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At least 415 records · Page 23

TU-CD-BRA-11: Application of Bone Suppression Technique to Inspiratory/expiratory Chest Radiography

Purpose: The bone suppression technique based on advanced image processing can suppress the conspicuity of bones on chest radiographs, creating soft tissue images normally obtained by the dual-energy subtraction technique. This study was performed to investigate the usefulness of bone suppression technique in quantitative analysis of pulmonary function in inspiratory/expiratory chest radiography. Methods: Commercial bone suppression image processing software (ClearRead; Riverain Technologies) was applied to paired inspiratory/expiratory chest radiographs of 107 patients (normal, 33; abnormal, 74) to create corresponding bone suppression images. The abnormal subjects had been diagnosed with pulmonary diseases, such as pneumothorax, pneumonia, emphysema, asthma, and lung cancer. After recognition of the lung area, the vectors of respiratory displacement were measured in all local lung areas using a cross-correlation technique. The measured displacement in each area was visualized as displacement color maps. The distribution pattern of respiratory displacement was assessed by comparison with the findings of lung scintigraphy. Results: Respiratory displacement of pulmonary markings (soft tissues) was able to be quantified separately from the rib movements on bone suppression images. The resulting displacement map showed a left-right symmetric distribution increasing from the lung apex to the bottom region of the lung in many cases. However, patients with ventilatory impairments showed a nonuniform distribution caused by decreased displacement of pulmonary markings, which were confirmed to correspond to area with ventilatory impairments found on the lung scintigrams. Conclusion: The bone suppression technique was useful for quantitative analysis of respiratory displacement of pulmonary markings without any interruption of the rib shadows. Abnormal areas could be detected as decreased displacement of pulmonary markings. Inspiratory/expiratory chest radiography combined with the bone suppression technique has potential for predicting local lung function on the basis of dynamic analysis of pulmonary markings. This work was partially supported by Nakatani Foundation, Grant-in-aid for Scientific Research (C) of Ministry of Education, Culture, Sports, Science and Technology, JAPAN (Grant number : 24601007), and Nakatani Foundation, Mitsubishi Foundation, and the he Mitani Foundation for Research and Development. Yasushi Kishitani is a staff of TOYO corporation.

60 APPLIED LIFE SCIENCES↗

1994 SEMCOG Household-Based Person Trip Survey

The Southeast Michigan Council of Governments contracted with the Applied Management & Planning Group to conduct a travel behavior survey of 7,361 households from March 28, 1994, to June 10, 1994. The primary purpose of this study was to provide the council with a new database of travel behavior to assist in updating the region's transportation models. This data collection includes demographic, socioeconomic, travel, and mobile source emissions models for projecting future patterns of development, travel, congestion, and air pollution. Information about household characteristics and travel was collected using a one-day, activity-focused diary and a separate household survey. In an activity diary, respondents recorded 65,535 trips during the assigned the day.

1Hz data↗

The Convolutional Multiple Whole Profile (CMWP) Fitting Method, a Global Optimization Procedure for Microstructure Determination

The analysis of line broadening in X-ray and neutron diffraction patterns using profile functions constructed on the basis of well-established physical principles and TEM observations of lattice defects has proven to be a powerful tool for characterizing microstructures in crystalline materials. These principles are applied in the convolutional multiple-whole-profile (CMWP) procedure to determine dislocation densities, crystallite size, stacking fault and twin boundary densities, and intergranular strains. The different lattice defect contributions to line broadening are separated by considering the hkl dependence of strain anisotropy, planar defect broadening and peak shifts, and the defect dependent profile shapes. The Levenberg–Marquardt (LM) peak fitting procedure can be used successfully to determine crystal defect types and densities as long as the diffraction patterns are relatively simple. However, in more complicated cases like hexagonal materials or multiple-phase patterns, using the LM procedure alone may cause uncertainties. Here, we extended the CMWP procedure by including a Monte Carlo statistical method where the LM and a Monte Carlo algorithm were combined in an alternating manner. The updated CMWP procedure eliminated uncertainties and provided global optimized parameters of the microstructure in good correlation with electron microscopy methods.

36 MATERIALS SCIENCE↗

Reversibility, pattern formation, and edge transport in active chiral and passive disk mixtures

In this study, we numerically examine mixtures of circularly moving and passive disks as a function of density and active orbit radius. For low or intermediate densities and/or small orbit radii, the system can organize into a reversible partially phase separated labyrinth state in which there are no collisions between disks, with the degree of phase separation increasing as the orbit radius increases. As a function of orbit radius, we find a divergence in the number of cycles required to reach a collision-free steady state at a critical radius, while above this radius, the system remains in a fluctuating liquid state. For high densities, the system can organize into a fully phase separated state that is mostly reversible, but collisions at the boundaries between the phases lead to a net transport of disks along the boundary edges in a direction determined by the chirality of the active disk orbits. We map the dynamic phases as a function of density and orbit radii and discuss the results in terms of the reversible-irreversible transition found in other periodically driven non-thermal systems. Finally, we also consider mixtures of circularly driven disks and ac driven disks where the ac drive is either in or out of phase with the circular motion and find a rich variety of pattern forming and reentrant disordered phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Separating the Influences of Low-Latitude Warming and Sea Ice Loss on Northern Hemisphere Climate Change

Abstract Analyzing a multimodel ensemble of coupled climate model simulations forced with Arctic sea ice loss using a two-parameter pattern-scaling technique to remove the cross-coupling between low- and high-latitude responses, the sensitivity to high-latitude sea ice loss is isolated and contrasted to the sensitivity to low-latitude warming. Despite some differences in experimental design, the Northern Hemisphere near-surface atmospheric sensitivity to sea ice loss is found to be robust across models in the cold season; however, a larger intermodel spread is found at the surface in boreal summer, and in the free tropospheric circulation. In contrast, the sensitivity to low-latitude warming is most robust in the free troposphere and in the warm season, with more intermodel spread in the surface ocean and surface heat flux over the Northern Hemisphere. The robust signals associated with sea ice loss include upward turbulent and longwave heat fluxes where sea ice is lost, warming and freshening of the Arctic Ocean, warming of the eastern North Pacific Ocean relative to the western North Pacific with upward turbulent heat fluxes in the Kuroshio Extension, and salinification of the shallow shelf seas of the Arctic Ocean alongside freshening in the subpolar North Atlantic Ocean. In contrast, the robust signals associated with low-latitude warming include intensified ocean warming and upward latent heat fluxes near the western boundary currents, freshening of the Pacific Ocean, salinification of the North Atlantic, and downward sensible and longwave fluxes over the ocean.

54 ENVIRONMENTAL SCIENCES↗

First Ever Polymer Flood Field Pilot To Enhance The Recovery Of Heavy Oils On Alaska’s North Slope - Pushing Ahead One Year Later

In June 2018 the team embarked on an ambitious project to address the slow development pace of Alaska’s 20+ billion barrels heavy oil resource via the first ever polymer flood pilot. Following the successful commencement of the pilot in August 2018, the field demonstration, supporting laboratory experiments and numerical simulation have steadily progressed. A significant amount of valuable data and lessons learned have been collected, and are reported in this paper. The ongoing pilot and the research activities is making headway toward the primary objective of validating the use of polymer flooding for extracting heavy oil in Alaska’s challenging environment. The pilot is conducted in two pre-existing pairs of horizontal injectors and producers in an isolated fault block of the Schrader Bluff heavy oil reservoir at the Milne Point Field. A customized polymer blending and pumping unit injects HPAM polymer at a concentration of 1,750 ppm to achieve a target viscosity of 45 cP. Supporting coreflood laboratory experiments have focused on quantification of polymer retention in the rock, and effect of injection water salinity, polymer, and their combinations on oil recovery. The injection and production response of the pilot flood pattern is utilized to develop a history matched reservoir simulation model for forecasting oil recovery beyond the pilot. Finally, specially designed laboratory experiments address anticipated operating concerns regarding post-polymer breakthrough such as oil-water separation efficiency and polymer induced fouling of heater tubes. Polymer has been injected continuously since startup except for two short equipment modification shutdowns, and more recently a prolonged disruption due to polymer hydration issues at the J-pad field site. Cumulatively, over 600,000 lbs. of polymer has been injected, corresponding to ~7%PV. The two producers show significant decrease in the water cut, gradually increasing oil rate, and no polymer breakthrough. Two main observations from the coreflood are a significant uncertainty in polymer retention values, and positive oil recovery response to low salinity water (2,600 mg/liter TDS). The heterogeneity in the flood pattern presents some challenges in obtaining a robust history matched simulation model. Experimental results on produced fluids treatment indicate the formation of a dense polymer deposit, at certain conditions, on heating tubes that can negatively impact the heat transfer efficiency. The scientific knowledge, including the lessons learned during unanticipated shutdowns, quality control, logistics and field data that is being acquired from this effort has referential value for other planned EOR projects. Finally, by all indications, the polymer field pilot is steadily progressing toward achieving the ultimate goal of unlocking the massive heavy oil resources on Alaska North Slope (ANS).

Dandekar, Abhijit↗

On the analysis and comparison of conformer-specific essential dynamics upon ligand binding to a protein

The native state of a protein consists of an equilibrium of conformational states on an energy landscape rather than existing as a single static state. The co-existence of conformers with different ligand-affinities in a dynamical equilibrium is the basis for the conformational selection model for ligand binding. In this context, the development of theoretical methods that allow us to analyze not only the structural changes but also changes in the fluctuation patterns between conformers will contribute to elucidate the differential properties acquired upon ligand binding. Molecular dynamics simulations can provide the required information to explore these features. Its use in combination with subsequent essential dynamics analysis allows separating large concerted conformational rearrangements from irrelevant fluctuations. We present a novel procedure to define the size and composition of essential dynamics subspaces associated with ligand-bound and ligand-free conformations. These definitions allow us to compare essential dynamics subspaces between different conformers. Our procedure attempts to emphasize the main similarities and differences between the different essential dynamics in an unbiased way. Essential dynamics subspaces associated to conformational transitions can also be analyzed. As a test case, we study the glutaminase interacting protein (GIP), composed of a single PDZ domain. Both GIP ligand-free state and glutaminase L peptide-bound states are analyzed. Our findings concerning the relative changes in the flexibility pattern upon binding are in good agreement with experimental Nuclear Magnetic Resonance data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pattern formation and flocking for particles near the jamming transition on resource gradient substrates

Here, we numerically examine a bidisperse system of active and passive particles coupled to a resource substrate. The active particles deplete the resource at a fixed rate and move toward regions with higher resources, while all of the particles interact sterically with each other. We show that at high densities, this system exhibits a rich variety of pattern-forming phases along with directed motion or flocking as a function of the relative rates of resource absorption and consumption as well as the active to passive particle ratio. These include partial phase separation into rivers of active particles flowing through passive clusters, strongly phase separated states where the active particles induce crystallization of the passive particles, mixed jammed states, and fluctuating mixed fluid phases. For higher resource recovery rates, we demonstrate that the active particles can undergo motility-induced phase separation, while at high densities, there can be a coherent flock containing only active particles or a solid mixture of active and passive particles. The directed flocking motion typically shows a transient in which the flow switches among different directions before settling into one direction, and there is a critical density below which flocking does not occur. We map out the different phases as function of system density, resource absorption and recovery rates, and the ratio of active to passive particles.

97 MATHEMATICS AND COMPUTING↗

Cohesive finite element modeling of the delamination of HTPB binder and HMX crystals under tensile loading

Accurately modeling the mechanical behavior of the polymer binders and the degradation of interfaces between binder and crystal is important to science-based understanding of the macro-scale response of polymer bonded explosives. The paper presents a description of relatively a simple bi-crystal HMX-HTPB specimen and associated tensile loading experiment including computed tomography imaging, the pertinent constitutive theory, and details of numerical simulations used to infer the behavior of the material during the delamination process. Within this work, mechanical testing and direct numerical simulation of this relatively simple bi-crystal system enabled reasonable isolation of binder-crystal interface delamination, in which the effects of the complicated thermomechanical response of explosive crystals were minimized. Cohesive finite element modeling of the degradation and delamination of the interface between a modified HTPB binder and HMX crystals was used to reproduce observed results from tensile loading experiments on bi-crystal specimens. Several comparisons are made with experimental measurements in order to identify appropriate constitutive behavior of the binder and appropriate parameters for the cohesive traction-separation behavior of the crystal-binder interface. This research demonstrates the utility of directly modeling the delamination between binder and crystal within crystal-binder-crystal tensile specimen towards characterizing the behavior of these interfaces in a manner amenable to larger scale simulation of polycrystalline PBX materials. One critical aspect of this approach is micro computed tomography imaging conducted during the experiments, which enabled comparison of delamination patterns between the direct numerical simulation and actual specimen. In addition to optimizing the cohesive interface parameters, one important finding from this investigation is that understanding and representing the strain-hardening plasticity of HTPB binder is important within the context of using a cohesive traction-separation model for the delamination of a crystal-binder system.

42 ENGINEERING↗

Mechanism of zeolite X crystallization from diatomite

Highlights: • The intermediate species of zeolite X appears on the surface of solid particles. • The β cages build up the intermediate species, which was consist of four-membered rings (4R) and six-membered rings (6R). • The double six-membered ring (D6R) played a critical role for the crystallization process. • The β cages interconnect via double six-membered rings to form the framework of zeolite X. - Abstract: Here we systemically investigated the crystallization process of zeolite X using diatomite, a natural cost-effective silica precursor by the hydrothermal method. To decipher the mechanism, solids were separated from the mixtures at various stages of crystallization and were characterized by XRD, SEM, solid state NMR, FT-IR, UV-Raman and XRF. The XRD patterns revealed that the crystallization started between 3 and 3.5 h and ended by 5 h. The SEM images showed that the intermediate species of zeolite X appear on the surface of particles. The FT-IR and UV-Raman spectra suggested the presence of double six-membered rings (D6R) in the framework of zeolite X and they played a critical role in the crystallization process. Furthermore, the UV-Raman spectra indicated that the secondary building units of β cages formed the intermediate species and they were interconnected via double six-membered rings to form the framework of zeolite X.

36 MATERIALS SCIENCE↗

Dynamic Conductivity of Ferroelectric Domain Walls in BiFeO 3

Topological walls separating domains of continuous polarization, magnetization, and strain in ferroic materials hold promise of novel electronic properties, that are intrinsically localized on the nanoscale and that can be patterned on demand without change of material volume or elemental composition. In this paper, we have revealed that ferroelectric domain walls in multiferroic BiFeO 3 are inherently dynamic electronic conductors, closely mimicking memristive behavior and contrary to the usual assumption of rigid conductivity. Applied electric field can cause a localized transition between insulating and conducting domain walls, tune domain wall conductance by over an order of magnitude, and create a quasicontinuous spectrum of metastable conductance states. Our measurements identified that subtle and microscopically reversible distortion of the polarization structure at the domain wall is at the origin of the dynamic conductivity. Finally, the latter is therefore likely to be a universal property of topological defects in ferroelectric semiconductors.

36 MATERIALS SCIENCE↗

Improving CLM5.0 Biomass and Carbon Exchange Across the Western United States Using a Data Assimilation System

The Western United States is dominated by natural lands that play a critical role for carbon balance, water quality, and timber reserves. This region is also particularly vulnerable to forest mortality from drought, insect attack, and wildfires, thus requiring constant monitoring to assess ecosystem health. Carbon monitoring techniques are challenged by the complex mountainous terrain, thus there is an opportunity for data assimilation systems that combine land surface models and satellite-derived observations to provide improved carbon monitoring. Here, we use the Data Assimilation Research Testbed to adjust the Community Land Model (CLM5.0) with remotely sensed observations of leaf area and above-ground biomass. The adjusted simulation significantly reduced the above-ground biomass and leaf area, leading to a reduction in both photosynthesis and respiration fluxes. The reduction in the carbon fluxes mostly offset, thus both the adjusted and free simulation projected a weak carbon sink to the land. This result differed from a separate observation-constrained model (FLUXCOM) that projected strong carbon uptake to the land. Simulation diagnostics suggested water limitation had an important influence upon the magnitude and spatial pattern of carbon uptake through photosynthesis. We recommend that additional observations important for water cycling (e.g., snow water equivalent, land surface temperature) be included to improve the veracity of the spatial pattern in carbon uptake. Furthermore, the assimilation system should be enhanced to maximize the number of the simulated state variables that are adjusted, especially those related to the recommended observed quantities including water cycling and soil carbon.

54 ENVIRONMENTAL SCIENCES↗

Siderophore profiling of co-habitating soil bacteria by ultra-high resolution mass spectrometry

The chemical structure of organic molecules profoundly impacts their interactions with metal ions and mineral phases in soils. Understanding the sources and cycling of metal-chelating compounds is therefore essential for predicting the bioavailability and transport of metals throughout terrestrial environments. We investigate the molecular speciation of organic molecules that solubilize trace metals in calcareous soils from Eastern Washington. Ultra-high performance Fourier transform ion cyclotron resonance mass spectrometry at 21 Tesla enabled fast and confident detection and identification of metal chelators that are produced by microbes that inhabit these soils based on screening for features that match diagnostic metal isotope patterns. We compared two approaches, one based on direct infusion using the incorporation of a rare isotope to validate true iron-binding features, and another based on separation with liquid chromatography and detection of isotopologues with coherent elution profiles. While the isotopic exchange method requires significantly shorter analysis time, nearly twice as many features were observed with liquid chromatography mass spectrometry (LCMS), mostly due to the reduction in ion suppression where major features limit the sensitivity of minor features. In addition, LCMS enabled the collection of higher quality fragmentation spectra and facilitated feature identification. Siderophores belonging to four major classes were identified, including ferrioxamines, pseudobactins, enterobactins, and arthrobactins. Each of these siderophores likely derives from a unique member of the microbial community, and each possesses different chemical characteristics and uptake pathways, likely contributing to fierce competition for iron within these soils. Our results provide insight into the metabolic pathways by which microbes that co-inhabit calcareous soils compete for this essential micronutrient.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Site specific isolated nanostructure array formation on a large area by broad ion beam without any mask and resist

We report the formation of isolated nanostructure arrays on a large area via broad ion beam implantation without the aid of any mask or resist. Desired ions have been implanted at specific locations of the prefabricated silicon ripple or triangular structures by exploiting the variation of local ion impact angles. We have shown that the implantation of Fe ions on an O{sup +} ions induced pre fabricated triangular shaped patterned Si surface results in a self-organized periodic array of striped magnetic nanostructures having several micron length and about 50 nm width arranged with a spacial separation of ∼200 nm. The morphology, composition, crystalline structure, and magnetic property of these nanopatterns have been analyzed using high-resolution cross-sectional transmission electron microscopy and atomic force microscopy. A geometrical model has been proposed to explain the fundamental features of such ion-induced nanopattern structures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

From quantitative trait loci towards mechanisms: Linkage Integration Hypothesis Testing (LIgHT) sheds light on the mechanisms of genetically modulated stress tolerance

The goal of this work is to assess the mechanistic bases of natural genetic variations in plant responses of photosynthesis to stress. To achieve this goal, we devised the Linkage Integration Hypothesis Testing (LIgHT) approach, comparing chromosomal locations of quantitative trait loci (QTLs) for multiple phenotypes to distinguish between hypothetical mechanisms. As a use case, we explored genetic variations in photosynthesis-related processes under chilling stress in recombinant inbred lines of cowpea ( Vigna unguiculata L. Walp.). We focused on photosynthesis-related parameters measurable in high throughput and indicative of proposed chilling responses, including the states of PSI and PSII, photoprotective non-photochemical quenching, PSII photodamage, and nyctinastic leaf movements (NLMs). The patterns of QTL linkages indicated that chilling stress tolerance is genetically controlled by avoiding PSII photodamage rather than PSI damage or NLMs. This model was validated in a separate experiment measuring the rates of PSII photodamage and repair. Additional linkages suggest that chilling-induced damage to PSII is controlled by the thylakoid proton motive force and redox state of PSII. This regulation appears to be modulated by thylakoid fatty acid composition, previously associated with the same genetic loci and now supported by broader mechanistic evidence. We propose that the LIgHT approach can be broadly applied to test mechanisms underlying genetic variations.

MultispeQ↗

Two-pattern compound photonic crystals with a large complete photonic band gap

We present a set of two-dimensional aperiodic structures with a large complete photonic band gap (PBG), which are named two-pattern photonic crystals. By superposing two substructures without regard to registration, we designed six new aperiodic PBG structures having a complete PBG larger than 15% for {epsilon}{sub 2}/{epsilon}{sub 1} = 11.4. The rod-honeycomb two-pattern photonic crystal provides the largest complete PBG to date. An aperiodic structure becomes the champion structure with the largest PBG. Surprisingly, the TM and TE gaps of a two-pattern photonic crystal are much less interdependent than the PBGs of conventional photonic crystals proposed before, affording interesting capabilities for us to tune the TM and TE PBGs separately. By altering the respective substructures, optical devices for different polarizations (TE, TM, or both) can readily be designed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

β -delayed neutron spectroscopy of Co 70 , 72 ground-state and isomeric-state decays

Here, the β-decaying states of 70,72 Co were studied at the National Superconducting Cyclotron Laboratory using the VANDLE neutron time-of-flight array. The (6 - ,7 - )⁢β-decaying state in 70 Co is near-spherical with a lifetime of 113 ± 7 ms, and the low-spin (1 + ,2 + )⁢β-decaying state is postulated to be the prolate deformed ground state with a lifetime of 508 ± 7 ms. Both decay predominantly to the bound states of 70 Ni. For the first time neutron-emissions from neutron unbound states from both the (6 - ,7 - ) and (1 + ,2 + )⁢β decays were measured. Even with the low statistics data, we were able to disentangle the neutron emission from both decays, which enabled a determination of β-decay strength above the neutron separation energy of 70 Ni. Neutron emission probabilities were measured to be 7.1 ± 1.5% and 9.4 ± 1.7%, respectively, for the (6 - ,7 - ) and (1 + ,2 + ) decays. The decay pattern of the 70 Co is driven by neutron f 5/2 to proton f 7/2 Gamow-Teller transformation. The observed population of neutron unbound states is attributed to the conversion of p 1/2 and p 3/2 neutrons to p 3/2 and p 1/2 protons excited across the Z = 28 closed shell.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Quantifying the Impact of Advanced Web Platforms on High Performance Computing Usage

The deployment of Science Gateways for High Performance Computing (HPC) systems can alter long-accepted usage patterns on supercomputing systems in positive ways as an ever-increasing number of users migrate their workflows to HPC systems. Idaho National Laboratory (INL) has deployed two separate advanced web platforms, Open OnDemand and NICE DCV, for integration with HPC resources to improve web accessibility for HPC users. Researchers conducted a multi-year study on how HPC usage pat- terns changed in the presence of these platforms. This work reports the results of that study and quantifies the observed impacts, including adoption by visualization and Jupyter Notebook/Lab users, decreased job submission friction, rapid uptake of HPC by Windows users, and increased overall system utilization. The most significant impacts were observed from the deployment of Open OnDemand, and this work also identifies some best practices for Open OnDemand deployment for HPC datacenters.

97 MATHEMATICS AND COMPUTING↗