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At least 1,423 records · Page 79

Range-wide population assessments for subalpine fir indicate widespread disturbance-driven decline

Subalpine forests in western North America are threatened by rapid climate change, increased activity by endemic and exotic insects and diseases, and changing wildfire regimes. The interactive effects of these stressors have resulted in pronounced population declines in many subalpine tree species; however, a systematic assessment of the status and trends of subalpine forests is lacking. Subalpine fir (Abies lasiocarpa) is a widespread species across the western United States, with documented population declines in many parts of its distribution. Here we use subalpine fir as an initial leverage point to build a more complete understanding of subalpine forest baseline conditions and responses to environmental change. Specifically, we leverage the USDA Forest Service Forest Inventory and Analysis (FIA) database to (1) ask how subalpine fir populations are changing across the species’ distribution in the western US, (2) assess the drivers of recent subalpine fir population trends, and (3) explore whether those changes imply generalized species-wide and/or system-wide decline. We found that subalpine fir abundance and basal area are declining concurrently across ~ 62% of the species’ distribution, and increasing across ~ 19%. Range-wide, we estimated 25.02 ± 2.74 % subalpine fir mortality between 2000 and 2009 and 2010–2019 FIA inventory periods, with higher mortality concentrated in the eastern Oregon Cascades, central Idaho, and parts of southern Colorado. High regeneration density did not predict positive population trajectories, which were instead associated with higher rates of adult recruitment. While the importance of different mortality agents varied substantially between ecoregions, 83.4% of total range-wide mortality was related to fire or biological disturbance. Declining subalpine fir basal area coincided with declines in the basal area of other co-occurring tree species in 39% of subalpine forest area, and with increases in conspecific basal area in 22% of forest area. Fire disturbance was the single largest cause of subalpine fir mortality; however, even where subalpine fir fire mortality was high, mortality among other species was primarily caused by insects. In conclusion, our results suggest that subalpine fir declines across large portions of the western United States are driven by forest disturbance, and that declines in subalpine fir populations may be indicative of negative change in subalpine forest systems broadly.

54 ENVIRONMENTAL SCIENCES↗

Influence of interfacial responses of Berea Sandstone in low-salinity waterflooding environments

Wetting conditions and fluid-fluid interfacial properties are essential to understanding oil recovery in the context of low-salinity and smart waterflooding. Many have deemed wettability alteration to be the dominant interaction, while some highlight the importance of fluid-fluid interactions. In some rock-fluid systems, benefits from the use of additives can arise to favor hydrocarbon production. Understanding the balance between the fluid-fluid and rock-fluid interactions when utilizing additives is crucial to evaluate benefits in improved efficiency. Ultimately, this understanding will shed light on recovery mechanisms. Regarding oil recovery, previous studies indicate that the injection of a naphthenic acid (NA) blend dissolved in an injection brine improves oil recovery in Berea Sandstone, particularly under low-salinity conditions. Interfacial rheology results for the brine-oil interface correlated well with the recovery response. This observation was speculated to serve as a potential improved recovery mechanism through oil-trapping suppression. However, the said studies did not evaluate potentially concurrent rock wettability alteration during recovery or the initial wetting condition. The purpose of this work is to determine the production behavior in systems with NAs, namely NA-10 (3-Cyclohexanepropinoic acid), NA-14 (Cyclopentane carboxylic acid), NA-18 (Cyclohexane carboxylic acid), and NA-mix (Naphthenic acid mixture), at different initial wetting conditions under spontaneous imbibition. In addition, we tested the NAs ability to alter wettability in Berea Sandstone and determine each “additive’s” capacity to improve recovery. Here, time-domain nuclear magnetic resonance (TD-NMR), contact angle, and Amott cell tests, i.e. spontaneous imbibition, were used to analyze the influence of the selected naphthenic acids on oil displacement under different initial wetting conditions. Our results indicate that individual naphthenic acids indeed have potential as additives in low-salinity waterflooding for oil-wet systems while negatively impacting recovery in water-wet systems. However, results suggest that the evolution of the interfacial properties and wettability conditions are equally important on the recovery behavior.

54 ENVIRONMENTAL SCIENCES↗

Presence and distribution of insect-associated and entomopathogenic fungi in a temperate pine forest soil: An integrated approach

For decades entomopathogenic fungi have garnered interest as possible alternatives to chemical pesticides. However, their ecology outside of agroecosystems demands further study. We assessed the diversity and abundance of entomopathogenic and insect-associated fungi at a loblolly pine forest in North Carolina, USA using culture-dependent and next-generation sequencing libraries. Fungi were isolated using Galleria mellonella larvae, as well as from soil dilutions plated on a selective medium. Isolates were identified using Sanger sequencing of the ITS and LSU rRNA gene regions, and represented 36 OTUs including Metarhizium, Lecanicillium, and Paecilomyces . Additionally, we assessed the chitinolytic potential of isolates and found widespread, variable ability to degrade chitin within and between genera. Phylogenetic analyses resolved several isolates to genus, with some forming clades with other insect-associated taxa, as well as with fungi associated with plant tissues. Saprophytes were widely distributed in soil, while entomopathogens were less abundant and present primarily in the top two cm of the soil. Furthermore, the similarity between culture-dependent and next-generation sequencing results demonstrates that both methods can be used concurrently in this system to study the ecology of entomopathogenic fungi.

59 BASIC BIOLOGICAL SCIENCES↗

NSTX-U Control System Upgrades

The National Spherical Tokamak Experiment (NSTX) is undergoing a wealth of upgrades (NSTX-U). These upgrades, especially including an elongated pulse length, require broad changes to the control system that has served NSTX well. A new fiber serial Front Panel Data Port input and output (I/O) stream will supersede the aging copper parallel version. Driver support for the new I/O and cyber security concerns require updating the operating system from Redhat Enterprise Linux (RHEL) v4 to RedHawk (based on RHEL) v6. While the basic control system continues to use the General Atomics Plasma Control System (GA PCS), the effort to forward port the entire software package to run under 64-bit Linux instead of 32-bit Linux included PCS modifications subsequently shared with GA and other PCS users. Software updates focused on three key areas: (1) code modernization through coding standards (C99/C11), (2) code portability and maintainability through use of the GA PCS code generator, and (3) support of 64-bit platforms. Central to the control system upgrade is the use of a complete real time (RT) Linux platform provided by Concurrent Computer Corporation, consisting of a computer (iHawk), an operating system and drivers (RedHawk), and RT tools (NightStar). Strong vendor support coupled with an extensive RT toolset influenced this decision. The new real-time Linux platform, I/O, and software engineering will foster enhanced capability and performance for NSTX-U plasma control.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Scaling To A Million Cores And Beyond: Using Light-Weight Simulation to Understand The Challenges Ahead On The Road To Exascale

As supercomputers scale to 1,000 PFlop/s over the next decade, investigating the performance of parallel applications at scale on future architectures and the performance impact of different architecture choices for high-performance computing (HPC) hardware/software co-design is crucial. This paper summarizes recent efforts in designing and implementing a novel HPC hardware/software co-design toolkit. The presented Extreme-scale Simulator (xSim) permits running an HPC application in a controlled environment with millions of concurrent execution threads while observing its performance in a simulated extreme-scale HPC system using architectural models and virtual timing. This paper demonstrates the capabilities and usefulness of the xSim performance investigation toolkit, such as its scalability to 2^27 simulated Message Passing Interface (MPI) ranks on 960 real processor cores, the capability to evaluate the performance of different MPI collective communication algorithms, and the ability to evaluate the performance of a basic Monte Carlo application with different architectural parameters.

Engelmann, Christian↗

Using simple PID-inspired controllers for online resilient resource management of distributed scientific workflows

Scientific workflows have become mainstream for conducting large-scale scientific research. As a result, many workflow applications and Workflow Management Systems (WMSs) have been developed as part of the cyberinfrastructure to allow scientists to execute their applications seamlessly on a range of distributed platforms. Although the scientific community has addressed this challenge from both theoretical and practical approaches, failure prediction, detection, and recovery still raise many research questions. In this paper, we propose an approach inspired by the control theory developed as part of autonomic computing to predict failures before they happen, and mitigated them when possible. The proposed approach is inspired on the proportional–integral–derivative controller (PID controller) control loop mechanism, which is widely used in industrial control systems, where the controller will react to adjust its output to mitigate faults. PID controllers aim to detect the possibility of a non-steady state far enough in advance so that an action can be performed to prevent it from happening. To demonstrate the feasibility of the approach, we tackle two common execution faults of large scale data-intensive workflows—data storage overload and memory overflow. We developed a simulator, which implements and evaluates simple standalone PID-inspired controllers to autonomously manage data and memory usage of a data-intensive bioinformatics workflow that consumes/produces over 4.4 TB of data, and requires over 24 TB of memory to run all tasks concurrently. Experimental results obtained via simulation indicate that workflow executions may significantly benefit from the controller-inspired approach, in particular under online and unknown conditions. Simulation results show that nearly-optimal executions (slowdown of 1.01) can be attained when utilizing our proposed method, and faults are detected and mitigated far in advance of their occurrence.

97 MATHEMATICS AND COMPUTING↗

Tikiri—Towards a lightweight blockchain for IoT

Internet of Things (IoT) platforms have been deployed in several domains to enhance efficiency of business process and improve productivity. Most IoT platforms comprise of heterogeneous software and hardware components which can potentially introduce security and privacy challenges. Blockchain technology has been proposed as one of the solutions to realize IoT security by leveraging the (a) Immutable ledger, (b) Decentralized architecture and (c) Strong cryptography primitives. However, integrating blockchain platforms with IoT based applications presents several challenges due to lack of (a) acceptable performance on resource-constrained devices, (b) high transaction throughput, (c) keyword-based search and retrieve, (d) transaction back pressure operations, and (e) real-time response. In this paper, we propose a lightweight blockchain platform, “Tikiri”, for resource-constrained IoT devices. Tikiri uses Apache Kafka for the consensus and proposes new blockchain architecture to handle real-time transaction execution on the blockchain. Tikiri is characterized by functional programming and actor-based smart contract platform that realizes concurrent execution of transactions in the blockchain. Tikiri realizes a lightweight and scalable blockchain that can provides performance on the resource-constrained IoT devices.

97 MATHEMATICS AND COMPUTING↗

Tc(VII) Reduction Kinetics by Titanomagnetite (Fe3-xTixO4) Nanoparticles

Technetium contamination remains a major environmental problem at nuclear reprocessing sites, such as at the Hanford nuclear reservation, Washington, U.S.A. Here we investigate the heterogeneous reduction of the highly soluble pertechnetate anion [Tc(VII)O4-] to sparingly soluble Tc(IV)-bearing solids by a novel and well-characterized set of mixed-valent titanium-doped magnetite nanoparticles, structurally and chemically analogous to titanomagnetites naturally present in Hanford sediments. Titanomagnetite (Fe3 xTixO4) nanoparticles (10-12 nm) with varying Ti content (0 ≤ x ≤ 0.53) were synthesized in aqueous suspension. Reaction with 10 and 30 μM Tc(VII) solution yielded fast exponentially decaying reduction kinetics with rates that increased with increasing solid-state Fe(II)/Fe(III) ratio in the nanoparticles, a characteristic systematically controlled by the Ti-content. Nanoparticles before and after reduction experiments and surface-associated products of Tc(VII) reduction were characterized using transmission electron microscopy (TEM), X-ray absorption nearedge spectroscopy (XANES), extended X-ray absorption fine structure spectroscopy (EXAFS), micro Xray diffraction (μ-XRD), X-ray absorption (XA) and X-ray magnetic circular dichroism (XMCD). A mechanistic reaction model was developed involving reduction of Tc(VII) to form Tc(IV)/Fe(III) solids by structural Fe(II) enriched at the nanoparticle surface, a reactive Fe(II) pool that during reaction is resupplied and sustained by outward migration of Fe(II) from the particle interior with concurrent inward migration of charge-balancing cationic vacancies in a ratio of 3:1. The reaction process was quantitatively linked to mass and electron balanced changes in the Fe3-xTixO4 nanoparticles, and the accessibility of structural Fe(II) from these phases was determined.

Environmental Molecular Sciences Laboratory↗

Characterization of natural titanomagnetites (Fe3-xTixO4) for studying heterogeneous electron transfer to Tc(VII) in the Hanford subsurface

Sediments with basaltic provenance, such as those at the Hanford nuclear reservation, Washington, USA, are rich in Fe-bearing minerals of mixed valence. These minerals are redox reactive with aqueous O2 or Fe(II), and have the potential to react with important environmental contaminants including Tc. Here we isolate, identify and characterize natural Fe(II)/Fe(III)-bearing microparticles from Hanford sediments, develop synthetic analogues and investigate their batch redox reactivity with aqueous Tc(VII). Natural Fe-rich mineral samples were isolated by magnetic separation from sediments collected at several locations on Hanford’s central plateau. This magnetic mineral fraction was found to represent up to 1 wt% of the total sediment, and be composed of 90% magnetite with minor ilmenite and hematite, as determined by X-ray diffraction. The magnetite contained variable amounts of transition metalsconsistent with alio- and isovalent metal substitutions for Fe. X-ray microprobe analysis showed that Ti was the most significant substituent, and that these grains could be described with the titanomagnetite formula Fe3_xTixO4, which falls between endmember magnetite (x = 0) and ulvo¨ spinel (x = 1). The dominant composition was determined to be x = 0.15 by chemical analysis and electron probe microanalysis in the bulk, and by L-edge X-ray absorption spectroscopy and X-ray photoelectron spectroscopy at the surface. Site-level characterization of the titanomagnetites by X-ray magnetic circular dichroism showed that despite native oxidation, octahedral Fe(II) was detectable within 5 nm of the mineral surface. By testing the effect of contact with oxic Hanford and Ringold groundwaters to reduced Ringold groundwater, it was found that the concentration of this near-surface structural Fe(II) was strongly dependent on aqueous redox condition. This highlights the potential for restoring reducing equivalents and thus reduction capacity to oxidized Fe-mineral surfaces through redox cycling in the natural environment. Reaction of these magnetically-separated natural phases from Hanford sediments with a solution containing 10 lmol L_1 Tc(VII) showed that they were able to reductively immobilize Tc(VII) with concurrent oxidation of Fe(II) to Fe(III) at the mineral surface, as were synthetic x = 0.15 microparticle and nanoparticle analogue phases. When differences in the particle surface area to solution volume ratio were taken into consideration, measured Tc(VII) reduction rates for Fe3_xTixO4(x = 0.15) natural material, synthetic bulk powder and nanoparticles scaled systematically, suggesting possible utility for comprehensive batch and flow reactivity studies.

Environmental Molecular Sciences Laboratory↗

Subsoil organo-mineral associations under contrasting climate conditions

Climate differences can induce profound changes in organo-mineral associations in soils. However, the magnitude of these modifications, whether as a direct effect of climate conditions or an indirect effect through changes in soil mineralogy, are still not fully understood. In this study, we aimed to improve understanding of how climate and resultant changes in soil mineralogy affect subsoil (i.e., 0.4–0.9 m) organo-mineral interactions at the macro- and microscale. A set of subsoil samples were collected throughout an elevation gradient (approximately 1800 to 2400 mm precipitation year –1 and 15 to 24ºC) on Kohala Mountain, Hawaii. We carried out a combined approach of bulk soil analyses with mineral extractions and spectroscopic and spectromicroscopic analyses. Significant positive correlations (p < 0.05) between soil organic carbon (SOC) with extracted Fe and Al (dithionite citrate bicarbonate – DCB and ammonium oxalate – OX) at the bulk soil scale supported prior research showing concurrent decline of subsoil Fe, Al and SOC above a precipitation level of ~2000 - ~2200 mm year -1 . However, divergence in microscale organo-mineral associations identified using NanoSIMS allowed us to discern the relative roles of Fe and Al in promoting organo-mineral associations. At the lower precipitation range (~1800 mm year -1 ), the clay fraction < 2 µm showed higher amounts of organic matter (OM) co-localized with Fe & Al compared with the higher precipitation level (~2300 mm year -1 ), where OM was mostly unassociated or only associated with Al. While Fe contributed to approximately 40% of the microscale organo-mineral associations in the lower precipitation site (quantified by co-localizations with OM segments), this contribution at the higher rainfall regime was only 5%. In contrast, the contribution of Al was approximately the same in both rainfall levels (approximately 30%). Therefore, associations with Al may be more important than Fe for OM stabilization under reducing climate conditions. The normalized CN:C ratio based on individual pixels was found to be higher when co-localized with Al, Fe, or both, especially under the high precipitation regime. This fact points towards the importance of Fe and Al to stabilize more N-rich OM, especially at high rainfall levels. In addition, subsoil from higher rainfall conditions exhibited more reduced forms of Fe (assessed by Fe K-edge XANES) and lower proportions of carboxyl-C (5% lower in the relative abundance) as well as higher alkyl/O-alkyl ratios determined by CP-MAS 13C NMR. Such differences in composition may directly influence the organo-mineral associations at both locations, as differences in Fe reduction and the presence of carboxyl-C groups are recognized to play a role in OM stabilization. We conclude that spatial relationships between Fe and Al with SOC at the microscale show a shift towards Al-dominated SOC associations at higher precipitation that could not be ascertained from bulk measurements alone. Therefore, they are of fundamental importance to understand the impact of climate change on SOC stabilization.

54 ENVIRONMENTAL SCIENCES↗

Facet-specific oxidation of Mn(II) and heterogeneous growth of manganese (oxyhydr)oxides on hematite nanoparticles

It is recognized that different facets of minerals vary distinctively in their chemical reactivity with aqueous solutions. However, detailed molecular and atomistic understandings of these phenomena are relatively limited. This study investigated the interaction of aqueous Mn2+ and dissolved oxygen on various facets of two morphology-types of iron oxide (hematite) nanocrystals. These interactions result in the oxidation of manganese and the heterogeneous nucleation and growth of Mn(II)/Mn(III), and Mn(III) oxides. The nanoscale morphology and atomic structure of the manganese oxide products were characterized in detail. Our results, for the first time, directly demonstrate the facet-dependent oxidation of Mn 2+ and nucleation of Mn(II/III) oxides, followed by their epitaxial growth on hematite. Scanning electron microscopy (SEM), transmission electron microscopy (TEM), and electron diffraction measurements reveal the growth of MnOx nanowires on {012} facets of both hematite nanoplates (HNP) and hematite nanocubes (HNC), while the basal {001} facets on the HNP particles do not produce precipitates. The average oxidation state of the MnO x on HNP and HNC determined using electron energy-loss spectroscopy (EELS) show that both Mn(II) and Mn(III) are present. The facet-dependent oxidation of Mn 2+ may be attributed to adsorption-induced electron transfer (ET), and hematite {001} facets generally exhibiting weaker ability in the uptake of ions relative to {012} facets, and the bulk ET from {012} to {001} facets through the conduction band of hematite. Nevertheless, the mineral composition and growth mechanisms of MnOx catalyzed by HNP and HNC are similar. High-resolution TEM analysis reveals the presence of both hausmannite and manganite on HNP and HNC. The nanoscale observations and thermodynamic considerations indicate that the growth mechanisms/processes of MnO x include heterogeneous nucleation of hausmannite nanoparticles, crystallization by particle attachment, transformation from hausmannite to manganite, and self-catalyzed MnO x growth. It is possible that all of these processes are concurrent. The crystallographic relationship between the heterogeneously formed manganite with hematite, which has not been reported before, proves that hematite provides reaction sites and functions as an atomic template for the formation of MnO x nanowires. These findings advance our understanding of the redox chemistry and heterogeneous growth of minerals as controlled by the surficial structure of the substrate mineral. This has important geochemical implications as the catalytic growth of less common, highly reactive phases like MnO x are known to be consequential in complex natural and anthropogenic environments.

36 MATERIALS SCIENCE↗

Water film-driven Mn (oxy)(hydr)oxide nanocoating growth on rhodochrosite

Minerals exposed to moist air stabilize thin water films that drive a score of chemical reactions of great importance to water-unsaturated terrestrial environments. In this study, we identified Mn (oxy)(hydr)oxide nanocoatings formed by the dissolution, oxidation and precipitation of Mn in oxygenated water films grown on rhodochrosite (MnCO 3 ) microparticles. Nanocoatings that could be identified by vibrational spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and (scanning and transmission) electron microscopy formed in water films containing the equivalent of at least 7 monolayers (~84 H 2 O/nm 2 ). These films were formed by exposing microparticles to moist air with at least 50% relative humidity (RH). Films of neutral pH reacted up to 14% of the Mn II located in the topmost ~5 nm region of the microparticles in atmospheres of up to 90% RH for 7 d. These reactions produced MnOOH, birnessite (MnO 2 ) and hausmannite (Mn 3 O 4 ) nanoparticles of low crystallinity, while exposure to atmospheric air for 1 yr. converted only 2% of Mn II in this region to MnOOH. In contrast, reactions in alkaline water films converted up to ~75% of the Mn II but only after 16 d of reaction. These films produced MnOOH and MnO 2 of low crystallinity, as well as crystalline hausmannite. Kinetic modeling of the time-resolved growth of the Mnsingle bondO stretching vibrational bands of these nanocoatings revealed two concurrent reaction processes. A 1 rst -order process was assigned to nucleation events terminating only after a few hours, and a 0-order process was assigned to the sustained growth of nanocoatings from these nuclei over longer reaction time. By identifying nanocoatings formed by water film-driven reactions on rhodochrosite, our study adds new insight into mineralogical transformations relevant to anoxic–oxic boundaries in water-unsaturated environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Coupled feldspar dissolution and secondary mineral precipitation in batch systems: 6. Labradorite dissolution, calcite growth, and clay precipitation at 60 °C and pH 8.2–8.4

Here, we conducted experiments on concurrent labradorite dissolution, calcite precipitation, and clay precipitation in batch reactor systems and tracked reaction processes using multiple isotope tracers. Labradorite was chosen for its role as a major and reactive component in basalt; the experiments thus directly impact our understanding of CO 2 storage in basalt aquifers and enhanced rock weathering. We doped initial solutions with 29 Si, 43 Ca, and Ca 13 CO 3 (s). Experiments were conducted at 60 °C and pH ~ 8.3 for up to 840 h, with isotope ratios in the experimental aqueous solutions measured using MC-ICP-MS. Unidirectional rates of labradorite dissolution near equilibrium were approximately two orders of magnitude slower than far-from-equilibrium rates reported in the literature. Calcite growth occurred near equilibrium and the rates were limited by the labradorite dissolution rates. In the steady state phase, the interplay of these three heterogeneous reactions—labradorite dissolution, calcite growth, and clay precipitation—results in a coupled system that approaches a near-equilibrium state. The system does not reach true equilibrium because labradorite continues to dissolve, albeit at a much slower rate near equilibrium. The overall reaction can be approximated as, Na 0.4 Ca 0.6 Al 1.6 Si 2.4 O 8 + 0.6HCO 3 - + 1·.7H 2 O + 0.4H + → 0.4Na + + 0.6CaCO 3(s) + 0.5Al 2 Si 2 O 5 (OH) 4(s) + 0.6Al(OH) 4 - + 1.4SiO 2 o (aq). The experimental results show that using short-term far-from-equilibrium rate constants would lead to an overestimation of feldspar weathering rates at the Earth’s surface (e.g., basalt weathering and enhanced rock weathering) and CO 2 mineralization in basalt aquifers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A time-domain electromechanical co-simulation framework for power system transient analysis with retainment of user defined models

This paper proposes a time-domain electromechanical co-simulation framework to accomplish concurrent running of multiple simulators in order to preserve user-defined models and allow maximum simulation accuracy for power system transient analysis. Here, a middleware interface is developed to manage the interaction and synchronization of the multiple simulators via boundary model. Consequently, it eliminates the requirement of model conversion of each subsystem and thus ensure the user-defined models in each specific software are retained for entire system situational awareness. Preliminary testing results on 140-bus Northeastern Power Coordinating Council (NPCC) model validate the effectiveness and accuracy of the proposed framework for PSS/E and PSLF co-simulation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Particle-scale CO2 adsorption kinetics modeling considering three reaction mechanisms

In the presence of water (H2O), dry and wet adsorptions of carbon dioxide (CO2) and physical adsorption of H2O happen concurrently in a sorbent particle. The three reactions depend on each other and have a complicated, but important, effect on CO2 capturing via a solid sorbent. In this study, transport phenomena in the sorbent were modeled, including the tree reactions, and a numerical solving procedure for the model also was explained. The reaction variable distribution in the sorbent and their average values were calculated, and simulation results were compared with experimental data to validate the proposed model. Some differences, caused by thermodynamic parameters, were observed between them. However, the developed model reasonably simulated the adsorption behaviors of a sorbent. The weight gained by each adsorbed species, CO2 and H2O, is difficult to determine experimentally. It is known that more CO2 can be captured in the presence of water. Still, it is not yet known quantitatively how much more CO2 the sorbent can capture, nor is it known how much dry and wet adsorptions separately account for CO2 capture. This study addresses those questions by modeling CO2 adsorption in a particle and simulating the adsorption process using the model. As adsorption temperature changed into several values, the adsorbed amount of each species was calculated. The captured CO2 in the sorbent particle was compared quantitatively between dry and wet conditions. As the adsorption temperature decreased, wet adsorption increased. However, dry adsorption was reduced.

CO2 capture, Mathematical modeling, Sorbent partic↗

Evaluation of multiple reduced-order models to enhance confidence in global sensitivity analyses

Variance-based global sensitivity analysis (e.g., the Sobol' sensitivity index) can be used to identify the important parameters over the entire parameter space. However, one often cannot afford the computational costs of sampling-based approaches in combination with expensive high-fidelity forward models. Reduced-order models (ROM) can substantially accelerate calculation of these sensitivities. However, it is usually difficult to determine what type of ROM should be used and how accurately the ROM represents the high-fidelity model (HFM) results. Here in this paper, we propose to concurrently use multiple ROMs as a way to assess the robustness of the model-reduction method. Two sets of HFM simulations are needed, one set for building ROMs and the other for validating ROMs. Our goal is to keep the total number of HFM simulations to a minimum. Ideally some of the HFM simulations in the first set can be shared by different ROMs. Based on validation results, the ROMs can be combined with different schemes. We demonstrate that we can achieve the goal by using four different ROMs and still considerably save computational time compared to using traditional HFM simulation for calculating sensitivity indices. We apply the approach to an example problem of a large-scale geological carbon dioxide storage system, in which the objective is to calculate a sensitivity index to identify important parameters. For this problem, the locally best ROM provides better estimates than the weighted average from all ROMs.

54 ENVIRONMENTAL SCIENCES↗

Droplet breakup by multimodal nonlinear Rayleigh Taylor instability

A droplet impacted by a shock wave will undergo a process of fragmentation due to the development of interfacial hydrodynamic instabilities. The interface experiences variable acceleration and shear that result in the development of both inertial (Rayleigh–Taylor) and shear (Kelvin–Helmholtz) instabilities. These perturbations grow in time and drive the fragmentation and breakup of the deformed droplet. Experiments are performed on nominally 0.86 mm water droplet subjected to a Mach 7.6 detonation wave, resulting in a high Weber number (~36,000) breakup event. Perturbation growth is measured from a series of high-speed (> MHz) shadowgraph images. It is proposed that, given the size of the large-scale perturbations observed in experiments, these instabilities are growing in the non-linear regime and can be described by bubble-merger models for nonlinear mixing. Calculations are performed for the growth rates and size of these instabilities using deformation and external flow models to establish the time-dependent boundary conditions. The concurrence of the measured perturbation widths and the predictions of the simple model lend credence to the theory. This novel approach serves to open a new avenue in the characterization of droplet breakup via hydrodynamic instabilities.

Droplet breakup↗

A Planned Neck Dissection Is Not Necessary in All Patients With N2-3 Head-and-Neck Cancer After Sequential Chemoradiotherapy

Purpose: To assess the role of a planned neck dissection (PND) after sequential chemoradiotherapy for patients with head-and-neck cancer with N2-N3 nodal disease. Methods and Materials: We reviewed 90 patients with N2-N3 head-and-neck squamous cell carcinoma treated between 1991 and 2001 on two sequential chemoradiotherapy protocols. All patients received induction and concurrent chemotherapy with cisplatin and 5-fluorocuracil, with or without tirapazamine. Patients with less than a clinical complete response (cCR) in the neck proceeded to a PND after chemoradiation. The primary endpoint was nodal response. Clinical outcomes and patterns of failure were analyzed. Results: The median follow-up durations for living and all patients were 8.3 years (range, 1.5-16.3 year) and 5.4 years (range, 0.6-16.3 years), respectively. Of the 48 patients with nodal cCR whose necks were observed, 5 patients had neck failures as a component of their recurrence [neck and primary (n = 2); neck, primary, and distant (n = 1); neck only (n = 1); neck and distant (n = 1)]. Therefore, PND may have benefited only 2 patients (4%) [neck only failure (n = 1); neck and distant failure (n = 1)]. The pathologic complete response (pCR) rate for those with a clinical partial response (cPR) undergoing PND (n = 30) was 53%. The 5-year neck control rates after cCR, cPR{yields}pCR, and cPR{yields}pPR were 90%, 93%, and 78%, respectively (p = 0.36). The 5-year disease-free survival rates for the cCR, cPR{yields}pCR, and cPR{yields}pPR groups were 53%, 75%, and 42%, respectively (p = 0.04). Conclusion: In our series, patients with N2-N3 neck disease achieving a cCR in the neck, PND would have benefited only 4% and, therefore, is not recommended. Patients with a cPR should be treated with PND. Residual tumor in the PND specimens was associated with poor outcomes; therefore, aggressive therapy is recommended. Studies using novel imaging modalities are needed to better assess treatment response.

62 RADIOLOGY AND NUCLEAR MEDICINE↗