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At least 955 records · Page 53

CATMoS: Collaborative Acute Toxicity Modeling Suite

Background: Humans are exposed to tens of thousands of chemical substances that need to be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for regulatory hazard classification, labeling, and risk management. However, it is cost- and time-prohibitive to evaluate all new and existing chemicals using traditional rodent acute toxicity tests. In silico models built using existing data facilitate rapid acute toxicity predictions without using animals. Objectives: The U.S. Interagency Coordinating Committee on the Validation of Alternative Methods Acute Toxicity Workgroup organized an international collaboration to develop in silico models for predicting acute oral toxicity based on five different endpoints: LD50 value, U.S. Environmental Protection Agency hazard categories, Globally Harmonized System for Classification and Labelling hazard categories, very toxic chemicals (LD50 =50 mg/kg), and non-toxic chemicals (LD50 >2000 mg/kg). Methods: An acute oral toxicity data inventory for 11,992 chemicals was compiled, split into training and evaluation sets, and made available to 35 participating international research groups that submitted a total of 139 predictive models. Predictions that fell within the applicability domains of the submitted models were evaluated using external validation sets. These were then combined into consensus models to leverage strengths of individual approaches. Results: The resulting consensus predictions, which leverage the collective strengths of each individual model, form the Collaborative Acute Toxicity Modeling Suite (CATMoS). CATMoS demonstrated high performance in terms of accuracy and robustness when compared to in vivo results. Discussion: CATMoS is being evaluated by regulatory agencies for its utility and applicability as a potential replacement for in vivo rat acute oral toxicity studies. CATMoS predictions for over 800,000 chemicals have been made available via the NTP’s Integrated Chemical Environment. The models are also implemented in a free, standalone open-source tool, OPERA, which allows predictions of new and untested chemicals to be made.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Emergent symmetries in atomic nuclei: Probing nuclear dynamics and physics beyond the standard model

Dominant shapes naturally emerge in atomic nuclei from first principles, thereby establishing the shape-preserving symplectic Sp(3, \mathbb{R} ℝ ) symmetry as remarkably ubiquitous and almost perfect symmetry in nuclei. We discuss the critical role of this emergent symmetry in enabling machine-learning descriptions of heavy nuclei, ab initio modeling of \alpha α clustering and collectivity, as well as tests of beyond-the-standard-model physics. In addition, the Sp(3, \mathbb{R} ℝ ) and SU(3) symmetries provide relevant degrees of freedom that underpin the ab initio symmetry-adapted no-core shell model with the remarkable capability of reaching nuclei and reaction fragments beyond the lightest and close-to-spherical species.

Launey, Kristina D.↗

A catchment scale water balance model for FIFE

A catchment scale water balance model is presented and used to predict evaporation from the King's Creek catchment at the First ISLSCP Field Experiment site on the Konza Prairie, Kansas. The model incorporates spatial variability in topography, soils, and precipitation to compute the land surface hydrologic fluxes. A network of 20 rain gages was employed to measure rainfall across the catchment in the summer of 1987. These data were spatially interpolated and used to drive the model during storm periods. During interstorm periods the model was driven by the estimated potential evaporation, which was calculated using net radiation data collected at site 2. Model-computed evaporation is compared to that observed, both at site 2 (grid location 1916-BRS) and the catchment scale, for the simulation period from June 1 to October 9, 1987.

Famiglietti, J. S.↗

Physics Based Electrolytic Capacitor Degradation Models for Prognostic Studies under Thermal Overstress

Electrolytic capacitors are used in several applications ranging from power supplies on safety critical avionics equipment to power drivers for electro-mechanical actuators. This makes them good candidates for prognostics and health management research. Prognostics provides a way to assess remaining useful life of components or systems based on their current state of health and their anticipated future use and operational conditions. Past experiences show that capacitors tend to degrade and fail faster under high electrical and thermal stress conditions that they are often subjected to during operations. In this work, we study the effects of accelerated aging due to thermal stress on different sets of capacitors under different conditions. Our focus is on deriving first principles degradation models for thermal stress conditions. Data collected from simultaneous experiments are used to validate the desired models. Our overall goal is to derive accurate models of capacitor degradation, and use them to predict performance changes in DC-DC converters.

Kulkarni, Chetan S.↗

Physics Based Modeling and Prognostics of Electrolytic Capacitors

This paper proposes first principles based modeling and prognostics approach for electrolytic capacitors. Electrolytic capacitors have become critical components in electronics systems in aeronautics and other domains. Degradations and faults in DC-DC converter unit propagates to the GPS and navigation subsystems and affects the overall solution. Capacitors and MOSFETs are the two major components, which cause degradations and failures in DC-DC converters. This type of capacitors are known for its low reliability and frequent breakdown on critical systems like power supplies of avionics equipment and electrical drivers of electromechanical actuators of control surfaces. Some of the more prevalent fault effects, such as a ripple voltage surge at the power supply output can cause glitches in the GPS position and velocity output, and this, in turn, if not corrected will propagate and distort the navigation solution. In this work, we study the effects of accelerated aging due to thermal stress on different sets of capacitors under different conditions. Our focus is on deriving first principles degradation models for thermal stress conditions. Data collected from simultaneous experiments are used to validate the desired models. Our overall goal is to derive accurate models of capacitor degradation, and use them to predict performance changes in DC-DC converters.

Kulkarni, Chetan↗

Collective structures up to spin ~ 65hbar in the N = 90 isotones 158Er and 157Ho

A new collective band with high dynamic moment of inertia in 158Er at spins beyond band termination has been found in addition to the two previously reported ones. The measured transition quadrupole moments (Qt) of these three bands are very similar. These three bands have been suggested to possess a triaxial strongly deformed shape, based on comparisons with calculations using the cranked Nilsson-Strutinsky model and with tilted axis cranking calculations using the Skyrme-Hartree-Fock model. In addition, three collective bands with similar high dynamic moments of inertia, tentatively assigned to 157Ho, have been observed. Thus, it is suggested that all these structures share a common underlying character and that they are most likely associated with triaxial strongly deformed minima which are predicted to be close to the yrast line at spin 50 – 70hbar.

Wang, X.↗

Bayesian Evaluation Including Covariance Matrices of Neutron-induced Reaction Cross Sections of {sup 181}Ta

A new evaluation of neutron-induced reactions on {sup 181}Ta using a consistent procedure based on Bayesian statistics is presented. Starting point of the evaluation is the description of nuclear reactions via nuclear models implemented in TALYS 1.4. A retrieval of experimental data was performed and covariance matrices of the experiments were generated from an extensive study of the corresponding literature. All reaction channels required for a transport file up to 200 MeV have been considered and the covariance matrices of cross section uncertainties for the most important channels are determined. The evaluation has been performed in one step including all available experimental data. A comparison of the evaluated cross sections and spectra with experimental data and available evaluations is performed. In general the evaluated cross section reflect our best knowledge and give a fair description of the observables. However, there are few deviations from expectation which clearly indicate the impact of the prior and the need to account for model defects. Using the results of the evaluation a complete ENDF-file similarly to those of the TENDL library is generated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Lessons Learned from OSIRIS-Rex Autonomous Navigation Using Natural Feature Tracking

The Origins, Spectral Interpretation, Resource Identification, Security-Regolith Explorer (Osiris-REx) spacecraft is scheduled to launch in September, 2016 to embark on an asteroid sample return mission. It is expected to rendezvous with the asteroid, Bennu, navigate to the surface, collect a sample (July 20), and return the sample to Earth (September 23). The original mission design called for using one of two Flash Lidar units to provide autonomous navigation to the surface. Following Preliminary design and initial development of the Lidars, reliability issues with the hardware and test program prompted the project to begin development of an alternative navigation technique to be used as a backup to the Lidar. At the critical design review, Natural Feature Tracking (NFT) was added to the mission. NFT is an onboard optical navigation system that compares observed images to a set of asteroid terrain models which are rendered in real-time from a catalog stored in memory on the flight computer. Onboard knowledge of the spacecraft state is then updated by a Kalman filter using the measured residuals between the rendered reference images and the actual observed images. The asteroid terrain models used by NFT are built from a shape model generated from observations collected during earlier phases of the mission and include both terrain shape and albedo information about the asteroid surface. As a result, the success of NFT is highly dependent on selecting a set of topographic features that can be both identified during descent as well as reliably rendered using the shape model data available. During development, the OSIRIS-REx team faced significant challenges in developing a process conducive to robust operation. This was especially true for terrain models to be used as the spacecraft gets close to the asteroid and higher fidelity models are required for reliable image correlation. This paper will present some of the challenges and lessons learned from the development of the NFT system which includes not just the flight hardware and software but the development of the terrain models used to generate the onboard rendered images.

Navigation↗

Software Model Of Software-Development Process

Collection of computer programs constitutes software tool for simulation of medium- to large-scale software-development projects. Necessary to include easily identifiable and more-readily quantifiable characteristics like costs, times, and numbers of errors. Mathematical model incorporating these and other factors of dynamics of software-development process implemented in the Software Life Cycle Simulator (SLICS) computer program. Simulates dynamics of software-development process. In combination with input and output expert software systems and knowledge-based management software system, develops information for use in managing large software-development project. Intended to aid managers in planning, managing, and controlling software-development processes by reducing uncertainties in budgets, required personnel, and schedules.

Lin, Chi Y.↗

Data management for community research projects: A JGOFS case study

Since the mid 1980s, much of the marine science research effort in the United Kingdom has been focused into large scale collaborative projects involving public sector laboratories and university departments, termed Community Research Projects. Two of these, the Biogeochemical Ocean Flux Study (BOFS) and the North Sea Project incorporated large scale data collection to underpin multidisciplinary modeling efforts. The challenge of providing project data sets to support the science was met by a small team within the British Oceanographic Data Centre (BODC) operating as a topical data center. The role of the data center was to both work up the data from the ship's sensors and to combine these data with sample measurements into online databases. The working up of the data was achieved by a unique symbiosis between data center staff and project scientists. The project management, programming and data processing skills of the data center were combined with the oceanographic experience of the project communities to develop a system which has produced quality controlled, calibrated data sets from 49 research cruises in 3.5 years of operation. The data center resources required to achieve this were modest and far outweighed by the time liberated in the scientific community by the removal of the data processing burden. Two online project databases have been assembled containing a very high proportion of the data collected. As these are under the control of BODC their long term availability as part of the UK national data archive is assured. The success of the topical data center model for UK Community Research Project data management has been founded upon the strong working relationships forged between the data center and project scientists. These can only be established by frequent personal contact and hence the relatively small size of the UK has been a critical factor. However, projects covering a larger, even international scale could be successfully supported by a network of topical data centers managing online databases which are interconnected by object oriented distributed data management systems over wide area networks.

Lowry, Roy K.↗

A One-Dimensional Global-Scaling Erosive Burning Model Informed by Blowing Wall Turbulence

This paper makes no attempt to comprehensively review erosive burning models or the data collected in pursuit of them; the interested reader could begin with Landsbaum for a historical summary. However, a discussion and comparison to recent work by McDonald and Rettenmaier and Heister will be included, along with data generated by Strand, et. al. Suffice it to say that the search for a way to predict erosive burning in any size motor with formulas cleanly applicable to a typical 1D ballistics analysis has been long thwarted. Some models were based on testing that failed to adequately simulate the solid rocket motor environment. In most cases, no real‐time burn rate measurement was available. Two popular models, even when calibrated to recent motor‐like real‐time burn rate data obtained by Furfaro, were shown by McMillin to be inadequate at modeling erosive burning in the Space Shuttle Reusable Solid Rocket Motor (RSRM), the Space Launch Systems' Five‐Segment RSRM (RSRMV), and the five‐segment Engineering Test Motor (ETM)‐3. Subsequently to the data cited from Strand and Furfaro, additional motors of the same kind as Furfaro's were tested with RSRMV propellant, utilizing 7 segments per motor and 3 throat sizes. By measuring propellant web thickness with ultrasonic gages, the burn rate was determined at cross‐flow Mach numbers up to Mach 0.8. Furthermore, because of the different throat sizes in otherwise identical motors, this provides a unique look at the effect of pressure and base burn rate on the erosive response. Figure 1 shows example of the data pertaining to the high Mach motor, where the port area is initially less than the throat area. The burn rate data was processed using a smoothing method developed to reduce the noise without too severely introducing end effects that limit the range of useful data. Then, an empirical ballistics scheme was used to estimate the flow condition based on the burn rate measurements and pressure measured between each segment.

Kibbey, Timothy P.↗

A Corrosion Risk Assessment Model for Underground Piping

The Pressure Systems Manager at NASA Ames Research Center (ARC) has embarked on a project to collect data and develop risk assessment models to support risk-informed decision making regarding future inspections of underground pipes at ARC. This paper shows progress in one area of this project - a corrosion risk assessment model for the underground high-pressure air distribution piping system at ARC. It consists of a Corrosion Model of pipe-segments, a Pipe Wrap Protection Model; and a Pipe Stress Model for a pipe segment. A Monte Carlo simulation of the combined models provides a distribution of the failure probabilities. Sensitivity study results show that the model uncertainty, or lack of knowledge, is the dominant contributor to the calculated unreliability of the underground piping system. As a result, the Pressure Systems Manager may consider investing resources specifically focused on reducing these uncertainties. Future work includes completing the data collection effort for the existing ground based pressure systems and applying the risk models to risk-based inspection strategies of the underground pipes at ARC.

Datta, Koushik↗

Boundary-Aware Adversarial Learning Domain Adaption and Active Learning for Cross-Sensor Building Extraction

The use of convolutional neural networks (CNNs) for building extraction from remote sensing images has been widely studied and many public datasets have been made available for accelerating development of these CNN models. Yet adapting pretrained models at scale in real-world scenarios remains a challenging task. The main barrier is that certain new labels are still needed to compensate for domain shifting between the labeled data and new images that potentially cover new geographic locations or that are from a different sensor. In this article, we propose to add informatively labeled samples from a new image pool under the paradigm of active learning. To select the most useful samples based on model uncertainty, we first tackle the problem of uncalibrated uncertainty estimation due to distribution shifting by adapting feature extractors with boundary-based adversarial learning. Calibrated uncertainty is used as the query criterion in the active learning process, where the most uncertain samples are selected for annotation and included for model retraining. The proposed workflow was tested with three data pairs in which each workflow represents a scenario often encountered in real-world applications, including adapting pretrained models to new images collected with different sensors or to new geographic areas where appearances and types of buildings are very different. Compared to several baselines, including random sampling, temperature scaling (a well-known uncertainty calibration technique), different query strategies, and active domain adaptation methods, the proposed workflow shows that strategically querying a smaller set of samples for labeling achieves comparable or better building extraction performance. The proposed method reduces the number of labeled samples required to achieve sufficient model accuracy, thus significantly reducing hundreds of person-hours for labeled data creation. In addition, we include a few considerations when deploying this workflow in a GPU cluster that can be easily adapted to achieve operational building extraction model retraining.

97 MATHEMATICS AND COMPUTING↗

Simulation and Flight Test Data Collection Review for Supporting Phase 1 Detect and Avoid MOPS

RTCA Special Committee 228 is a consortium of government, industry, and academic organizations tasked to develop minimum operational performance standards for UAS detect and avoid systems. The UAS in the NAS (National Airspace System) project is studying the minimum operational performance standards for unmanned aerial systems (UAS's) detect-and-avoid (DAA) system in order to operate in the National Airspace System. Over the past 3 years, the project has executed a series of fast-time simulation, human-in-the-loop experiments, and flight tests in support of this effort. The purpose of this briefing is to summarize the models developed and data collected to overcome UAS integration barriers, so UAS can remain well clear of all traffic.

Santiago, Confesor↗

Towards predictive control of reversible nanoparticle assembly with solid-binding proteins

Although a broad range of ligand-functionalized nanoparticles and physico-chemical triggers have been exploited to create stimuli-responsive colloidal systems, little attention has been paid to the reversible assembly of unmodified nanoparticles with non-covalently bound proteins. Previously, we reported that a derivative of green fluorescent protein engineered with oppositely located silica-binding peptides mediates the repeated assembly and disassembly of 10-nm silica nanoparticles when pH is toggled between 7.5 and 8.5. We captured the subtle interplay between interparticle electrostatic repulsion and their protein-mediated short-range attraction with a multiscale model energetically benchmarked to collective system behavior captured by scattering experiments. Here, in this work, we show that both solution conditions (pH and ionic strength) and protein engineering (sequence and position of engineered silica-binding peptides) provide pathways for reversible control over growth and fragmentation, leading to clusters ranging in size from 25 nm protein-coated particles to micrometer-size aggregate. We further find that the higher electrolyte environment associated with successive cycles of base addition eventually eliminates reversibility. Our model accurately predicts these multiple length scales phenomena. The underpinning concepts provide design principles for the dynamic control of other protein- and particle-based nanocomposites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of the IBSAL-SimMOpt Method for the Optimization of Quality in a Corn Stover Supply Chain

Variability on the physical characteristics of feedstock has a relevant effect on the reactor’s reliability and operating cost. Most of the models developed to optimize biomass supply chains have failed to quantify the effect of biomass quality and preprocessing operations required to meet biomass specifications on overall cost and performance. The Integrated Biomass Supply Analysis and Logistics (IBSAL) model estimates the harvesting, collection, transportation, and storage cost while considering the stochastic behavior of the field-to-biorefinery supply chain. This paper proposes an IBSAL-SimMOpt (Simulation-based Multi-Objective Optimization) method for optimizing the biomass quality and costs associated with the efforts needed to meet conversion technology specifications. The method is developed in two phases. For the first phase, a SimMOpt tool that interacts with the extended IBSAL is developed. For the second phase, the baseline IBSAL model is extended so that the cost for meeting and/or penalization for failing in meeting specifications are considered. The IBSAL-SimMOpt method is designed to optimize quality characteristics of biomass, cost related to activities intended to improve the quality of feedstock, and the penalization cost. A case study based on 1916 farms in Ontario, Canada is considered for testing the proposed method. Analysis of the results demonstrates that this method is able to find a high-quality set of non-dominated solutions.

09 BIOMASS FUELS↗

Estimating the daily course of Konza Prairie latent heat fluxes using a modified Tergra model

Experimental tests of the Tergra-2 model are based on data collected under moderately wet to wet and very dry soil moisture conditions. Further testing of the model under intermediate soil moisture conditions is required and additional testing under very dry conditions may lead to modifications that make the model more suitable to water-stressed conditions. Combining the Tergra model with a soil evaporation routine should enhance the accuracy of the model and allow it to be employed in situations where vapor fluxes are not almost solely attributable to transpiration.

Hope, Allen S.↗

Search for multiply charged Heavy Stable Charged Particles in data collected with the CMS detector

Several models of new physics yield particles that are massive, long-lived, and have an electric charge, Q, greater than that of the electron, e. A search for evidence of such particles was performed using 5.0 fb -1 and 18.8 fb -1 of proton-proton collision data collected at √s = 7 TeV and √s = 8 TeV, respectively, with the Compact Muon Solenoid detector at the Large Hadron Collider. The distinctive detector signatures of these particles are that they are slow-moving and highly ionizing. Ionization energy loss and time-of- flight measurements were made using the inner tracker and the muon system, respectively. The search is sensitive to 1e ≤ |Q| ≤ 8e. Data were found to be consistent with standard model expectations and upper limits on the production cross section of these particles were computed using a Drell-Yan-like production model. Masses below 517, 687, 752, 791, 798, 778, 753, and 724 GeV are excluded for |Q| = 1e, 2e, 3e, 4e, 5e, 6e, 7e, and 8e, respectively.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗