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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Nuclear Data Sheets for A = 42

The experimental data are evaluated for known nuclides of mass number A = 42 (Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr). Detailed evaluated level properties and related information are presented, including adopted values of level and γ–ray energies, decay data (energies, intensities and placement of radiations), and other spectroscopic data. This work supersedes earlier full evaluations of A = 42 published by B. Singh, J.A. Cameron – Nucl.Data Sheets 92, 1 (2001) and P.M. Endt – Nucl. Phys. A521, 1 (1990); Errata and Addenda Nucl. Phys. A529, 763 (1991); Errata Nucl. Phys. A564, 609 (1993) (also P.M. Endt – Nucl. Phys. A633, 1 (1998) update). No excited states are known in {sup 42}Al, {sup 42}P, {sup 42}V and {sup 42}Cr, and structure information for {sup 42}Si and {sup 42}S is quite limited. There are no decay schemes available for the decay of {sup 42}Al, {sup 42}Si, {sup 42}P, {sup 42}V and {sup 42}Cr, while the decay schemes of {sup 42}Cl and {sup 42}Ti are incomplete in view of scarcity of data, and large gap between their Q–values and the highest energy levels populated in corresponding daughter nuclei. Structures of {sup 42}Ca, {sup 42}K, {sup 42}Sc and {sup 42}Ar nuclides remain the most extensively studied via many different nuclear reactions and decays.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Electrochemical Behavior of Steel in Concrete Under Wet and Dry Condition with NaCl Solution

The corrosion of steel and environmental factors in concrete under the wet and dry condition were examined by using electrochemical impedance spectroscopy (EIS) and microelectrode sensors. The concentration of chloride ion (CL) was detected by Ag/AgCl microelectrode, and the pH was monitored by W/WO{sub x} one. The CL increased step by step according to the wet and dry condition. Besides, the cathodic current of the oxygen (I{sub O{sub 2}}) was increased just after the immersion of concrete sample in wet process. These behaviors were thought to promote the corrosion of steel. From EIS, the rust was formed and destroyed on the surface of steel in concrete under the wet and dry condition. It was quantitatively demonstrated by monitoring that the corrosion of steel started when CL exceeded the threshold value in concrete under the wet and dry condition.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Departure of microscopic friction from macroscopic drag in molecular fluid dynamics

Friction coefficient of the Langevin equation and drag of spherical macroscopic objects in steady flow at low Reynolds numbers are usually regarded as equivalent. We show that the microscopic friction can be different from the macroscopic drag when the mass is taken into account for particles with comparable scale to the surrounding fluid molecules. We illustrate it numerically by molecular dynamics simulation of chloride ion in water. Friction variation by the atomistic mass effect beyond the Langevin regime can be of use in the drag reduction technology as well as the electro or thermophoresis.

42 ENGINEERING↗
DOE OSTI2025

TEX-Chlorine Assemblies: Highly Enriched Uranium Plates with Sodium Chloride Absorbers Using Polyethylene Moderator and Polyethylene Reflector

This evaluation documents highly enriched uranium (HEU) experimental critical configurations with polyethylene moderators and sodium chloride absorbers conducted as part of the United States Nuclear Criticality Safety Program’s Thermal/Epithermal eXperiments (TEX) program. HEU-MET-MIXED-021 provides the benchmark evaluation of five TEX experiments designed to establish baseline configurations with HEU Jemima plates moderated by high density polyethylene (HDPE). The TEX-HEU experiments were designed to cover five different fission energy regimes by varying the thickness of the interstitial HDPE moderator, with varying fractions of thermal, intermediate, and fast fissions, and to be easily modified to accommodate test materials of interest. HEU-MET-INTER-013 documents the first TEX-HEU variation, incorporating hafnium in seven different experimental configurations. This evaluation covers an additional variant that incorporates absorber plates of compacted high-purity sodium chloride salt. These experiments were motivated by a criticality safety need for validation data for uranium purification by means of electrorefining with chloride salts, especially thermal and intermediate energy configurations resulting from moderator upset conditions, and their design was optimized by matching sensitivity profiles from application cases. All three experimental configurations are judged to be acceptable as benchmark cases. The main parameter varied between the configurations is the thickness of the polyethylene moderators and the sodium chloride absorbers between the HEU plates. Varying the thickness of the polyethylene tunes the neutron energy spectrum between majority thermal (Case 1 and 2) and intermediate (Case 3). The fission fractions, presented in Table 1, are determined calculationally. Case 3 is cross listed as HEU-MET-INTER-014.

42 ENGINEERING↗
DOE OSTI2015

Viable chemical approach for patterning nanoscale magnetoresistive random access memory

A reactive ion etching process with alternating Cl{sub 2} and H{sub 2} exposures has been shown to chemically etch CoFe film that is an integral component in magnetoresistive random access memory (MRAM). Starting with systematic thermodynamic calculations assessing various chemistries and reaction pathways leading to the highest possible vapor pressure of the etch products reactions, the potential chemical combinations were verified by etch rate investigation and surface chemistry analysis in plasma treated CoFe films. An ∼20% enhancement in etch rate was observed with the alternating use of Cl{sub 2} and H{sub 2} plasmas, in comparison with the use of only Cl{sub 2} plasma. This chemical combination was effective in removing metal chloride layers, thus maintaining the desired magnetic properties of the CoFe films. Scanning electron microscopy equipped with energy-dispersive x-ray spectroscopy showed visually and spectroscopically that the metal chloride layers generated by Cl{sub 2} plasma were eliminated with H{sub 2} plasma to yield a clean etch profile. This work suggests that the selected chemistries can be used to etch magnetic metal alloys with a smooth etch profile and this general strategy can be applied to design chemically based etch processes to enable the fabrication of highly integrated nanoscale MRAM devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Validation study for crediting chlorine in critically analyses for spent nuclear fuel disposition - 14428

Spent nuclear fuel (SNF) management practices in the United States rely on dry storage systems that include both canister- and cask-based systems. The United States Department of Energy Used Fuel Disposition Campaign is examining the feasibility of direct disposal of dual-purpose (storage and transportation) canisters (DPCs) in a geological repository. One of the major technical challenges for direct disposal is the ability to demonstrate the subcriticality of the DPCs loaded with SNF for the repository performance period (e.g., 10,000 years or more) as the DPCs may undergo degradation over time. Specifically, groundwater ingress into the DPC (i.e., flooding) could allow the system to achieve criticality in scenarios where the neutron absorber plates in the DPC basket have degraded. However, as was shown by Banerjee et al., some aqueous species in the groundwater provide noticeable reactivity reduction for these systems. For certain amounts of particular aqueous species (e.g., chlorine, lithium) in the groundwater, subcriticality can be demonstrated even for DPCs with complete degradation of the neutron absorber plates or a degraded fuel basket configuration. It has been demonstrated that chlorine is the leading impurity, as indicated by significant neutron absorption in the water that is available in reasonable quantities for the deep geological repository media under consideration. This paper presents the results of an investigation of the available integral experiments worldwide that could be used to validate DPC disposal criticality evaluations, including credit for chlorine. Due to the small number of applicable critical configurations, validation through traditional trending analysis was not possible. The bias in the eigenvalue of the application systems due only to the chlorine was calculated using TSURFER analysis and found to be on the order of 100 percent mille (1 pcm = 10-5 k{sub eff}). This study investigated the design of a series of critical configurations with varying amounts of chlorine to address validation gaps. Such integral experiments would support the crediting of the chlorine neutron-absorption properties in groundwater and the demonstration of subcriticality for DPCs in deep geologic repositories with sufficient chlorine availability. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Observing the real time formation of phosphine-ligated gold clusters by electrospray ionization mass spectrometry

Early stages of the reduction and nucleation of solution-phase gold clusters are largely unknown. This is due, in part, to the high reaction rates and the complexity of the cluster synthesis process. Through the addition of a diphosphine ligand, 1-4,Bis(diphenylphosphino)butane (L4) to the gold precursor, chloro(triphenylphosphine) gold(I) (Au(PPh3)Cl), in methanol organometallic complexes of the type, [Au(L4)x(L4O)y(PPh3)z]+, are formed. These complexes lower the rate of reduction so that the reaction can be directly monitored from 1 min to over an hour using on-line electrospray ionization mass spectrometry (ESI-MS). Our results indicate that the formation of Au8(L4)42+, Au9(L4)4H2+ and Au10(L4)52+ cationic clusters occurs through different reaction pathways that may be kinetically controlled either through the reducing agent concentration or the extent of oxidation of L4. Through comparison of selected ion chronograms our results indicate that Au2(L4)2H+ may be an intermediate in the formation of Au8(L4)42+and Au10(L4)52+ while a variety of chlorinated clusters are involved in the formation of Au9(L4)4H2+. Additionally, high-resolution mass spectrometry was employed to identify 53 gold containing species produced under highly oxidative conditions. New intermediate species are identified which help understand how different gold cluster nuclearities can be stabilized during the growth process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Chlorine oxide in the stratospheric ozone layer Ground-based detection and measurement

Stratospheric chlorine oxide, a significant intermediate product in the catalytic destruction of ozone by atomic chlorine, has been detected and measured by a ground-based 204 GHz, millimeter-wave receiver. Data taken at latitude 42 deg N on 17 days between January 10 and February 18, 1980 yield an average chlorine oxide column density of approximately 1.05 x 10 to the 14th/sq cm or approximately 2/3 that of the average of eight in situ balloon flight measurements (excluding the anomalously high data of July 14, 1977) made over the past four years at 32 deg N. Less chlorine oxide below 35 km and a larger vertical gradient than predicted by theoretical models of the stratospheric ozone layer are found.

Parrish, A.↗
DOE OSTI2021

Produced water softening using high-pH catholyte from brine electrolysis: reducing chemical transportation and environmental footprints

This study evaluates the benefits of using brine electrolysis for generating caustic soda (NaOH) and free chlorine for on-site produced water (PWs 1 ) treatment. A two-compartment electrochemical cell was shown to generate NaOH solutions (pH > 12, faradic efficiency 93%) and chlorine (faradic efficiency 32%) from a NaCl brine solution at a current density of 10 mA/cm2. The catholyte was used for softening field-collected PWs. The degree of Mg removal depends mostly on the catholyte/PW mixture pH with pH 11 achieving >90% removal. Ca removal is poor (<10%) due to low bicarbonate alkalinity in the PWs. Soda ash alone at a dose equivalent to the total hardness of the PWs helps CaCO3 precipitation and Ca removal (>90%). The combined treatment of the catholyte and a reduced quantity of soda ash achieves better or comparable Ca removal compared to the full stoichiometric amounts of soda ash alone. Ba and Sr removal patterns closely follow those of Ca, suggesting co-precipitation of these cations as the primary removal mechanism. Organic removal is negligible during chemical softening; however, activated carbon filtration achieves >90% of total organic carbon (TOC) removal in all PWs. A treatment scheme is proposed for field generation of caustic soda and chlorine from PW. The economic analysis demonstrates the significant cost-effectiveness of the approach compared to purchasing the NaOH.

42 ENGINEERING↗
DOE OSTI2018

Dynamics of Charge Transfer and Multiple Exciton Generation in the Doped Silicon Quantum Dot–Carbon Nanotube System: Density Functional Theory-Based Computation

In this study, we use the Boltzmann transport equation (BE) to study time evolution of a photoexcited state, including phonon-mediated exciton relaxation, multiple exciton generation (MEG), and energy-transfer processes. BE collision integrals are derived using Kadanoff–Baym–Keldysh many-body perturbation theory (MBPT) based on density functional theory (DFT) simulations, including exciton effects. We apply the method to a nanostructured p–n junction composed of a 1 nm hydrogen-terminated Si quantum dot (QD) doped with two phosphorus atoms (Si 36 P 2 H 42 ) adjacent to the (6, 2) single-wall carbon nanotube (CNT) with two chlorine atoms per two unit cells adsorbed to the surface. We find that an initial excitation localized on either the QD or CNT evolves into a transient charge-transfer (CT) state where either electron or hole transfer has taken place. The CT state lifetime is about 40 fs. Also, we study MEG in this system by computing internal quantum efficiency (QE), which is the number of excitons generated from an absorbed photon during relaxation. We predict efficient MEG starting at 3E g ≃ 1.5 eV and with QE reaching QE = 1.65 at about 5E g , where E g ≃ 0.5 eV is the lowest exciton energy, i.e., the gap. However, we find that including energy transfer and MEG effects suppresses CT state generation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A better fate for PVC

Here, a critical component of plastics waste, polyvinyl chloride, is tough to recycle efficiently and sustainably owing to its high chlorine content. Now, research shows how to convert polyvinyl chloride mixed with polypropylene, at room temperature, into chlorine-free hydrocarbons.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Roughness generation during Si etching in Cl{sub 2} pulsed plasma

Pulsed plasmas are promising candidates to go beyond limitations of continuous waves' plasma. However, their interaction with surfaces remains poorly understood. The authors investigated the silicon etching mechanism in inductively coupled plasma (ICP) Cl{sub 2} operated either in an ICP-pulsed mode or in a bias-pulsed mode (in which only the bias power is pulsed). The authors observed systematically the development of an important surface roughness at a low duty cycle. By using plasma diagnostics, they show that the roughness is correlated to an anomalously large (Cl atoms flux)/(energetic ion flux) ratio in the pulsed mode. The rational is that the Cl atom flux is not modulated on the timescale of the plasma pulses although the ion fluxes and energy are modulated. As a result, a very strong surface chlorination occurs during the OFF period when the surface is not exposed to energetic ions. Therefore, each energetic ion in the ON period will bombard a heavily chlorinated silicon surface, leading to anomalously high etching yield. In the ICP pulsed mode (in which the ion energy is high), the authors report yields as high as 40, which mean that each individual ion impacts will generate a “crater” of about 2 nm depth at the surface. Since the ion flux is very small in the pulsed ICP mode, this process is stochastic and is responsible for the roughness initiation. The roughness expansion can then be attributed partly to the ion channeling effect and is probably enhanced by the formation of a SiClx reactive layer with nonhomogeneous thickness over the topography of the surface. This phenomenon could be a serious limitation of pulsed plasma processes.

42 ENGINEERING↗
DOE OSTI2016

Implementation of atomic layer etching of silicon: Scaling parameters, feasibility, and profile control

Atomic or layer by layer etching of silicon exploits temporally segregated self-limiting adsorption and material removal steps to mitigate the problems associated with continuous or quasicontinuous (pulsed) plasma processes: selectivity loss, damage, and profile control. Successful implementation of atomic layer etching requires careful choice of the plasma parameters for adsorption and desorption steps. This paper illustrates how process parameters can be arrived at through basic scaling exercises, modeling and simulation, and fundamental experimental tests of their predictions. Using chlorine and argon plasma in a radial line slot antenna plasma source as a platform, the authors illustrate how cycle time, ion energy, and radical to ion ratio can be manipulated to manage the deviation from ideality when cycle times are shortened or purges are incomplete. Cell based Monte Carlo feature scale modeling is used to illustrate profile outcomes. Experimental results of atomic layer etching processes are illustrated on silicon line and space structures such that iso-dense bias and aspect ratio dependent free profiles are produced. Experimental results also illustrate the profile control margin as processes move from atomic layer to multilayer by layer etching. The consequence of not controlling contamination (e.g., oxygen) is shown to result in deposition and roughness generation.

42 ENGINEERING↗
DOE OSTI2023

Pulsed laser induced atomic layer etching of silicon

Here, we demonstrate the laser mediated atomic layer etching (ALEt) of silicon. Using a nanosecond pulsed 266 nm laser focused loosely over and in a parallel configuration to the surface of the silicon, we dissociate Cl 2 gas to induce chlorination. Then, we use pulsed picosecond irradiation to remove the chlorinated layer. Subsequently, we perform continuous wave (CW) laser annealing to eliminate amorphization caused by the picosecond laser etching. Based on atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS), we observed strong evidence of chlorination and digital etching at 0.85 nm etching per cycle with good uniformity.

42 ENGINEERING↗
NASA NTRS1988

Measurements of odd nitrogen compounds in the stratosphere by the ATMOS experiment on Spacelab 3

Spacelab 3's Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment has obtained 30 deg N and 48 deg S vertical profiles of reservoir gases, source gases, and other trace molecules that are important in the middle atmosphere's odd nitrogen, odd chlorine, and odd hydrogen chemical families. The abundances of individual gases and total odd nitrogen levels measured by ATMOS have been compared with prior results obtained from balloon and satellite platforms. The lower-limit profile agrees with ATMOS data to within 16 percent up to 42 km altitude.

Russell, J. M., III↗
DOE OSTI2016

Uranium Adsorbent Fibers Prepared by Atom-Transfer Radical Polymerization (ATRP) from Poly(vinyl chloride)- co -chlorinated Poly(vinyl chloride) (PVC- co -CPVC) Fiber

The need to secure future supplies of energy attracts researchers in several countries to a vast resource of nuclear energy fuel: uranium in seawater (estimated at 4.5 billion tons in seawater). In this study, we developed effective adsorbent fibers for the recovery of uranium from seawater via atom-transfer radical polymerization (ATRP) from a poly- (vinyl chloride)-co-chlorinated poly(vinyl chloride) (PVC-co-CPVC) fiber. ATRP was employed in the surface graft polymerization of acrylonitrile (AN) and tert-butyl acrylate (tBA), precursors for uranium-interacting functional groups, from PVC-co-CPVC fiber. The [tBA]/[AN] was systematically varied to identify the optimal ratio between hydrophilic groups (from tBA) and uranyl-binding ligands (from AN). The best performing adsorbent fiber, the one with the optimal [tBA]/[AN] ratio and a high degree of grafting (1390%), demonstrated uranium adsorption capacities that are significantly greater than those of the Japan Atomic Energy Agency (JAEA) reference fiber in natural seawater tests (2.42-3.24 g/kg in 42 days of seawater exposure and 5.22 g/kg in 49 days of seawater exposure, versus 1.66 g/kg in 42 days of seawater exposure and 1.71 g/kg in 49 days of seawater exposure for JAEA). Adsorption of other metal ions from seawater and their corresponding kinetics were also studied. The grafting of alternative monomers for the recovery of uranium from seawater is now under development by this versatile technique of ATRP.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Investigating PID shunting in polycrystalline silicon modules via multiscale, multitechnique characterization

We investigated the potential-induced degradation (PID) shunting mechanism in multicrystalline-silicon photovoltaic modules by using a multiscale, multitechnique characterization approach. Both field-stressed modules and laboratory-stressed mini modules were studied. We used photoluminescence, electroluminescence, and dark lock-in thermography imaging to identify degraded areas at the module scale. Small samples were then removed from degraded areas, laser marked, and imaged by scanning electron microscopy. We used simultaneous electron-beam induced current imaging and focused ion beam milling to mark around PID shunts for chemical analysis by time-of-flight secondary-ion mass spectrometry or to isolate individual shunt defects for transmission electron microscopy and atom-probe tomography analysis. By spanning a range of 10 orders of magnitude in size, this approach enabled us to investigate the root-cause mechanisms for PID shunting. We observed a direct correlation between recombination active shunts and sodium content. The sodium content in shunted areas peaks at the SiNX/Si interface and is consistently observed at a concentration of 0.1% to 2% in shunted areas. Analysis of samples subjected to PID recovery, either activated by electron beam or thermal effects only, reveals that recovery of isolated shunts correlates with diffusion of sodium out of the structural defects to the silicon surface. We observed the role of oxygen and chlorine in PID shunting and found that those species - although sometimes present in structural defects where PID shunting was observed - do not play a consistent role in PID shunting.

14 SOLAR ENERGY↗