establish a safe level based on other appropriate scientific, technical, or... 21 Food and Drugs 6 2013-04-01 2013-04-01 false Safe levels and analytical methods for food... § 530.22 Safe levels and analytical methods for food-producing animals. (a) FDA may establish a safe...

Calculation of electron and isotopes dose point kernels with fluka Monte Carlo code for dosimetry in nuclear medicine therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Botta, F; Di Dia, A; Pedroli, G

The calculation of patient-specific dose distribution can be achieved by Monte Carlo simulations or by analytical methods. In this study, fluka Monte Carlo code has been considered for use in nuclear medicine dosimetry. Up to now, fluka has mainly been dedicated to other fields, namely high energy physics, radiation protection, and hadrontherapy. When first employing a Monte Carlo code for nuclear medicine dosimetry, its results concerning electron transport at energies typical of nuclear medicine applications need to be verified. This is commonly achieved by means of calculation of a representative parameter and comparison with reference data. Dose point kernel (DPK),more » quantifying the energy deposition all around a point isotropic source, is often the one.Methods: fluka DPKs have been calculated in both water and compact bone for monoenergetic electrons (10–3 MeV) and for beta emitting isotopes commonly used for therapy (89Sr, 90Y, 131I, 153Sm, 177Lu, 186Re, and 188Re). Point isotropic sources have been simulated at the center of a water (bone) sphere, and deposed energy has been tallied in concentric shells. fluka outcomes have been compared to penelope v.2008 results, calculated in this study as well. Moreover, in case of monoenergetic electrons in water, comparison with the data from the literature (etran, geant4, mcnpx) has been done. Maximum percentage differences within 0.8·RCSDA and 0.9·RCSDA for monoenergetic electrons (RCSDA being the continuous slowing down approximation range) and within 0.8·X90 and 0.9·X90 for isotopes (X90 being the radius of the sphere in which 90% of the emitted energy is absorbed) have been computed, together with the average percentage difference within 0.9·RCSDA and 0.9·X90 for electrons and isotopes, respectively.Results: Concerning monoenergetic electrons, within 0.8·RCSDA (where 90%–97% of the particle energy is deposed), fluka and penelope agree mostly within 7%, except for 10 and 20 keV electrons (12% in water, 8.3% in bone). The discrepancies between fluka and the other codes are of the same order of magnitude than those observed when comparing the other codes among them, which can be referred to the different simulation algorithms. When considering the beta spectra, discrepancies notably reduce: within 0.9·X90, fluka and penelope differ for less than 1% in water and less than 2% in bone with any of the isotopes here considered. Complete data of fluka DPKs are given as Supplementary Material as a tool to perform dosimetry by analytical point kernel convolution.Conclusions: fluka provides reliable results when transporting electrons in the low energy range, proving to be an adequate tool for nuclear medicine dosimetry.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vogt, J R

A total of 75 papers were presented on nuclear methods for analysis of environmental and biological samples. Sessions were devoted to software and mathematical methods; nuclear methods in atmospheric and water research; nuclear and atomic methodology; nuclear methods in biology and medicine; and nuclear methods in energy research.

Deriving the exact nonadiabatic quantum propagator in the mapping variable representation.

PubMed

Hele, Timothy J H; Ananth, Nandini

2016-12-22

We derive an exact quantum propagator for nonadiabatic dynamics in multi-state systems using the mapping variable representation, where classical-like Cartesian variables are used to represent both continuous nuclear degrees of freedom and discrete electronic states. The resulting Liouvillian is a Moyal series that, when suitably approximated, can allow for the use of classical dynamics to efficiently model large systems. We demonstrate that different truncations of the exact Liouvillian lead to existing approximate semiclassical and mixed quantum-classical methods and we derive an associated error term for each method. Furthermore, by combining the imaginary-time path-integral representation of the Boltzmann operator with the exact Liouvillian, we obtain an analytic expression for thermal quantum real-time correlation functions. These results provide a rigorous theoretical foundation for the development of accurate and efficient classical-like dynamics to compute observables such as electron transfer reaction rates in complex quantized systems.

Stochastic sampling of quadrature grids for the evaluation of vibrational expectation values

NASA Astrophysics Data System (ADS)

López Ríos, Pablo; Monserrat, Bartomeu; Needs, Richard J.

2018-02-01

The thermal lines method for the evaluation of vibrational expectation values of electronic observables [B. Monserrat, Phys. Rev. B 93, 014302 (2016), 10.1103/PhysRevB.93.014302] was recently proposed as a physically motivated approximation offering balance between the accuracy of direct Monte Carlo integration and the low computational cost of using local quadratic approximations. In this paper we reformulate thermal lines as a stochastic implementation of quadrature-grid integration, analyze the analytical form of its bias, and extend the method to multiple-point quadrature grids applicable to any factorizable harmonic or anharmonic nuclear wave function. The bias incurred by thermal lines is found to depend on the local form of the expectation value, and we demonstrate that the use of finer quadrature grids along selected modes can eliminate this bias, while still offering an ˜30 % lower computational cost than direct Monte Carlo integration in our tests.

From the street to the laboratory: analytical profiles of methoxetamine, 3-methoxyeticyclidine and 3-methoxyphencyclidine and their determination in three biological matrices.

PubMed

De Paoli, Giorgia; Brandt, Simon D; Wallach, Jason; Archer, Roland P; Pounder, Derrick J

2013-06-01

Three psychoactive arylcyclohexylamines, advertised as "research chemicals," were obtained from an online retailer and characterized by gas chromatography ion trap electron and chemical ionization mass spectrometry, nuclear magnetic resonance spectroscopy and diode array detection. The three phencyclidines were identified as 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexanone (methoxetamine), N-ethyl-1-(3-methoxyphenyl)cyclohexanamine and 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine. A qualitative/quantitative method of analysis was developed and validated using liquid chromatography (HPLC) electrospray tandem mass spectrometry and ultraviolet (UV) detection for the determination of these compounds in blood, urine and vitreous humor. HPLC-UV proved to be a robust, accurate and precise method for the qualitative and quantitative analysis of these substances in biological fluids (0.16-5.0 mg/L), whereas the mass spectrometer was useful as a confirmatory tool.

Positron production in heavy-ion collisions. II. Application of the formalism to the case of the U+U collision

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tomoda, T.

1982-07-01

The method developed in the preceding paper is applied to the calculation of the spectra of positrons produced in the U + U collision. Matrix elements of the radial derivative operator between adiabatic basis states are calculated in the monopole approximation, with the finite nuclear size taken into account. These matrix elements are then modified for the supercritical case with the use of the analytical method presented in paper I of this series. The coupled differential equations for the occupation amplitudes of the basis states are solved and the positron spectra are obtained for the U + U collision. Itmore » is shown that the decomposition of the production probability into a spontaneous and an induced part depends on the definition of the resonance state and cannot be given unambiguously. The results are compared with those obtained by Reinhardt et al.« less

Emerging technologies for the non-invasive characterization of physical-mechanical properties of tablets.

PubMed

Dave, Vivek S; Shahin, Hend I; Youngren-Ortiz, Susanne R; Chougule, Mahavir B; Haware, Rahul V

2017-10-30

The density, porosity, breaking force, viscoelastic properties, and the presence or absence of any structural defects or irregularities are important physical-mechanical quality attributes of popular solid dosage forms like tablets. The irregularities associated with these attributes may influence the drug product functionality. Thus, an accurate and efficient characterization of these properties is critical for successful development and manufacturing of a robust tablets. These properties are mainly analyzed and monitored with traditional pharmacopeial and non-pharmacopeial methods. Such methods are associated with several challenges such as lack of spatial resolution, efficiency, or sample-sparing attributes. Recent advances in technology, design, instrumentation, and software have led to the emergence of newer techniques for non-invasive characterization of physical-mechanical properties of tablets. These techniques include near infrared spectroscopy, Raman spectroscopy, X-ray microtomography, nuclear magnetic resonance (NMR) imaging, terahertz pulsed imaging, laser-induced breakdown spectroscopy, and various acoustic- and thermal-based techniques. Such state-of-the-art techniques are currently applied at various stages of development and manufacturing of tablets at industrial scale. Each technique has specific advantages or challenges with respect to operational efficiency and cost, compared to traditional analytical methods. Currently, most of these techniques are used as secondary analytical tools to support the traditional methods in characterizing or monitoring tablet quality attributes. Therefore, further development in the instrumentation and software, and studies on the applications are necessary for their adoption in routine analysis and monitoring of tablet physical-mechanical properties. Copyright © 2017 Elsevier B.V. All rights reserved.

Chemical purity using quantitative 1H-nuclear magnetic resonance: a hierarchical Bayesian approach for traceable calibrations

NASA Astrophysics Data System (ADS)

Toman, Blaza; Nelson, Michael A.; Lippa, Katrice A.

2016-10-01

Chemical purity assessment using quantitative 1H-nuclear magnetic resonance spectroscopy is a method based on ratio references of mass and signal intensity of the analyte species to that of chemical standards of known purity. As such, it is an example of a calculation using a known measurement equation with multiple inputs. Though multiple samples are often analyzed during purity evaluations in order to assess measurement repeatability, the uncertainty evaluation must also account for contributions from inputs to the measurement equation. Furthermore, there may be other uncertainty components inherent in the experimental design, such as independent implementation of multiple calibration standards. As such, the uncertainty evaluation is not purely bottom up (based on the measurement equation) or top down (based on the experimental design), but inherently contains elements of both. This hybrid form of uncertainty analysis is readily implemented with Bayesian statistical analysis. In this article we describe this type of analysis in detail and illustrate it using data from an evaluation of chemical purity and its uncertainty for a folic acid material.

Comparative mass spectrometry & nuclear magnetic resonance metabolomic approaches for nutraceuticals quality control analysis: a brief review.

PubMed

Farag, Mohamed A

2014-01-01

The number of botanical dietary supplements in the market has recently increased primarily due to increased health awareness. Standardization and quality control of the constituents of these plant extracts is an important topic, particularly when such ingredients are used long term as dietary supplements, or in cases where higher doses are marketed as drugs. The development of fast, comprehensive, and effective untargeted analytical methods for plant extracts is of high interest. Nuclear magnetic resonance spectroscopy and mass spectrometry are the most informative tools, each of which enables high-throughput and global analysis of hundreds of metabolites in a single step. Although only one of the two techniques is utilized in the majority of plant metabolomics applications, there is a growing interest in combining the data from both platforms to effectively unravel the complexity of plant samples. The application of combined MS and NMR in the quality control of nutraceuticals forms the major part of this review. Finally I will look at the future developments and perspectives of these two technologies for the quality control of herbal materials.

1,1-dimethylhydrazine as a high purity nitrogen source for MOVPE-water reduction and quantification using nuclear magnetic resonance, gas chromatography-atomic emission detection spectroscopy and cryogenic-mass spectroscopy analytical techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Odedra, R.; Smith, L.M.; Rushworth, S.A.

2000-01-01

Hydrazine derivatives are attractive low temperature nitrogen sources for use in MOVPE due to their low thermal stability. However their purification and subsequent analysis has not previously been investigated in depth for this application. A detailed study on 1,1-dimethylhydrazine {l{underscore}brace}(CH{sub 3}){sub 2}N-NH{sub 2}{r{underscore}brace} purified by eight different methods and the subsequent quantitative measurements of water present in the samples obtained is reported here. A correlation between {sup 1}H nuclear magnetic resonance spectroscopy (NMR), gas chromatography-atomic emission detection (GC-AED) and cryogenic mass spectroscopy (Cryogenic-MS) has been performed. All three analysis techniques can be used to measure water in the samples andmore » with the best purification the water content can be lowered well below 100 ppm. The high purity of this material has been demonstrated by growth results and the state-of-the-art performance of laser diodes.« less

Investigation of 3He-induced reactions on natural Ti for nuclear analytical and radionuclide production purposes

NASA Astrophysics Data System (ADS)

Ditrói, F.; Tárkányi, F.; Ali, M. A.; Andó, L.; Heselius, S.-J.; Shubin, Yu.; Youxiang, Zhuang; Mustafa, M. G.

2000-07-01

Excitation Russian Federation functions of 3He-induced nuclear reactions producing 43,44m,46,47,48Sc, 48V, 48,49,51Cr were measured up to 36 MeV bombarding energy by using the stacked-foil technique on different medium-energy accelerators. The results were compared with the data (cross-section, thick-target yield, activity-distribution functions, …) from the literature, model calculations and other measurements. Earlier measurements at higher energies up to 135 MeV are also plotted to complete the database for 3He-reactions on natural Ti. The new experimental and literature data were compared with the predictions of different model calculations for the 48V producing reactions. The selected experimental data sets were fitted using different methods to obtain recommended values. The measurements and compilation proved, that the 3He induced reactions on natural titanium, especially those leading to 48V and 48Cr are especially useful for monitoring, for activation analysis and for Thin Layer Activation (TLA) purposes. Production of 48V as a radiotracer is also recommended.

Spatial investigation of some uranium minerals using nuclear microprobe

NASA Astrophysics Data System (ADS)

Valter, Anton A.; Knight, Kim B.; Eremenko, Gelij K.; Magilin, Dmitry V.; Ponomarov, Artem A.; Pisansky, Anatoly I.; Romanenko, Alexander V.; Ponomarev, Alexander G.

2018-01-01

In this work, several individual grains of uranium minerals—uraninite with high content of Ca, Ca-rich boltwoodite, growths of uranophane with β-uranophane, and weeksite—from different uranium deposits were studied by a scanning nuclear microprobe. Particle-induced X-ray emission technique provided by the microprobe (µ-PIXE) was carried out to obtain a concentration and 2D distribution of elements in these minerals. In addition, energy dispersive X-ray spectrometry (SEM-EDS) provided by a scanning electron microscope was used. The types of minerals were determined by X-ray diffraction methods. Results of this study improved the understanding of trace elemental composition of the uranium minerals depending on their origin. Obtained signatures could be linked then to the sample provenance. Such data are important for nuclear forensics to identify the ore types and even specific ore bodies, when only small samples may be available for analysis. In this study, the µ-PIXE technique was used for obtaining the 2D distribution of trace elements that are not commonly measured by SEM-EDS at the relevant concentrations. The detected levels and precisions of elements determination by µ-PIXE were also defined. Using µ-PIXE, several micro mineral inclusions such as phosphate with high level of V and Si were identified. The age of the uranium minerals was estimated due to a significant content of radiogenic Pb that provides an additional parameter for determination of the main attributive characteristics of the minerals. This work also showed that due to its high elemental sensitivity the nuclear microprobe can be a new analytical tool for creating a nuclear forensic database from the known uranium deposits and a subsequent analysis of the intercepted illicit materials.

Spatial investigation of some uranium minerals using nuclear microprobe

NASA Astrophysics Data System (ADS)

Valter, Anton A.; Knight, Kim B.; Eremenko, Gelij K.; Magilin, Dmitry V.; Ponomarov, Artem A.; Pisansky, Anatoly I.; Romanenko, Alexander V.; Ponomarev, Alexander G.

2018-06-01

In this work, several individual grains of uranium minerals—uraninite with high content of Ca, Ca-rich boltwoodite, growths of uranophane with β-uranophane, and weeksite—from different uranium deposits were studied by a scanning nuclear microprobe. Particle-induced X-ray emission technique provided by the microprobe (µ-PIXE) was carried out to obtain a concentration and 2D distribution of elements in these minerals. In addition, energy dispersive X-ray spectrometry (SEM-EDS) provided by a scanning electron microscope was used. The types of minerals were determined by X-ray diffraction methods. Results of this study improved the understanding of trace elemental composition of the uranium minerals depending on their origin. Obtained signatures could be linked then to the sample provenance. Such data are important for nuclear forensics to identify the ore types and even specific ore bodies, when only small samples may be available for analysis. In this study, the µ-PIXE technique was used for obtaining the 2D distribution of trace elements that are not commonly measured by SEM-EDS at the relevant concentrations. The detected levels and precisions of elements determination by µ-PIXE were also defined. Using µ-PIXE, several micro mineral inclusions such as phosphate with high level of V and Si were identified. The age of the uranium minerals was estimated due to a significant content of radiogenic Pb that provides an additional parameter for determination of the main attributive characteristics of the minerals. This work also showed that due to its high elemental sensitivity the nuclear microprobe can be a new analytical tool for creating a nuclear forensic database from the known uranium deposits and a subsequent analysis of the intercepted illicit materials.

SAM Methods Query

EPA Pesticide Factsheets

Laboratories measuring target chemical, radiochemical, pathogens, and biotoxin analytes in environmental samples can use this online query tool to identify analytical methods included in EPA's Selected Analytical Methods for Environmental Remediation

Reevaluation of air surveillance station siting

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abbott, K.; Jannik, T.

2016-07-06

DOE Technical Standard HDBK-1216-2015 (DOE 2015) recommends evaluating air-monitoring station placement using the analytical method developed by Waite. The technique utilizes wind rose and population distribution data in order to determine a weighting factor for each directional sector surrounding a nuclear facility. Based on the available resources (number of stations) and a scaling factor, this weighting factor is used to determine the number of stations recommended to be placed in each sector considered. An assessment utilizing this method was performed in 2003 to evaluate the effectiveness of the existing SRS air-monitoring program. The resulting recommended distribution of air-monitoring stations wasmore » then compared to that of the existing site perimeter surveillance program. The assessment demonstrated that the distribution of air-monitoring stations at the time generally agreed with the results obtained using the Waite method; however, at the time new stations were established in Barnwell and in Williston in order to meet requirements of DOE guidance document EH-0173T.« less

Reconstructive correction of aberrations in nuclear particle spectrographs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berz, M.; Joh, K.; Nolen, J.A.

A method is presented that allows the reconstruction of trajectories in particle spectrographs and the reconstructive correction of residual aberrations that otherwise limit the resolution. Using a computed or fitted high order transfer map that describes the uncorrected aberrations of the spectrograph, it is possible to calculate a map via an analytic recursion relation that allows the computation of the corrected data of interest such as reaction energy and scattering angle as well as the reconstructed trajectories in terms of position measurements in two planes near the focal plane. The technique is only limited by the accuracy of the positionmore » measurements, the incoherent spot sizes, and the accuracy of the transfer map. In practice the method can be expressed as an inversion of a nonlinear map and implemented in the differential algebraic framework. The method is applied to correct residual aberrations in the S800 spectrograph which is under construction at the National Superconducting Cyclotron Laboratory at Michigan State University and to two other high resolution spectrographs.« less

METABOLOMICS FOR DEVELOPING MARKERS OF CHEMICAL EXPOSURE AND DISTINGUISHING TOXICITY PATHWAYS

EPA Science Inventory

Metabolomics involves the application of advanced analytical and statistical tools to profile changes in levels of endogenous metabolites in tissues and biofluids resulting from disease onset, stress, or chemical exposure. Nuclear Magnetic Resonance (NMR) spectroscopy-based meta...

Cognitive engineering and health informatics: Applications and intersections.

PubMed

Hettinger, A Zachary; Roth, Emilie M; Bisantz, Ann M

2017-03-01

Cognitive engineering is an applied field with roots in both cognitive science and engineering that has been used to support design of information displays, decision support, human-automation interaction, and training in numerous high risk domains ranging from nuclear power plant control to transportation and defense systems. Cognitive engineering provides a set of structured, analytic methods for data collection and analysis that intersect with and complement methods of Cognitive Informatics. These methods support discovery of aspects of the work that make performance challenging, as well as the knowledge, skills, and strategies that experts use to meet those challenges. Importantly, cognitive engineering methods provide novel representations that highlight the inherent complexities of the work domain and traceable links between the results of cognitive analyses and actionable design requirements. This article provides an overview of relevant cognitive engineering methods, and illustrates how they have been applied to the design of health information technology (HIT) systems. Additionally, although cognitive engineering methods have been applied in the design of user-centered informatics systems, methods drawn from informatics are not typically incorporated into a cognitive engineering analysis. This article presents a discussion regarding ways in which data-rich methods can inform cognitive engineering. Copyright © 2017 Elsevier Inc. All rights reserved.

Review of analytical methods for the quantification of iodine in complex matrices.

PubMed

Shelor, C Phillip; Dasgupta, Purnendu K

2011-09-19

Iodine is an essential element of human nutrition. Nearly a third of the global population has insufficient iodine intake and is at risk of developing Iodine Deficiency Disorders (IDD). Most countries have iodine supplementation and monitoring programs. Urinary iodide (UI) is the biomarker used for epidemiological studies; only a few methods are currently used routinely for analysis. These methods either require expensive instrumentation with qualified personnel (inductively coupled plasma-mass spectrometry, instrumental nuclear activation analysis) or oxidative sample digestion to remove potential interferences prior to analysis by a kinetic colorimetric method originally introduced by Sandell and Kolthoff ~75 years ago. The Sandell-Kolthoff (S-K) method is based on the catalytic effect of iodide on the reaction between Ce(4+) and As(3+). No available technique fully fits the needs of developing countries; research into inexpensive reliable methods and instrumentation are needed. There have been multiple reviews of methods used for epidemiological studies and specific techniques. However, a general review of iodine determination on a wide-ranging set of complex matrices is not available. While this review is not comprehensive, we cover the principal developments since the original development of the S-K method. Copyright © 2011 Elsevier B.V. All rights reserved.

Brief summary of the evolution of high-temperature creep-fatigue life prediction models for crack initiation

NASA Technical Reports Server (NTRS)

Halford, Gary R.

1993-01-01

The evolution of high-temperature, creep-fatigue, life-prediction methods used for cyclic crack initiation is traced from inception in the late 1940's. The methods reviewed are material models as opposed to structural life prediction models. Material life models are used by both structural durability analysts and by material scientists. The latter use micromechanistic models as guidance to improve a material's crack initiation resistance. Nearly one hundred approaches and their variations have been proposed to date. This proliferation poses a problem in deciding which method is most appropriate for a given application. Approaches were identified as being combinations of thirteen different classifications. This review is intended to aid both developers and users of high-temperature fatigue life prediction methods by providing a background from which choices can be made. The need for high-temperature, fatigue-life prediction methods followed immediately on the heels of the development of large, costly, high-technology industrial and aerospace equipment immediately following the second world war. Major advances were made in the design and manufacture of high-temperature, high-pressure boilers and steam turbines, nuclear reactors, high-temperature forming dies, high-performance poppet valves, aeronautical gas turbine engines, reusable rocket engines, etc. These advances could no longer be accomplished simply by trial and error using the 'build-em and bust-em' approach. Development lead times were too great and costs too prohibitive to retain such an approach. Analytic assessments of anticipated performance, cost, and durability were introduced to cut costs and shorten lead times. The analytic tools were quite primitive at first and out of necessity evolved in parallel with hardware development. After forty years more descriptive, more accurate, and more efficient analytic tools are being developed. These include thermal-structural finite element and boundary element analyses, advanced constitutive stress-strain-temperature-time relations, and creep-fatigue-environmental models for crack initiation and propagation. The high-temperature durability methods that have evolved for calculating high-temperature fatigue crack initiation lives of structural engineering materials are addressed. Only a few of the methods were refined to the point of being directly useable in design. Recently, two of the methods were transcribed into computer software for use with personal computers.

Brief summary of the evolution of high-temperature creep-fatigue life prediction models for crack initiation

NASA Astrophysics Data System (ADS)

Halford, Gary R.

1993-10-01

The evolution of high-temperature, creep-fatigue, life-prediction methods used for cyclic crack initiation is traced from inception in the late 1940's. The methods reviewed are material models as opposed to structural life prediction models. Material life models are used by both structural durability analysts and by material scientists. The latter use micromechanistic models as guidance to improve a material's crack initiation resistance. Nearly one hundred approaches and their variations have been proposed to date. This proliferation poses a problem in deciding which method is most appropriate for a given application. Approaches were identified as being combinations of thirteen different classifications. This review is intended to aid both developers and users of high-temperature fatigue life prediction methods by providing a background from which choices can be made. The need for high-temperature, fatigue-life prediction methods followed immediately on the heels of the development of large, costly, high-technology industrial and aerospace equipment immediately following the second world war. Major advances were made in the design and manufacture of high-temperature, high-pressure boilers and steam turbines, nuclear reactors, high-temperature forming dies, high-performance poppet valves, aeronautical gas turbine engines, reusable rocket engines, etc. These advances could no longer be accomplished simply by trial and error using the 'build-em and bust-em' approach. Development lead times were too great and costs too prohibitive to retain such an approach. Analytic assessments of anticipated performance, cost, and durability were introduced to cut costs and shorten lead times. The analytic tools were quite primitive at first and out of necessity evolved in parallel with hardware development. After forty years more descriptive, more accurate, and more efficient analytic tools are being developed. These include thermal-structural finite element and boundary element analyses, advanced constitutive stress-strain-temperature-time relations, and creep-fatigue-environmental models for crack initiation and propagation. The high-temperature durability methods that have evolved for calculating high-temperature fatigue crack initiation lives of structural engineering materials are addressed. Only a few of the methods were refined to the point of being directly useable in design.

SAM Pathogen Methods Query

EPA Pesticide Factsheets

Laboratories measuring target pathogen analytes in environmental samples can use this online query tool to identify analytical methods in EPA's Selected Analytical Methods for Environmental Remediation and Recovery for select pathogens.

The Importance of International Technical Nuclear Forensics to Deter Illicit Trafficking

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, D K

2007-01-30

Illicit trafficking of nuclear materials is a transboundary problem that requires a cooperative approach involving international nuclear forensics to ensure all states understand the threat posed by nuclear smuggling as well as a means to best deter the movement of nuclear contraband. To achieve the objectives, all cases involving illicit trafficking of nuclear and radiological materials must be vigorously pursued and prosecuted when appropriate. The importance of outreach and formal government-to-government relationships with partner nations affected by nuclear trafficking cannot be under-estimated. States that are situated on smuggling routes may be well motivated to counter nuclear crimes to bolster theirmore » own border and transportation security as well as strengthen their economic and political viability. National law enforcement and atomic energy agencies in these states are aggressively pursuing a comprehensive strategy to counter nuclear smuggling through increasing reliance on technical nuclear forensics. As part of these activities, it is essential that these organizations be given adequate orientation to the best practices in this emerging discipline including the categorization of interdicted nuclear material, collection of traditional and nuclear forensic evidence, data analysis using optimized analytical protocols, and how to best fuse forensics information with reliable case input to best develop a law enforcement or national security response. The purpose of formalized USG relationship is to establish an institutional framework for collaboration in international forensics, improve standards of forensics practice, conduct joint exercises, and pursue case-work that benefits international security objectives. Just as outreach and formalized relationships are important to cultivate international nuclear forensics, linking nuclear forensics to ongoing national assistance in border and transpiration security, including port of entry of entry monitoring, nuclear safeguards, and emerging civilian nuclear power initiatives including the Global Nuclear Energy Partnership are crucial components of a successful nuclear detection and security architecture. Once illicit shipments of nuclear material are discovered at a border, the immediate next question will be the nature and the source of the material, as well as the identity of the individual(s) involved in the transfer as well as their motivations. The Nuclear Smuggling International Technical Working Group (ITWG) is a forum for the first responder, law enforcement, policy, and diplomatic community to partner with nuclear forensics experts worldwide to identify requirements and develop technical solutions in common. The ITWG was charted in 1996 and since that time approximately 30 member states and organizations have participated in 11 annual international meetings. The ITWG also works closely with the IAEA to provide countries with support for forensic analyses. Priorities include the development of common protocols for the collection of nuclear forensic evidence and laboratory investigations, organization of forensic round-robin analytical exercises and technical forensic assistance to requesting nations. To promote the science of nuclear forensics within the ITWG the Nuclear Forensics Laboratory Group was organized in 2004. A Model Action Plan for nuclear forensics was developed by the ITWG and published as an IAEA Nuclear security Series document to guide member states in their own forensics investigations. Through outreach, formalized partnerships, common approaches and security architectures, and international working groups, nuclear forensics provides an important contribution to promoting nuclear security and accountability.« less

40 CFR 136.6 - Method modifications and analytical requirements.

Code of Federal Regulations, 2010 CFR

2010-07-01

... person or laboratory using a test procedure (analytical method) in this Part. (2) Chemistry of the method... (analytical method) provided that the chemistry of the method or the determinative technique is not changed... prevent efficient recovery of organic pollutants and prevent the method from meeting QC requirements, the...

SAM Biotoxin Methods Query

EPA Pesticide Factsheets

Laboratories measuring target biotoxin analytes in environmental samples can use this online query tool to identify analytical methods included in EPA's Selected Analytical Methods for Environmental Remediation and Recovery for select biotoxins.

SAM Chemical Methods Query

EPA Pesticide Factsheets

Laboratories measuring target chemical, radiochemical, pathogens, and biotoxin analytes in environmental samples can use this online query tool to identify analytical methods in EPA's Selected Analytical Methods for Environmental Remediation and Recovery

7 CFR 91.23 - Analytical methods.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 7 Agriculture 3 2014-01-01 2014-01-01 false Analytical methods. 91.23 Section 91.23 Agriculture... SERVICES AND GENERAL INFORMATION Method Manuals § 91.23 Analytical methods. Most analyses are performed according to approved procedures described in manuals of standardized methodology. These standard methods...

7 CFR 91.23 - Analytical methods.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 7 Agriculture 3 2011-01-01 2011-01-01 false Analytical methods. 91.23 Section 91.23 Agriculture... SERVICES AND GENERAL INFORMATION Method Manuals § 91.23 Analytical methods. Most analyses are performed according to approved procedures described in manuals of standardized methodology. These standard methods...

7 CFR 91.23 - Analytical methods.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 7 Agriculture 3 2013-01-01 2013-01-01 false Analytical methods. 91.23 Section 91.23 Agriculture... SERVICES AND GENERAL INFORMATION Method Manuals § 91.23 Analytical methods. Most analyses are performed according to approved procedures described in manuals of standardized methodology. These standard methods...

SevenOperators, a Mathematica script for harmonic oscillator nuclear matrix elements arising in semileptonic electroweak interactions

NASA Astrophysics Data System (ADS)

Haxton, Wick; Lunardini, Cecilia

2008-09-01

Semi-leptonic electroweak interactions in nuclei—such as β decay, μ capture, charged- and neutral-current neutrino reactions, and electron scattering—are described by a set of multipole operators carrying definite parity and angular momentum, obtained by projection from the underlying nuclear charge and three-current operators. If these nuclear operators are approximated by their one-body forms and expanded in the nucleon velocity through order |p→|/M, where p→ and M are the nucleon momentum and mass, a set of seven multipole operators is obtained. Nuclear structure calculations are often performed in a basis of Slater determinants formed from harmonic oscillator orbitals, a choice that allows translational invariance to be preserved. Harmonic-oscillator single-particle matrix elements of the multipole operators can be evaluated analytically and expressed in terms of finite polynomials in q, where q is the magnitude of the three-momentum transfer. While results for such matrix elements are available in tabular form, with certain restriction on quantum numbers, the task of determining the analytic form of a response function can still be quite tedious, requiring the folding of the tabulated matrix elements with the nuclear density matrix, and subsequent algebra to evaluate products of operators. Here we provide a Mathematica script for generating these matrix elements, which will allow users to carry out all such calculations by symbolic manipulation. This will eliminate the errors that may accompany hand calculations and speed the calculation of electroweak nuclear cross sections and rates. We illustrate the use of the new script by calculating the cross sections for charged- and neutral-current neutrino scattering in 12C. Program summaryProgram title: SevenOperators Catalogue identifier: AEAY_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAY_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2227 No. of bytes in distributed program, including test data, etc.: 19 382 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer running Mathematica; tested on Mac OS X PowerPC (32-bit) running Mathematica 6.0.0 Operating system: Any running Mathematica RAM: Memory requirements determined by Mathematica; 512 MB or greater RAM and hard drive space of at least 3.0 GB recommended Classification: 17.16, 17.19 Nature of problem: Algebraic evaluation of harmonic oscillator nuclear matrix elements for the one-body multipole operators governing semi-leptonic weak interactions, such as charged- or neutral-current neutrino scattering off nuclei. Solution method: Mathematica evaluation of associated angular momentum algebra and spherical Bessel function radial integrals. Running time: Depends on the complexity of the one-body density matrix employed, but times of a few seconds are typical.

Net analyte signal standard addition method (NASSAM) as a novel spectrofluorimetric and spectrophotometric technique for simultaneous determination, application to assay of melatonin and pyridoxine

NASA Astrophysics Data System (ADS)

Asadpour-Zeynali, Karim; Bastami, Mohammad

2010-02-01

In this work a new modification of the standard addition method called "net analyte signal standard addition method (NASSAM)" is presented for the simultaneous spectrofluorimetric and spectrophotometric analysis. The proposed method combines the advantages of standard addition method with those of net analyte signal concept. The method can be applied for the determination of analyte in the presence of known interferents. The accuracy of the predictions against H-point standard addition method is not dependent on the shape of the analyte and interferent spectra. The method was successfully applied to simultaneous spectrofluorimetric and spectrophotometric determination of pyridoxine (PY) and melatonin (MT) in synthetic mixtures and in a pharmaceutical formulation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nichols, T.

The Nuclear Forensics Analysis Center (NFAC) is part of Savannah River National Laboratory (SRNL) and is one of only two USG National Laboratories accredited to perform nuclear forensic analyses to the requirements of ISO 17025. SRNL NFAC is capable of analyzing nuclear and radiological samples from bulk material to ultra-trace samples. NFAC provides analytical support to the FBI's Radiological Evidence Examination Facility (REEF), which is located within SRNL. REEF gives the FBI the capability to perform traditional forensics on material that is radiological and/or is contaminated. SRNL is engaged in research and development efforts to improve the USG technical nuclearmore » forensics capabilities. Research includes improving predictive signatures and developing a database containing comparative samples.« less

Technical support to the Nuclear Regulatory Commission for the boiling water reactor blowdown heat transfer program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rice, R.E.

Results are presented of studies conducted by Aerojet Nuclear Company (ANC) in FY 1975 to support the Nuclear Regulatory Commission (NRC) on the boiling water reactor blowdown heat transfer (BWR-BDHT) program. The support provided by ANC is that of an independent assessor of the program to ensure that the data obtained are adequate for verification of analytical models used for predicting reactor response to a postulated loss-of-coolant accident. The support included reviews of program plans, objectives, measurements, and actual data. Additional activity included analysis of experimental system performance and evaluation of the RELAP4 computer code as applied to the experiments.

Cooperative global security programs modeling & simulation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Briand, Daniel

2010-05-01

The national laboratories global security programs implement sustainable technical solutions for cooperative nonproliferation, arms control, and physical security systems worldwide. To help in the development and execution of these programs, a wide range of analytical tools are used to model, for example, synthetic tactical environments for assessing infrastructure protection initiatives and tactics, systematic approaches for prioritizing nuclear and biological threat reduction opportunities worldwide, and nuclear fuel cycle enrichment and spent fuel management for nuclear power countries. This presentation will describe how these models are used in analyses to support the Obama Administration's agenda and bilateral/multinational treaties, and ultimately, to reducemore » weapons of mass destruction and terrorism threats through international technical cooperation.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crapo, John; Jakubowski, Ted

When an earthquake and tsunami hit off the coast of Japan on March 11, 2011, and triggered a nuclear crisis, the U.S. immediately offered support. Among those tapped to assist was ORAU's National Security and Emergency Management team, which provided NNSA with technical and analytical nuclear incident support. Within 48 hours of the earthquake, ORAU emergency management experts accompanied the DOE Office of Emergency Response in deploying to Japan to support the U.S. Air Force Base in Yokota and the U.S. Embassy. A separate team from ORAU supported the NNSA Nuclear Incident Team, which served as the point of coordinationmore » for all support activities both in Japan and in the U.S.« less

Lorentz force effect on mixed convection micropolar flow in a vertical conduit

NASA Astrophysics Data System (ADS)

Abdel-wahed, Mohamed S.

2017-05-01

The present work provides a simulation of control and filtration process of hydromagnetic blood flow with Hall current under the effect of heat source or sink through a vertical conduit (pipe). This work meets other engineering applications, such as nuclear reactors cooled during emergency shutdown, geophysical transport in electrically conducting and heat exchangers at low velocity conditions. The problem is modeled by a system of partial differential equations taking the effect of viscous dissipation, and these equations are simplified and solved analytically as a series solution using the Differential Transformation Method (DTM). The velocities and temperature profiles of the flow are plotted and discussed. Moreover, the conduit wall shear stress and heat flux are deduced and explained.

Toroid cavity/coil NMR multi-detector

DOEpatents

Gerald, II, Rex E.; Meadows, Alexander D.; Gregar, Joseph S.; Rathke, Jerome W.

2007-09-18

An analytical device for rapid, non-invasive nuclear magnetic resonance (NMR) spectroscopy of multiple samples using a single spectrometer is provided. A modified toroid cavity/coil detector (TCD), and methods for conducting the simultaneous acquisition of NMR data for multiple samples including a protocol for testing NMR multi-detectors are provided. One embodiment includes a plurality of LC resonant circuits including spatially separated toroid coil inductors, each toroid coil inductor enveloping its corresponding sample volume, and tuned to resonate at a predefined frequency using a variable capacitor. The toroid coil is formed into a loop, where both ends of the toroid coil are brought into coincidence. Another embodiment includes multiple micro Helmholtz coils arranged on a circular perimeter concentric with a central conductor of the toroid cavity.

Studies of HZE particle interactions and transport for space radiation protection purposes

NASA Technical Reports Server (NTRS)

Townsend, Lawrence W.; Wilson, John W.; Schimmerling, Walter; Wong, Mervyn

1987-01-01

The main emphasis is on developing general methods for accurately predicting high-energy heavy ion (HZE) particle interactions and transport for use by researchers in mission planning studies, in evaluating astronaut self-shielding factors, and in spacecraft shield design and optimization studies. The two research tasks are: (1) to develop computationally fast and accurate solutions to the Boltzmann (transport) equation; and (2) to develop accurate HZE interaction models, from fundamental physical considerations, for use as inputs into these transport codes. Accurate solutions to the HZE transport problem have been formulated through a combination of analytical and numerical techniques. In addition, theoretical models for the input interaction parameters are under development: stopping powers, nuclear absorption cross sections, and fragmentation parameters.

Level-2 IPE for the Laguna Verde NPS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arellano, J.; De Loera, M.A.; Rea, R.

1996-12-31

In response to generic letter GL 88-20, Comision Federal de Electricidad and Instituto de Investigaciones Electricas have jointly developed the individual plant examination (IPE) for the Laguna Verde nuclear power station unit I (LVNPS). This plant is a 675-MW(electric) boiling water reactor (BWR/5) with a reinforced concrete Mark-II containment. The approach used to fulfill the IPE requirements was to make a level-1 probabilistic risk assessment (IPE level 1) plus a containment performance analysis including the behavior and release of the fission products to the environment (IPE level 2). This paper describes the level-2 portion of the LVNPS IPE, paying specialmore » attention to both some improvements to the traditional analytical methods and to the main results.« less

Gradient-based multiconfiguration Shepard interpolation for generating potential energy surfaces for polyatomic reactions.

PubMed

Tishchenko, Oksana; Truhlar, Donald G

2010-02-28

This paper describes and illustrates a way to construct multidimensional representations of reactive potential energy surfaces (PESs) by a multiconfiguration Shepard interpolation (MCSI) method based only on gradient information, that is, without using any Hessian information from electronic structure calculations. MCSI, which is called multiconfiguration molecular mechanics (MCMM) in previous articles, is a semiautomated method designed for constructing full-dimensional PESs for subsequent dynamics calculations (classical trajectories, full quantum dynamics, or variational transition state theory with multidimensional tunneling). The MCSI method is based on Shepard interpolation of Taylor series expansions of the coupling term of a 2 x 2 electronically diabatic Hamiltonian matrix with the diagonal elements representing nonreactive analytical PESs for reactants and products. In contrast to the previously developed method, these expansions are truncated in the present version at the first order, and, therefore, no input of electronic structure Hessians is required. The accuracy of the interpolated energies is evaluated for two test reactions, namely, the reaction OH+H(2)-->H(2)O+H and the hydrogen atom abstraction from a model of alpha-tocopherol by methyl radical. The latter reaction involves 38 atoms and a 108-dimensional PES. The mean unsigned errors averaged over a wide range of representative nuclear configurations (corresponding to an energy range of 19.5 kcal/mol in the former case and 32 kcal/mol in the latter) are found to be within 1 kcal/mol for both reactions, based on 13 gradients in one case and 11 in the other. The gradient-based MCMM method can be applied for efficient representations of multidimensional PESs in cases where analytical electronic structure Hessians are too expensive or unavailable, and it provides new opportunities to employ high-level electronic structure calculations for dynamics at an affordable cost.

Teaching Analytical Method Transfer through Developing and Validating Then Transferring Dissolution Testing Methods for Pharmaceuticals

ERIC Educational Resources Information Center

Kimaru, Irene; Koether, Marina; Chichester, Kimberly; Eaton, Lafayette

2017-01-01

Analytical method transfer (AMT) and dissolution testing are important topics required in industry that should be taught in analytical chemistry courses. Undergraduate students in senior level analytical chemistry laboratory courses at Kennesaw State University (KSU) and St. John Fisher College (SJFC) participated in development, validation, and…

Structure of the classical scrape-off layer of a tokamak

NASA Astrophysics Data System (ADS)

Rozhansky, V.; Kaveeva, E.; Senichenkov, I.; Vekshina, E.

2018-03-01

The structure of the scrape-off layer (SOL) of a tokamak with little or no turbulent transport is analyzed. The analytical estimates of the density and electron temperature fall-off lengths of the SOL are put forward. It is demonstrated that the SOL width could be of the order of the ion poloidal gyroradius, as suggested in Goldston (2012 Nuclear Fusion 52 013009). The analytical results are supported by the results of the 2D simulations of the edge plasma with reduced transport coefficients performed by SOLPS-ITER transport code.

Reexamining the Ethics of Nuclear Technology.

PubMed

Andrianov, Andrei; Kanke, Victor; Kuptsov, Ilya; Murogov, Viktor

2015-08-01

This article analyzes the present status, development trends, and problems in the ethics of nuclear technology in light of a possible revision of its conceptual foundations. First, to better recognize the current state of nuclear technology ethics and related problems, this article focuses on presenting a picture of the evolution of the concepts and recent achievements related to technoethics, based on the ethics of responsibility. The term 'ethics of nuclear technology' describes a multidisciplinary endeavor to examine the problems associated with nuclear technology through ethical frameworks and paradigms. Second, to identify the reasons for the intensification of efforts to develop ethics in relation to nuclear technology, this article presents an analysis of the recent situation and future prospects of nuclear technology deployment. This includes contradictions that have aggravated nuclear dilemmas and debates stimulated by the shortcomings of nuclear technology, as well as the need for the further development of a nuclear culture paradigm that is able to provide a conceptual framework to overcome nuclear challenges. Third, efforts in the field of nuclear technology ethics are presented as a short overview of particular examples, and the major findings regarding obstacles to the development of nuclear technology ethics are also summarized. Finally, a potential methodological course is proposed to overcome inaction in this field; the proposed course provides for the further development of nuclear technology ethics, assuming the axiological multidisciplinary problematization of the main concepts in nuclear engineering through the basic ethical paradigms: analytical, hermeneutical, and poststructuralist.

Structural Health Monitoring of Nuclear Spent Fuel Storage Facilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Lingyu

Interim storage of spent nuclear fuel from reactor sites has gained additional importance and urgency for resolving waste-management-related technical issues. To ensure that nuclear power remains clean energy, monitoring has been identified by DOE as a high priority cross-cutting need, necessary to determine and predict the degradation state of the systems, structures, and components (SSCs) important to safety (ITS). Therefore, nondestructive structural condition monitoring becomes a need to be installed on existing or to be integrated into future storage system to quantify the state of health or to guarantee the safe operation of nuclear power plants (NPPs) during their extendedmore » life span. In this project, the lead university and the collaborating national laboratory teamed to develop a nuclear structural health monitoring (n-SHM) system based on in-situ piezoelectric sensing technologies that can monitor structural degradation and aging for nuclear spent fuel DCSS and similar structures. We also aimed to identify and quantify possible influences of nuclear spent fuel environment (temperature and radiation) to the piezoelectric sensor system and come up with adequate solutions and guidelines therefore. We have therefore developed analytical model for piezoelectric based n-SHM methods, with considerations of temperature and irradiation influence on the model of sensing and algorithms in acoustic emission (AE), guided ultrasonic waves (GUW), and electromechanical impedance spectroscopy (EMIS). On the other side, experimentally the temperature and irradiation influence on the piezoelectric sensors and sensing capabilities were investigated. Both short-term and long-term irradiation investigation with our collaborating national laboratory were performed. Moreover, we developed multi-modal sensing, validated in laboratory setup, and conducted the testing on the We performed multi-modal sensing development, verification and validation tests on very complex structures including a medium-scale vacuum drying chamber and a small-scale mockup canister available for the desired testing. Our work developed the potential candidate for long term structural health monitoring of spent fuel canister through piezoelectric wafer sensors and provided the sensing methodologies based on AE and GUW methodologies. It overall provides an innovative system and methodology for enhancing the safe operation of nuclear power plant. All major accomplishments planned in the original proposal were successfully achieved.« less

Analytical analysis and implementation of a low-speed high-torque permanent magnet vernier in-wheel motor for electric vehicle

NASA Astrophysics Data System (ADS)

Li, Jiangui; Wang, Junhua; Zhigang, Zhao; Yan, Weili

2012-04-01

In this paper, analytical analysis of the permanent magnet vernier (PMV) is presented. The key is to analytically solve the governing Laplacian/quasi-Poissonian field equations in the motor regions. By using the time-stepping finite element method, the analytical method is verified. Hence, the performances of the PMV machine are quantitatively compared with that of the analytical results. The analytical results agree well with the finite element method results. Finally, the experimental results are given to further show the validity of the analysis.

A Separable Insertion Method to Calculate Atomic and Molecular Resonances on a FE-DVR Grid using Exterior Complex Scaling

NASA Astrophysics Data System (ADS)

Abeln, Brant Anthony

The study of metastable electronic resonances, anion or neutral states of finite lifetime, in molecules is an important area of research where currently no theoretical technique is generally applicable. The role of theory is to calculate both the position and width, which is proportional to the inverse of the lifetime, of these resonances and how they vary with respect to nuclear geometry in order to generate potential energy surfaces. These surfaces are the basis of time-dependent models of the molecular dynamics where the system moves towards vibrational excitation or fragmentation. Three fundamental electronic processes that can be modeled this way are dissociative electronic attachment, vibrational excitation through electronic impact and autoionization. Currently, experimental investigation into these processes is being preformed on polyatomic molecules while theoreticians continue their fifty-year-old search for robust methods to calculate them. The separable insertion method, investigated in this thesis, seeks to tackle the problem of calculating metastable resonances by using existing quantum chemistry tools along with a grid-based method employing exterior complex scaling (ECS). Modern quantum chemistry methods are extremely efficient at calculating ground and (bound) excited electronic states of atoms and molecules by utilizing Gaussian basis functions. These functions provide both a numerically fast and analytic solution to the necessary two-electron, six-dimensional integrals required in structure calculations. However, these computer programs, based on analytic Gaussian basis sets, cannot construct solutions that are not square-integrable, such as resonance wavefunctions. ECS, on the other hand, can formally calculate resonance solutions by rotating the asymptotic electronic coordinates into the complex plane. The complex Siegert energies for resonances, Eres = ER - iGamma/2 where ER is the real-valued position of the resonance and Gamma is the width of the resonance, can be found directly as an isolated pole in the complex energy plane. Unlike the straight complex scaling, ECS on the electronic coordinates overcomes the non-analytic behavior of the nuclear attraction potential, as a function of complex [special characters omitted] where the sum is over each nucleus in a molecular system. Discouragingly, the Gaussian basis functions, which are computationally well-suited for bound electronic structure, fail at forming an effective basis set for ECS due to the derivative discontinuity generated by the complex coordinate rotation and the piecewise defined contour. This thesis seeks to explore methods for implementing ECS indirectly without losing the numerical simplicity and power of Gaussian basis sets. The separable insertion method takes advantage of existing software by constructing a N2-term separable potential of the target system using Gaussian functions to be inserted into a finite-element discrete variable representation (FE-DVR) grid that implements ECS. This work reports an exhaustive investigation into this approach for calculating resonances. This thesis shows that this technique is successful at describing an anion shape resonance of a closed-shell atom or molecule in the static-exchange approximation. This method is applied to the 2P Be-, 2pig N2- and 2pi u CO2- shape resonances to calculate their complex Seigert energies. Additionally, many details on the exact construction of the separable potential and of the expansion basis are explored. The future work considers methods for faster convergence of the resonance energy, moving beyond the static-exchange approximation and applying this technique to polyatomic systems of interest.

Nuclear-safety institution in France: emergence and development

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vallet, B.M.

1986-01-01

This research work examines the social construction of the nuclear-safety institution in France, and the concurrent increased focus on the nuclear-risk issue. Emphasis on risk and safety, as primarily technical issues, can partly be seen as a strategy. Employed by power elites in the nuclear technostructure, this diverts emphasis away from controversial and normative questions regarding the political and social consequences of technology to questions of technology that appear to be absolute to the technology itself. Nuclear safety, which started from a preoccupation with risk related to the nuclear energy research and development process, is examined using the analytic conceptmore » of field. As a social arena patterned to achieve specific tasks, this field is dominated by a body of state engineers recognized to have high-level scientific and administrative competences. It is structured by procedures and administrative hierarchies as well as by technical rules, norms, and standards. These are formalized and rationalized through technical, economic, political, and social needs; over time; they consolidate the field into an institution. The study documents the nuclear-safety institution as an integral part of the nuclear technostructure, which has historically used the specificity of its expertise as a buffer against outside interference.« less

A sample preparation method for recovering suppressed analyte ions in MALDI TOF MS.

PubMed

Lou, Xianwen; de Waal, Bas F M; Milroy, Lech-Gustav; van Dongen, Joost L J

2015-05-01

In matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI TOF MS), analyte signals can be substantially suppressed by other compounds in the sample. In this technical note, we describe a modified thin-layer sample preparation method that significantly reduces the analyte suppression effect (ASE). In our method, analytes are deposited on top of the surface of matrix preloaded on the MALDI plate. To prevent embedding of analyte into the matrix crystals, the sample solution were prepared without matrix and efforts were taken not to re-dissolve the preloaded matrix. The results with model mixtures of peptides, synthetic polymers and lipids show that detection of analyte ions, which were completely suppressed using the conventional dried-droplet method, could be effectively recovered by using our method. Our findings suggest that the incorporation of analytes in the matrix crystals has an important contributory effect on ASE. By reducing ASE, our method should be useful for the direct MALDI MS analysis of multicomponent mixtures. Copyright © 2015 John Wiley & Sons, Ltd.

Analysis of chemical weapons decontamination waste from old ton containers from Johnston Atoll using multiple analytical methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Creasy, W.R.; Brickhouse, M.D.; Morrisse, K.M.

1999-07-01

Decontamination waste from chemical weapons (CW) agents has been stored in ton containers on Johnston Atoll since 1971. The waste was recently sampled and analyzed to determine its chemical composition in preparation for future cleanups. Due to the range of products and analytical requirements, multiple chromatographic and spectroscopic methods were necessary, including gas chromatography/mass spectrometry (GC/MS), gas chromatography/atomic emission detection (GC/AED), liquid chromatography/mass spectrometry (LC/MS), capillary electrophoresis (CE), and nuclear magnetic resonance spectroscopy (NMR). The samples were screened for residual agents. No residual sarin (GB) or VX was found to detection limits of 20 ng/mL, but 3% of the samplesmore » contained residual sulfur mustard (HD) at < 140 ng/mL. Decontamination products of agents were identified. The majority (74%) of the ton containers were documented correctly, in that the observed decontamination products were in agreement with the labeled agent type, but for a number of the containers, the contents were not in agreement with the labels. In addition, arsenic compounds that are decontamination products of the agent lewisite (L) were observed in a few ton containers, suggesting that lewisite was originally present but not documented. This study was a prototype to demonstrate the level of effort required to characterize old bulk CW-related waste.« less

Adiabatic release measurements in aluminum between 400 and 1200 GPa: Characterization of aluminum as a shock standard in the multimegabar regime

DOE PAGES

Knudson, Marcus D.; Desjarlais, Michael P.; Pribram-Jones, Aurora

2015-06-15

Aluminum has been used prolifically as an impedance matching standard in the multimegabar regime (1 Mbar = 100 GPa), particularly in nuclear driven, early laser driven, and early magnetically driven flyer plate experiments. The accuracy of these impedance matching measurements depends upon the knowledge of both the Hugoniot and release or reshock response of aluminum. Here, we present the results of several adiabatic release measurements of aluminum from ~400–1200 GPa states along the principal Hugoniot using full density polymethylpentene (commonly known as TPX), and both ~190 and ~110 mg/cc silica aerogel standards. Additionally, these data were analyzed within the frameworkmore » of a simple, analytical model that was motivated by a first-principles molecular dynamics investigation into the release response of aluminum, as well as by a survey of the release response determined from several tabular equations of state for aluminum. Combined, this theoretical and experimental study provides a method to perform impedance matching calculations without the need to appeal to any tabular equation of state for aluminum. Furthermore, as an analytical model, this method allows for propagation of all uncertainty, including the random measurement uncertainties and the systematic uncertainties of the Hugoniot and release response of aluminum. This work establishes aluminum for use as a high-precision standard for impedance matching in the multimegabar regime.« less

Remote geologic structural analysis of Yucca Flat

NASA Astrophysics Data System (ADS)

Foley, M. G.; Heasler, P. G.; Hoover, K. A.; Rynes, N. J.; Thiessen, R. L.; Alfaro, J. L.

1991-12-01

The Remote Geologic Analysis (RGA) system was developed by Pacific Northwest Laboratory (PNL) to identify crustal structures that may affect seismic wave propagation from nuclear tests. Using automated methods, the RGA system identifies all valleys in a digital elevation model (DEM), fits three-dimensional vectors to valley bottoms, and catalogs all potential fracture or fault planes defined by coplanar pairs of valley vectors. The system generates a cluster hierarchy of planar features having greater-than-random density that may represent areas of anomalous topography manifesting structural control of erosional drainage development. Because RGA uses computer methods to identify zones of hypothesized control of topography, ground truth using a well-characterized test site was critical in our evaluation of RGA's characterization of inaccessible test sites for seismic verification studies. Therefore, we applied RGA to a study area centered on Yucca Flat at the Nevada Test Site (NTS) and compared our results with both mapped geology and geologic structures and with seismic yield-magnitude models. This is the final report of PNL's RGA development project for peer review within the U.S. Department of Energy Office of Arms Control (OAC) seismic-verification community. In this report, we discuss the Yucca Flat study area, the analytical basis of the RGA system and its application to Yucca Flat, the results of the analysis, and the relation of the analytical results to known topography, geology, and geologic structures.

Gravitational waveforms for neutron star binaries from binary black hole simulations

NASA Astrophysics Data System (ADS)

Barkett, Kevin; Scheel, Mark; Haas, Roland; Ott, Christian; Bernuzzi, Sebastiano; Brown, Duncan; Szilagyi, Bela; Kaplan, Jeffrey; Lippuner, Jonas; Muhlberger, Curran; Foucart, Francois; Duez, Matthew

2016-03-01

Gravitational waves from binary neutron star (BNS) and black-hole/neutron star (BHNS) inspirals are primary sources for detection by the Advanced Laser Interferometer Gravitational-Wave Observatory. The tidal forces acting on the neutron stars induce changes in the phase evolution of the gravitational waveform, and these changes can be used to constrain the nuclear equation of state. Current methods of generating BNS and BHNS waveforms rely on either computationally challenging full 3D hydrodynamical simulations or approximate analytic solutions. We introduce a new method for computing inspiral waveforms for BNS/BHNS systems by adding the post-Newtonian (PN) tidal effects to full numerical simulations of binary black holes (BBHs), effectively replacing the non-tidal terms in the PN expansion with BBH results. Comparing a waveform generated with this method against a full hydrodynamical simulation of a BNS inspiral yields a phase difference of < 1 radian over ~ 15 orbits. The numerical phase accuracy required of BNS simulations to measure the accuracy of the method we present here is estimated as a function of the tidal deformability parameter λ.

Gravitational waveforms for neutron star binaries from binary black hole simulations

NASA Astrophysics Data System (ADS)

Barkett, Kevin; Scheel, Mark A.; Haas, Roland; Ott, Christian D.; Bernuzzi, Sebastiano; Brown, Duncan A.; Szilágyi, Béla; Kaplan, Jeffrey D.; Lippuner, Jonas; Muhlberger, Curran D.; Foucart, Francois; Duez, Matthew D.

2016-02-01

Gravitational waves from binary neutron star (BNS) and black hole/neutron star (BHNS) inspirals are primary sources for detection by the Advanced Laser Interferometer Gravitational-Wave Observatory. The tidal forces acting on the neutron stars induce changes in the phase evolution of the gravitational waveform, and these changes can be used to constrain the nuclear equation of state. Current methods of generating BNS and BHNS waveforms rely on either computationally challenging full 3D hydrodynamical simulations or approximate analytic solutions. We introduce a new method for computing inspiral waveforms for BNS/BHNS systems by adding the post-Newtonian (PN) tidal effects to full numerical simulations of binary black holes (BBHs), effectively replacing the nontidal terms in the PN expansion with BBH results. Comparing a waveform generated with this method against a full hydrodynamical simulation of a BNS inspiral yields a phase difference of <1 radian over ˜15 orbits. The numerical phase accuracy required of BNS simulations to measure the accuracy of the method we present here is estimated as a function of the tidal deformability parameter λ .

Proposal of Classification Method of Time Series Data in International Emissions Trading Market Using Agent-based Simulation

NASA Astrophysics Data System (ADS)

Nakada, Tomohiro; Takadama, Keiki; Watanabe, Shigeyoshi

This paper proposes the classification method using Bayesian analytical method to classify the time series data in the international emissions trading market depend on the agent-based simulation and compares the case with Discrete Fourier transform analytical method. The purpose demonstrates the analytical methods mapping time series data such as market price. These analytical methods have revealed the following results: (1) the classification methods indicate the distance of mapping from the time series data, it is easier the understanding and inference than time series data; (2) these methods can analyze the uncertain time series data using the distance via agent-based simulation including stationary process and non-stationary process; and (3) Bayesian analytical method can show the 1% difference description of the emission reduction targets of agent.

40 CFR 141.704 - Analytical methods.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 22 2010-07-01 2010-07-01 false Analytical methods. 141.704 Section... Monitoring Requirements § 141.704 Analytical methods. (a) Cryptosporidium. Systems must analyze for Cryptosporidium using Method 1623: Cryptosporidium and Giardia in Water by Filtration/IMS/FA, 2005, United States...

40 CFR 141.704 - Analytical methods.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 23 2014-07-01 2014-07-01 false Analytical methods. 141.704 Section... Monitoring Requirements § 141.704 Analytical methods. (a) Cryptosporidium. Systems must analyze for Cryptosporidium using Method 1623: Cryptosporidium and Giardia in Water by Filtration/IMS/FA, 2005, United States...

40 CFR 141.704 - Analytical methods.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 24 2013-07-01 2013-07-01 false Analytical methods. 141.704 Section... Monitoring Requirements § 141.704 Analytical methods. (a) Cryptosporidium. Systems must analyze for Cryptosporidium using Method 1623: Cryptosporidium and Giardia in Water by Filtration/IMS/FA, 2005, United States...

77 FR 41336 - Analytical Methods Used in Periodic Reporting

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-13

... Methods Used in Periodic Reporting AGENCY: Postal Regulatory Commission. ACTION: Notice of filing. SUMMARY... proceeding to consider changes in analytical methods used in periodic reporting. This notice addresses... informal rulemaking proceeding to consider changes in the analytical methods approved for use in periodic...

40 CFR 141.704 - Analytical methods.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 23 2011-07-01 2011-07-01 false Analytical methods. 141.704 Section... Monitoring Requirements § 141.704 Analytical methods. (a) Cryptosporidium. Systems must analyze for Cryptosporidium using Method 1623: Cryptosporidium and Giardia in Water by Filtration/IMS/FA, 2005, United States...

40 CFR 141.704 - Analytical methods.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 24 2012-07-01 2012-07-01 false Analytical methods. 141.704 Section... Monitoring Requirements § 141.704 Analytical methods. (a) Cryptosporidium. Systems must analyze for Cryptosporidium using Method 1623: Cryptosporidium and Giardia in Water by Filtration/IMS/FA, 2005, United States...

Recently published analytical methods for determining alcohol in body materials : alcohol countermeasures literature review

DOT National Transportation Integrated Search

1974-10-01

The author has brought the review of published analytical methods for determining alcohol in body materials up-to- date. The review deals with analytical methods for alcohol in blood and other body fluids and tissues; breath alcohol methods; factors ...

Analysis of trace neptunium in the vicinity of underground nuclear tests at the Nevada National Security Site

DOE PAGES

Zhao, P.; Tinnacher, R. M.; Zavarin, M.; ...

2014-11-01

A high sensitivity analytical method for 237Np analysis was developed and applied to groundwater samples from the Nevada National Security Site (NNSS) using short-lived 239Np as a yield tracer and HR magnetic sector ICP-MS. The 237Np concentrations in the vicinity of the Almendro, Cambric, Dalhart, Cheshire, and Chancellor underground nuclear test locations range from <4 × 10 -4 to 2.6 mBq/L (6 × 10 -17–4.2 × 10 -13 mol/L). All measured 237Np concentrations are well below the drinking water maximum contaminant level for alpha emitters identified by the U.S. EPA (560 mBq/L). Nevertheless, 237Np remains an important indicator for radionuclidemore » transport rates at the NNSS. Retardation factor ratios were used to compare the mobility of 237Np to that of other radionuclides. The results suggest that 237Np is less mobile than tritium and other non-sorbing radionuclides ( 14C, 36Cl, 99Tc and 129I) as expected. Surprisingly, 237Np and plutonium ( 239,240Pu) retardation factors are very similar. It is possible that Np(IV) exists under mildly reducing groundwater conditions and exhibits a retardation behavior that is comparable to Pu(IV). Independent of the underlying process, 237Np is migrating downgradient from NNSS underground nuclear tests at very low but measureable concentrations.« less