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At least 127 records · Page 7

Quantum filter of spin polarized states: Metal–dielectric–ferromagnetic/semiconductor device

Highlights: • Development of a new spintronics device. • Development of quantum spin polarized filters. • Development of theory of quantum spin polarized filter. - Abstract: Recently we proposed a model for the Quantum Spin-Polarized State Filter (QSPSF). The magnetic moments are transported selectively in this model, detached from the electric charge carriers. Thus, transfer of a spin-polarized state between two conductors was predicted in a system of two levels coupled by exchange interaction. The strength of the exchange interaction between the two conductive layers depends on the thickness of the dielectric layer separating them. External magnetic fields modulate spin-polarized state transfer, due to Zeeman level shift. Therefore, a linearly growing magnetic field generates a series of current peaks in a nearby coil. Thus, our spin-state filter should contain as least three nanolayers: (1) conductive or ferromagnetic; (2) dielectric; and (3) conductive or semiconductive. The spectrum of spin-polarized states generated by the filter device consists of a series of resonance peaks. In a simple case the number of lines equals S, the total spin angular momentum of discrete states in one of the coupled nanolayers. Presently we report spin-polarized state transport in metal–dielectric–ferromagnetic (MDF) and metal–dielectric–semiconductor (MDS) three-layer sandwich devices. The exchange-resonance spectra in such devices are quite specific, differing also from spectra observed earlier in other three-layer devices. The theoretical model is used to interpret the available experimental results. A detailed ab initio analysis of the magnetic-field dependence of the output magnetic moment averaged over the surface of the device was carried out. The model predicts the resonance structure of the signal, although at its present accuracy it cannot predict the positions of the spectral peaks.

36 MATERIALS SCIENCE↗

Reduced Dislocation Introduction in III–V/Si Heterostructures with Glide-Enhancing Compressively Strained Superlattices

The novel use of a GaAs y P 1-y /GaP compressively-strained superlattice (CSS) to provide enhanced control over misfit dislocation (MD) evolution and threading dislocation density (TDD) during GaP/Si metamorphic heteroepitaxy is demonstrated. Here, the insertion of the CSS just after critical thickness, and thus prior to substantial dislocation introduction, is found to yield significantly reduced TDD in relaxed, 500 nm thick, n-type GaP/Si versus comparable control samples. The impact of CSS period count on average TDD and the overall dislocation network morphology was examined, supported by quantitative microstructural characterization, revealing a nearly 20× relative TDD reduction (to 2.4 ± 0.4×10 6 cm -2 ) with a 3-period CSS structure. A similarly low TDD (3.0 ± 0.6×10 6 cm -2 ) is maintained when the resultant n-GaP/Si virtual substrate is used for the growth of a subsequent n-type GaAs 0.75 P 0.25 -terminal GaAs y P 1-y step-graded metamorphic buffer. Although the physical mechanism for TDD reduction provided by these structures is not yet entirely understood, this initial work suggests that enhanced glide dynamics of MDs at or within the CSS placed early in the growth leads to a reduction in the total number of dislocations introduced overall, as opposed to annihilation-based reduction that occurs in conventional strained-layer superlattice dislocation filter approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Attachment, Coalescence, and Spreading of Carbon Dioxide Nanobubbles at Pyrite Surfaces

Recently it was reported that using CO 2 as a flotation gas increases the flotation of auriferous pyrite from high carbonate gold ores of the Carlin Trend. In this regard, the influence of CO 2 on bubble attachment at fresh pyrite surfaces was measured in the absence of collector using an induction timer, and it was found that nitrogen bubble attachment time was significantly reduced from 30 ms to less than 10 ms in CO 2 saturated solutions. Details of CO 2 bubble attachment at a fresh pyrite surface have been examined by AFM measurements and MD simulations, and the results used to describe the subsequent attachment of an N 2 bubble. As found from MD simulations, unlike the attached N 2 bubble, which is stable and has a contact angle of about 90 degrees, the CO 2 bubble attaches, and spreads, wetting the fresh pyrite surface and forming a multi-layer of CO 2 molecules, corresponding to a contact angle of almost 180 degrees. These MDS results are complemented by in-situ AFM images, which show that after attachment, CO 2 nano/micro bubbles spread to form pancake bubbles at the fresh pyrite surface. In summary, it seems that CO 2 bubbles have a propensity to spread, and whether CO 2 exists as layers of CO 2 molecules or as pancake nano/micro bubbles, their presence at the fresh pyrite surface subsequently facilitates film rupture and attachment of millimeter N 2 bubbles, and in this way, improves the flotation of pyrite. The U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, funded the work performed by L.X.D.

Vaziri Hassas, Behzad↗

Strain relaxation of thick (11–22) semipolar InGaN layer for long wavelength nitride-based device

In this study, the properties of thick stress-relaxed (11–22) semipolar InGaN layers were investigated. Owing to the inclination of growth orientation, misfit dislocations (MDs) occurred at the heterointerface when the strain state of the (11–22) semipolar InGaN layers reached the critical point. We found that unlike InGaN layers based on polar and nonpolar growth orientations, the surface morphologies of the stress-relaxed (11–22) semipolar InGaN layers did not differ from each other and were similar to the morphology of the underlying GaN layer. In addition, misfit strain across the whole InGaN layer was gradually relaxed by MD formation at the heterointerface. To minimize the effect of surface roughness and defects in GaN layers on the InGaN layer, we conducted further investigation on a thick (11–22) semipolar InGaN layer grown on an epitaxial lateral overgrown GaN template. We found that the lateral indium composition across the whole stress-relaxed InGaN layer was almost uniform. Therefore, thick stress-relaxed (11–22) semipolar InGaN layers are suitable candidates for use as underlying layers in long-wavelength devices, as they can be used to control strain accumulation in the heterostructure active region without additional influence of surface roughness.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dynamic characterization of crystalline and glass phases of deuterated 1,1,2,2 tetrachloroethane

A thorough characterization of the γ, β, and glass phases of deuterated 1,1,2,2 tetrachloroethane (C{sub 2}D{sub 2}Cl{sub 4}) via nuclear quadrupole resonance and Molecular Dynamic Simulations (MDSs) is reported. The presence of molecular reorientations was experimentally observed in the glass phase and in the β phase. In the β phase, and from MDS, these reorientations are attributed to two possible movements, i.e., a 180° reorientation around the C{sub 2} molecular symmetry axis and a reorientation of the molecule between two non-equivalent positions. In the glass phase, the spin-lattice relaxation time T{sub 1} is of the order of 16 times lower than in the crystalline phase and varies as T{sup −1} below 100 K in good agreement with the strong quadrupolar relaxation observed in amorphous materials and in the glassy state of molecular organic systems. The activation energy of molecular reorientations in the glass phase (19 kJ/mol) is comparable to that observed in the glassy crystal of a “molecular cousin” compound, Freon 112 (C{sub 2}F{sub 2}Cl{sub 4}), for the secondary β-relaxation. Moreover, the on-site orientational motion of tetrachloroethane molecules offers a new indirect evidence of the prominent role of such orientational disorder in glassy dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Molecular dynamics and simulations study on the vibrational and electronic solvatochromism of benzophenone

Solvent plays a key role in diverse physico-chemical and biological processes. Therefore, understanding solute-solvent interactions at the molecular level of detail is of utmost importance. A comprehensive solvatochromic analysis of benzophenone (Bzp) was carried out in various solvents using Raman and electronic spectroscopy, in conjunction with Density Functional Theory (DFT) calculations of supramolecular solute-solvent clusters generated using classical Molecular Dynamics Simulations (c-MDSs). The >C=O stretching frequency undergoes a bathochromic shift with solvent polarity. Interestingly, in protic solvents this peak appears as a doublet: c-MDS and ad hoc explicit solvent ab initio calculations suggest that the lower and higher frequency peaks are associated with the hydrogen bonded and dangling carbonyl group of Bzp, respectively. Additionally, the dangling carbonyl in methanol (MeOH) solvent is 4 cm{sup −1} blue-shifted relative to acetonitrile solvent, despite their similar dipolarity/polarizability. This suggests that the cybotactic region of the dangling carbonyl group in MeOH is very different from its bulk solvent structure. Therefore, we propose that this blue-shift of the dangling carbonyl originates in the hydrophobic solvation shell around it resulting from extended hydrogen bonding network of the protic solvents. Furthermore, the 1{sup 1}nπ{sup ∗} (band I) and 1{sup 1}ππ{sup ∗} (band II) electronic transitions show a hypsochromic and bathochromic shift, respectively. In particular, these shifts in protic solvents are due to differences in their excited state-hydrogen bonding mechanisms. Additionally, a linear relationship is obtained for band I and the >C=O stretching frequency (cm{sup −1}), which suggests that the different excitation wavelengths in band I correspond to different solvation states. Therefore, we hypothesize that the variation in excitation wavelengths in band I could arise from different solvation states leading to varying solvation dynamics. This will have implications for ultrafast processes associated with electron-transfer, charge transfer, and also the photophysical aspects of excited states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advances in Low-Temperature Tungsten Spectroscopy Capability to Quantify DIII-D Divertor Erosion

Recent emphasis of tungsten (W) plasma-materialsinteractions (PMI) experiments on DIII-D has made it essential to enhance the W I and W II measurement capabilities of its spectroscopy diagnostic suite to acquire W sourcing measurements with high temporal, spatial, and wavelength resolution. To this end, four new viewing chords for the Multichordal Divertor Spectrometer (MDS) and diverter filterscope systems were installed, leading to a 7x increase in blue light sensitivity. W I and low-Z impurity line identifications were performed in the 3995-4030 Å region, placing wavelengths within 0.1 Å of the NIST values. A novel method was also developed for the DIII-D high temporal resolution filterscopes to distinguish between W I light and background contamination, important due to the relatively weak intensity of this line, using two different bandpass filters width different widths but the same center wavelength. Lastly, fast imaging of the W I 4008.75 Å spectral line with a PCO Pixelfly VGA 200/205 camera allowed for discrimination between ELMy and intra-ELM W I emission profiles with very high (~1 mm) spatial resolution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Activities ONDRAF/NIRAS related to the decommissioning of nuclear facilities

Since 1980, the Agency is responsible by law for the safe management of all radioactive waste produced in Belgium, including decommissioning wastes. By the law of 11 January 1991 and the implementing Royal Decree of 16/10/1991, ONDRAF/NIRAS has been entrusted with a mission concerning the decommissioning of nuclear facilities. This mission involves the collection and assessment of data concerning decommissioning forecasts for nuclear facilities, the approval of facilities' decommissioning programmes, the establishment - in consultation with operators - of financing conditions for decommissioning, as well as the implementation of these programmes on request by the operator, or in the case of its failure to do so. This is the case for the company Best Medical Belgium SA located at Fleurus (MDS Nordion SA, till April 2011), which produced radioisotopes for medical applications and went bankrupt in 2012. These installations have been entrusted to ONDRAF/NIRAS. A plan of action was developed for taking over the operations in the framework of remediation and decommissioning. Steps have been taken to integrate his new role as a nuclear operator. The installations of Best Medical Belgium SA are now referred to as the 'O/N - Site Fleurus.' Nuclear facility operators, or any person requesting to operate a nuclear facility, are obliged to provide ONDRAF/NIRAS, under their responsibility and in due time, with all the necessary information concerning these facilities' decommissioning forecasts, the nature, quantities and dates of transfer of the resulting waste, and the financing conditions for these facilities' decommissioning. In order to make the necessary funds available for decommissioning a nuclear facility when it will be shut down, operators are obliged to establish provisions during the facility's active life. These provisions are calculated in such a way that the total amount established at the time of the final shutdown covers all costs resulting from the facility's final phase, namely the preparation of decommissioning, decontamination, more or less long-term maintenance, dismantling, treatment, conditioning and disposal of waste produced during this phase. In order to face to multiple and repeated evaluation processes, the Agency, already in the early 90's, started with the implementation of its own integrated data processing system, recording the physical and radiological inventories of nuclear facilities, and allowing the evaluation of the quantities of decommissioning materials and wastes as well as of the decommissioning costs of these facilities. The cost evaluations cover all decommissioning activities from final shutdown of the facility until final release from nuclear control, as well as conventional demolition and site restoration if required. Beside the information related to the inventories, the database involves so called auxiliary tables integrating unit prices of the various decontamination and dismantling techniques, unit rates for radioactive waste processing, interim storage and final disposal. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Experimental determination of the PTW 60019 microDiamond dosimeter active area and volume

Purpose: Small field output correction factors have been studied by several research groups for the PTW 60019 microDiamond (MD) dosimeter, by comparing the response of such a device with both reference dosimeters and Monte Carlo simulations. A general good agreement is observed for field sizes down to about 1 cm. However, evident inconsistencies can be noticed when comparing some experimental results and Monte Carlo simulations obtained for smaller irradiation fields. This issue was tentatively attributed by some authors to unintentional large variations of the MD active surface area. The aim of the present study is a nondestructive experimental determination of the MD active surface area and active volume. Methods: Ten MD dosimeters, one MD prototype, and three synthetic diamond samples were investigated in the present work. 2D maps of the MD response were recorded under scanned soft x-ray microbeam irradiation, leading to an experimental determination of the device active surface area. Profiles of the device responses were measured as well. In order to evaluate the MD active volume, the thickness of the diamond sensing layer was independently evaluated by capacitance measurements and alpha particle detection experiments. The MD sensitivity, measured at the PTW calibration laboratory, was also used to calculate the device active volume thickness. Results: An average active surface area diameter of (2.19 ± 0.02) mm was evaluated by 2D maps and response profiles of all the MDs. Average active volume thicknesses of (1.01 ± 0.13) μm and (0.97 ± 0.14) μm were derived by capacitance and sensitivity measurements, respectively. The obtained results are well in agreement with the nominal values reported in the manufacturer dosimeter specifications. A homogeneous response was observed over the whole device active area. Besides the one from the device active volume, no contributions from other components of the housing nor from encapsulation materials were observed in the 2D response maps. Conclusions: The obtained results demonstrate the high reproducibility of the MD fabrication process. The observed discrepancies among the output correction factors reported by several authors for MD response in very small fields are very unlikely to be ascribed to unintentional variations of the device active surface area and volume. It is the opinion of the authors that the role of the volume averaging as well as of other perturbation effects should be separately investigated instead, both experimentally and by Monte Carlo simulations, in order to better clarify the behaviour of the MD response in very small fields.

60 APPLIED LIFE SCIENCES↗

Transcriptome divergence during leaf development in two contrasting switchgrass (Panicum virgatum L.) cultivars

The genetics and responses to biotic stressors of tetraploid switchgrass (Panicum virgatum L.) lowland cultivar ‘Kanlow’ and upland cultivar Summer are distinct and can be exploited for trait improvement. In general, there is a paucity of data on the basal differences in transcription across tissue developmental times for switchgrass cultivars. Here, the changes in basal and temporal expression of genes related to leaf functions were evaluated for greenhouse grown ‘Kanlow’, and ‘Summer’ plants. Three biological replicates of the 4 th leaf pooled from 15 plants per replicate were harvested at regular intervals beginning from leaf emergence through senescence. Increases and decreases in leaf chlorophyll and N content were similar for both cultivars. Likewise, multidimensional scaling (MDS) analysis indicated both cultivar-independent and cultivar-specific gene expression. Cultivar-independent genes and gene-networks included those associated with leaf function, such as growth/senescence, carbon/nitrogen assimilation, photosynthesis, chlorophyll biosynthesis, and chlorophyll degradation. However, many genes encoding nucleotide-binding leucine rich repeat (NB-LRRs) proteins and wall-bound kinases associated with detecting and responding to environmental signals were differentially expressed. Several of these belonged to unique cultivar-specific gene co-expression networks. Analysis of genomic resequencing data provided several examples of NB-LRRs genes that were not expressed and/or apparently absent in the genomes of Summer plants. It is plausible that cultivar (ecotype)-specific genes and gene-networks could be one of the drivers for the documented differences in responses to leaf-borne pathogens between these two cultivars. Incorporating broad resistance to plant pathogens in elite switchgrass germplasm could improve sustainability of biomass production under low-input conditions.

59 BASIC BIOLOGICAL SCIENCES↗

Erosion-Resistant Nanocoatings for Improved Energy Efficiency in Gas Turbines

The objective of this Stage Gate IV project was to test and substantiate the viability of an erosion-resistant nanocoating for application on compressor airfoils for gas turbines in both industrial power generation and commercial aviation applications. To effectively complete this project, the National Energy Technology Laboratory’s Office of Research & Development teamed with MDS Coating Technologies Inc. (MCT), Delta Air Lines - Technical Operations Division (Delta Tech Ops), and Calpine Corporation. The coating targeted for this application was MCT’s Next Generation Coating, version 4 (NGC-v4 - with the new registered trademark name of BlackGold®). The coating is an erosion and corrosion resistant composite nanostructured coating. This coating is comprised of a proprietary ceramic-metallic nano-composite construction which provides enhanced erosion resistance and also retains the aerodynamic geometry of the airfoils. The objective of the commercial aviation portion of the project was to substantiate the coating properties to allow certification from the FAA to apply an erosion-resistant coating in a commercial aviation engine. The goal of the series of tests was to demonstrate that the durability of the airfoils is not affected negatively with the application of the NGC v4 coating. Tests included erosion, corrosion, vibration and fatigue. The results of the testing demonstrated that the application of the coating did not negatively impact the properties of the blades, especially fatigue performance – which is of importance in acceptance for commercial aviation applications. The objective of the industrial gas turbine element of the project was to evaluate the coating as an enabling technology for inlet fogging during the operation of industrial gas turbines. Fluid erosion laboratory scale tests were conducted to simulate inlet fogging conditions. Results of these tests indicated that the application of the erosion resistant NGC-v4 nanocoating improved the resistance to simulated inlet fogging conditions by a factor of 10 times. These results gave confidence for a field trial at Calpine’s power plant in Corpus Christi, TX, which commenced in April 2012. This test is still on-going as of November 2013, and the nanocoated blades have accumulated over 13,000 operational hours on this specific power plant in approximately 19 months of operation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Employment Effects of Hydrogen and Fuel Cells: Phase 1 Report, Fuel Cell Electric Vehicles

This report describes employment impacts associated with the manufacture, distribution and sale (MDS) of light-duty fuel cell electric vehicles (FCEVs) under a mid-range scenario of market development and uptake. Termed “gross” employment, these estimates include direct and indirect, full-time and part-time jobs associated with manufacturing, distributing and selling FCEVs, but not the consequent reduction in employment resulting from reduced demand for conventional vehicles (i.e., displaced employment). The latter estimates are included in a forthcoming technical memorandum documenting Phase 2 of this study.

08 HYDROGEN↗

Developing Ion Mobility-Mass Spectrometry for Structural Characterization of Complex Molecular Systems, Final Report/Product Number: DOE_ER-15520-3

We have worked on developing the utility for analytical and fundamental studies in the area of ion mobility-mass spectrometry (IM-MS), including integrating enhanced molecular dynamics simulations (MDS) with IM-MS. We have continued development of cryogenic (80 K) IM-MS, which affords novel investigations of ionic water clusters and hydrated polar molecule ions. In the course ofthese studies we have provided new insights on the mechanism of electrospray ionization as well as how droplet dehydration influences the structure(s) of hydrated protons and hydronium ions, specifically how the structure(s) of the hydrated species change with the extent of hydration. We have also shown how hydration affects the structure(s) of hydrated polar molecules. A perspective on this work has just been published in Accounts of Chemical Research ; all such papers are by invitation from the Editor. We have also developed new IM-MS approaches to deconvolution of complex tandem MS spectra and we have demonstrated the utility of these approaches through several collaborations with other groups that amply illustrate the broader impact of the research. This work clearly illustrates that IM-MS is rapidly evolving as one of the most versatile and information-rich mass spectrometry-based analytical techniques. In many of the challenging areas of 21st century chemical research, the need for rapid, high-throughput, ultra-high sensitivity analytical techniques continues to grow. Tremendous gains have been made over the past two decades, much of it driven by the so-called “omics” research areas that were spawned by the human genome project. Such experimental capabilities are now spilling over into diverse areas including catalysis and nano-catalysis, polymer/materials science, petroleomics, esp. bio-mass/biofuels and renewable energy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ExaSGD: 2022 Kernel Thrust Activities

The Kernel Thrust milestone ADSE22-407 covers the development of device-capable optimization algorithms and solvers technologies required by the ExaSGD project’s software stack in order to solve security-constrained alternating current optimal power flow (SC-ACOPF) problems on emerging exascale architectures. To this extent, in FY22 the main objective of the Kernel Thrust was (i) provide sparse optimization solver that runs efficiently on hardware accelerator devices (i.e., NVIDIA and AMD GPUs) to perform intra-node computations, (ii) strengthen the reliability and increase the performance of the mixed-dense sparse (MDS) solver of HiOp for deployment on the FY22 target architectures, Summit and Crusher, and (iii) increase performance by improving the mathematical algorithm and refining the parallel MPI-based implementation of the coarse-grain parallel solver HiOp-PriDec for capabilities deployment on the FY22 target architectures, Summit and Crusher. This document presents the developments and contributions done by the Kernels Thrust Team in FY22 toward completion of the above-mentioned objectives. These contributions progressed along four main development (sub)thrusts: (1) Design and implementation of a sparse optimization solver for use on hardware accelerators; (2) Improvement of the mathematical algorithm and of the parallel implementation of HiOp-PriDec to ensure readiness and efficient coarse-grain parallelism for FY23 target exascale machine; and (3) Support Software and Application Development Thrusts of the exaSGD project in their deployment of the project’s software stack on AMD- and NVIDIA-based architectures. The development of the sparse optimization solver (thrust 1 above) was new in FY22 and resulted in a new sparse solver in HiOp (available as of version 0.6). The second development thrust was a continuation of the efforts from FY21 and improved the mathematical algorithm and the communication strategy of the HiOp-PriDec solver. The last developement thrust is a large collaborative effort. Namely, the project’s teams from multiple labs (LLNL, PNNL, ORNL, and NREL) performed large-scale demonstration of the ExaSGD software stack, namely the optimization solvers of HiOp interfaced with the modeling front-end ExaGO and the stochastic sampler PowerScenarios. These demonstration efforts solved large-scale instances of the SC-ACOPF challenge problem of medium network sizes (10, 000-bus system) and large number of contingencies on Summit (NVIDIA accelerators) and Crusher (AMD accelerators) systems at ORNL.

97 MATHEMATICS AND COMPUTING↗

Uncertainty Quantification in CO2 Trapping Mechanisms: A Case Study of PUNQ-S3 Reservoir Model Using Representative Geological Realizations and Unsupervised Machine Learning

Evaluating uncertainty in CO2 injection projections often requires numerous high-resolution geological realizations (GRs) which, although effective, are computationally demanding. This study proposes the use of representative geological realizations (RGRs) as an efficient approach to capture the uncertainty range of the full set while reducing computational costs. A predetermined number of RGRs is selected using an integrated unsupervised machine learning (UML) framework, which includes Euclidean distance measurement, multidimensional scaling (MDS), and a deterministic K-means (DK-means) clustering algorithm. In the context of the intricate 3D aquifer CO2 storage model, PUNQ-S3, these algorithms are utilized. The UML methodology selects five RGRs from a pool of 25 possibilities (20% of the total), taking into account the reservoir quality index (RQI) as a static parameter of the reservoir. To determine the credibility of these RGRs, their simulation results are scrutinized through the application of the Kolmogorov–Smirnov (KS) test, which analyzes the distribution of the output. In this assessment, 40 CO2 injection wells cover the entire reservoir alongside the full set. The end-point simulation results indicate that the CO2 structural, residual, and solubility trapping within the RGRs and full set follow the same distribution. Simulating five RGRs alongside the full set of 25 GRs over 200 years, involving 10 years of CO2 injection, reveals consistently similar trapping distribution patterns, with an average value of Dmax of 0.21 remaining lower than Dcritical (0.66). Using this methodology, computational expenses related to scenario testing and development planning for CO2 storage reservoirs in the presence of geological uncertainties can be substantially reduced.

Mahjour, Seyed Kourosh↗

Comparative Energetics of Various Membrane Distillation Configurations and Guidelines for Design and Operation

This paper presents a comparative performance study of single-stage desalination processes with major configurations of membrane distillation (MD) modules. MD modules covered in this study are (a) direct contact MD (DCMD), (b) vacuum MD (VMD), (c) sweeping gas MD (SGMD), and (d) air gap MD (AGMD). MD-based desalination processes are simulated with rigorous theoretical MD models supported by molecular thermodynamic property models for the accurate calculation of performance metrics. The performance metrics considered in MD systems are permeate flux and energy efficiency, i.e., gained output ratio (GOR). A general criterion is established to determine the critical length of these four MDs (at fixed width) for the feasible operation of desalination in a wide range of feed salinities. The length of DCMD and VMD is restricted by the feed salinity and permeate flux, respectively, while relatively large AGMD and SGMD are allowed. The sensitivity of GOR flux with respect to permeate conditions is investigated for different MD configurations. AGMD outperforms other configurations in terms of energy efficiency, while VMD reveals the highest permeate production. With larger MD modules, utilization of thermal energy supplied by the hot feed for evaporation is in the order of VMD > AGMD > SGMD > DCMD. Simulation results highlight that energy efficiency of the overall desalination process relies on the efficient recovery of spent for evaporation, suggesting potential improvement in energy efficiency for VMD-based desalination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The GALEX time domain survey. II. Wavelength-dependent variability of active galactic nuclei in the PAN-STARRS1 medium deep survey

We analyze the wavelength-dependent variability of a sample of spectroscopically confirmed active galactic nuclei selected from near-UV (NUV) variable sources in the GALEX Time Domain Survey that have a large amplitude of optical variability (difference-flux S/N > 3) in the Pan-STARRS1 Medium Deep Survey (PS1 MDS). By matching GALEX and PS1 epochs in five bands (NUV, g {sub P1}, r {sub P1}, i {sub P1}, z {sub P1}) in time, and taking their flux difference, we create co-temporal difference-flux spectral energy distributions (ΔfSEDs) using two chosen epochs for each of the 23 objects in our sample, on timescales of about a year. We confirm the “bluer-when-brighter” trend reported in previous studies, and measure a median spectral index of the ΔfSEDs of α{sub λ} = 2.1 that is consistent with an accretion disk spectrum. We further fit the ΔfSEDs of each source with a standard accretion disk model in which the accretion rate changes from one epoch to the other. In our sample, 17 out of 23 (∼74%) sources are described well by this variable accretion-rate disk model, with a median average characteristic disk temperature T-bar ∗ of 1.2×10{sup 5} K that is consistent with the temperatures expected, given the distribution of accretion rates and black hole masses inferred for the sample. Our analysis also shows that the variable accretion rate model is a better fit to the ΔfSEDs than a simple power law.

79 ASTRONOMY AND ASTROPHYSICS↗

MDSplus Yesterday, Today and Tomorrow

MDSplus is a data acquisition and analysis system used worldwide predominantly in the fusion research community. Development began 31 years ago by a collaboration of software developers who were charged with providing a data acquisition system for three new fusion experiments under construction: CMOD at MIT, ZTH at LANL and RFX at Padova, Italy. The design of MDSplus combined the functionality of MDS (MIT/Model Data System developed at MIT for the Alcator and Tara fusion experiments) with new features suggested by the developers from the other laboratories. The development of MDSplus used a RAD (rapid application development) approach before RAD became a mainstream methodology. MDSplus was implemented and ready for the initial operation of CMOD in 1991. Since that time, many other fusion facilities started using MDSplus for data acquisition and/or for exporting their data to other sites. Today MDSplus is still used around the world for fusion energy research, space exploration and other fields of science and technology. Work on MDSplus continues to enhance its capabilities, support more platforms, and improve its reliability. It is anticipated that MDSplus will continue to provide valuable tools for the fusion energy research community. This paper describes some of the history of the MDSplus software, the work that is currently underway, and the plans to enable MDSplus to continue to be available and supported long into the future.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗