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This software is an extension to OTM (Open Traffic Models), which is an open-source traffic simulator maintained at the Institute of Transportation Studies at U.C. Berkeley. OTM-MPI provides functionality for running OTM simulations in distributed computing environments. Its functionality includes min-cut division of traffic networks (using METIS), deployment of sub-networks on multiple compute nodes, and inter-node MPI communications.
A&WMA’s 114th Annual Conference & Exhibition, Virtual, June 14-17, 2021
This report summarizes the work carried out in furtherance of the NETL/DOE award, OTM-Enhanced Coal Syngas for Carbon Capture Power Systems and Fuel Synthesis Applications. The overall objective of the project was to further develop Oxygen Transport Membrane (OTM) technology and assess the potential for integration in coal power generation. OTM technology has the potential to enhance the quality of syngas produced by coal gasifiers, reduce the amount of cryogenic-derived oxygen required in Integrated Gasification Combined Cycle (IGCC) power plants, and allow for coal and natural gas integration. Process simulations and techno-economic analyses were carried out to estimate the cost and performance of OTM enhanced IGCC plants, IG-NGCC plants, and OTM enhanced Fischer Tropsch (FT) Liquids from coal and natural gas plants. The OTM enhanced power plants achieved higher carbon capture rates, higher efficiencies, and lower cost of electricity compared to the base cases. The most significant benefits were achieved for cases which used low rank coal as the feed. Fischer-Tropsch coal to liquids plants with iron-based catalysts and natural gas integration utilizing OTM technology showed improved carbon conversion, improved thermal efficiency and lower cost of production. With respect to OTM core technology development, significant advances have been made in several areas. The development and implementation of a third-generation membrane materials and manufacturing process has resulted in the availability of robust and reliable, high performance membranes, that can be manufactured at high yield. Progress towards the goal of higher pressure operation has been demonstrated with the development of improved metal-ceramic seals and components of the panel array module that integrate membrane-seal assemblies with primary and secondary reforming catalysts have been further developed and demonstrated. Work concluded with the successful start-up and operation of a multi-panel pilot-scale system which is the final step in technology development ahead of demonstration.
An Oxygen Transport Membrane (OTM) combined reforming technology for producing syngas and hydrogen integrates the advantages of multiple processes—steam methane reforming (SMR), autothermal reforming (ATR), an air separation unit (ASU)—into a single integrated technology. The OTM consists of a primary reforming tube, in which desulfurized natural gas is partially reformed by steam at high pressure in the presence of a metal catalyst. This process is followed in series by a ceramic OTM with a secondary reformer, in which residual methane reforms and O 2 - ions react with a portion of the CO and H 2 fuel to provide the heat to support both primary and secondary reforming. Although the OTM combined reformer technology for syngas and H 2 production has been substantially developed in the last decade, several challenges that affect the overall production efficiency and reliability are yet to be fully understood, addressed, and resolved. Therefore, developing Computational Fluid Dynamics (CFD) models that incorporate fluid dynamics, mass transport, kinetics, heat transport, and structural mechanics is critical to understanding and minimizing the probability of tube failures during the startup and operation. In this report, an exhaustive literature review was performed to survey the current state of technology for producing syngas and H 2 using either conventional or renewable energy sources. The feedstocks reviewed include natural gas and coal for the conventional technologies, whereas biomass, solar, wind, and nuclear energy for the renewable technologies. The existing industry-grade COMSOL multiphysics models of OTM were upgraded for the latest software release. In addition, they were improved to help achieve grid and solver independence and were successfully ported on the ORNL high-performance computing clusters to speed up their run times. A 42% reduction in the simulation run time was achieved. A new higher-fidelity CFD model of an OTM tube was developed in the StarCCM+ simulation platform. This new model was designed to simulate various physics using first principles, e.g., turbulent flow, heat transfer, and chemical reactions while avoiding unnecessary simplifications. The resulting predictions were qualitatively assessed and provided useful insights into the multiphysics complexity of an OTM tube.
This paper presents OTM-MPI, an extension of the Open Traffic Models platform (OTM) for running macroscopic traffic simulations in high-performance computing environments. OTM-MPI represents the first open-source, distributed-memory, macroscopic simulation model developed for modern high performance parallel machines and large networks. Macroscopic simulations are appropriate for studying regional traffic scenarios when aggregate trends are of interest, rather than individual vehicle traces. They are also appropriate for studying the routing behavior of classes of vehicles, such as app-informed vehicles. The network partitioning was performed with METIS. Inter-process communication was done with MPI (message-passing interface). Results are provided for two networks: one realistic network which was obtained from Open Street Maps for Chattanooga, TN, and another larger synthetic grid network. The software recorded a speedups of 198x using 256 cores for Chattanooga, and 475x with 1,024 cores for the synthetic network.
Praxair has been developing Oxygen Transport Membrane (OTM) systems for the efficient conversion of natural gas to syngas which can subsequently be used in chemical synthesis, generation of industrial gases (H2, CO) or synthesis of liquid fuels. One of the technical barriers for commercialization of this technology is the reliability of key components of OTM systems – Seals and Membranes. Praxair has been testing these components at the process conditions expected for commercial systems. However, long-term durability data is currently limited and is not sufficiently available to make well informed predictions of OTM reliability which represents one of the major risks that could prevent the technology from being fully commercialized. Pacific Northwest National Laboratory (PNNL) has been developing high temperature seals and ceramic membranes for applications similar to OTM systems such as Solid Oxide Fuel Cells. The goal of the cooperative development between Praxair and PNNL is to generate long-term data such that there is sufficient confidence in the OTM seal and membrane reliability predictions to enable the process technology to be fully commercialized.
The addition of 2 equiv of t Bu 2 PSiMe 3 to 2,6-pyridinedicarboxaldehyde ((CHO) 2 Py) results in a rac / meso diastereomeric mixture of the PNP-chelating ligand 2,6-bis((trimethylsiloxy)(di- tert -butylphosphino)-methyl)-pyridine ( (OTMS) PNP t Bu ) ( 1 - r / m ) via addition of the P–Si bond across both of the aldehyde C–O bonds. Chelation of (OTMS) PNP t Bu to FeCl 2 results in the same diastereotopic ratio of ( (OTMS) PNP t Bu )FeCl 2 ( 2- r / m ) as the free ligand. Fractional crystallization allows for the isolation of the C 2 isomer, 2- r , and a template synthesis protocol allows for the synthesis and isolation of the C s isomer, 2- m , in good yield. Furthermore, the template synthesis protocol was also expanded to the f -block with the use of UCl 4 in order to assess the specificity of the template synthesis on a larger metal cation. This reaction performed on UCl 4 forms the meso diastereospecific uranium complex ( ( t Bu2P) ONO)UCl 2 (dtbpy), 3 - m , with observation of the rational intermediate ( (OTMS) PNO t Bu )UCl 3 (dtbpy), 4 - m , which arose from the respective formation of two- or one-equivalents of TMS–Cl and formation of the corresponding U–O bond.
Ligands are the key to almost any strategy in the assembly of programmable nanocrystals (or nanoparticles) and must be accurately considered in any predictive model. Hard Spheres (or Shapes) provide the simplest and yet quite successful approach to assembly, with remarkable sophisticated predictions verified in experiments. There are, however, many situations where hard spheres/shapes predictions fail. This prompts three important questions: In what situations should hard spheres/shapes models be expected to work? and when they do not work, Is there a general model that successfully corrects hard sphere/shape predictions? and given other successful models where ligands are included explicitly, and of course, numerical simulations, can we unify hard sphere/shape models, explicit ligand models and all atom simulations? . Further, the Orbifold Topological Model (OTM) provides a positive answer to these three questions. In this paper, I give a detailed review of OTM, describing the concept of ligand vortices and how it leads to spontaneous valence and nanoparticle “eigenshapes” while providing a prediction of the lattice structure, without fitting parameters, which accounts for many body effects not captured by (two-body) potentials. I present a thorough survey of experiments and simulations and show that, to this date, they are in full agreement with the OTM predictions. I conclude with a discussion on whether NC superlattices are equilibrium structures and some significant challenges in structure prediction.
This paper is the first in a series that will examine image formation in optical systems with polarization aberrations. The present paper derives the point-spread function (PSF) and the optical transfer function for optical systems with polarization aberration and explores how image formation depends on the coherence and polarization state of the source. It is shown that the scalar PSF of Fourier optics can be generalized in the presence of polarization aberration to a 4 x 4 point-spread matrix (PSM) in Mueller matrix notation. A similar 4 x 4 optical transfer matrix (OTM) is shown to be an appropriate generalization of the optical transfer function. The PSM and the OTM are associated with the optical system and are independent of the incident polarization state but dependent on the coherence of the illumination. Since an optical system with polarization aberrations will have a different PSF and optical transfer function for different incident polarization states, the PSM and the OTM act as filters with regard to the incident polarization state. Example calculations are performed for a circularly retarding lens.
To keep Cassini on its complex trajectory, more than 200 orbit trim maneuvers (OTMs) have been planned from July 2004 to July 2010. With only a few days between many of these OTMs, the operations process of planning and executing the necessary commands had to be automated. The resulting Maneuver Automation Software (MAS) process minimizes the workforce required for, and maximizes the efficiency of, the maneuver design and uplink activities. The MAS process is a well-organized and logically constructed interface between Cassini's Navigation (NAV), Spacecraft Operations (SCO), and Ground Software teams. Upon delivery of an orbit determination (OD) from NAV, the MAS process can generate a maneuver design and all related uplink and verification products within 30 minutes. To date, all 112 OTMs executed by the Cassini spacecraft have been successful. MAS was even used to successfully design and execute a maneuver while the spacecraft was in safe mode.
A method of operating an oxygen transport membrane based reforming system employing one or more packs of thermally coupled panels of reformer tubes and oxygen transport membrane ("OTM") reactors close to thermo-neutral point is provided. The method produces syngas by converting a hydrocarbon-containing feed, such as natural gas in the reformer tubes of a pack by endothermic steam reforming reactions. The heat required for endothermic reforming reactions is provided by exothermic oxidizing reactions occurring inside the OTM reactors of the pack. At a thermo-neutral point the heat released by exothermic reactions matches the heat required to support endothermic reactions and heat losses in the pack. The method modulates the flow rate of hydrocarbon-containing feed and/or steam-to-carbon ratio of the combined feed to the pack to maintain the surface temperature of oxygen transport membrane reactors below a target maximum temperature. The syngas product oxygen-to-carbon ratio is maintained within a desired target range such that the OTM based reforming system is operated close to thermo-neutral point.
The effect of altering a gain parameter in the Cassini reaction control system (RCS) delta-V controller on the maneuver execution errors during orbit trim maneuvers (OTMs) is explored. Cassini consists of two reaction control thruster branches (A & B) each with eight thrusters. Currently, the B-branch is operational while the A-branch serves as a back-up. The four Z-thrusters control the X and Y-axes, while the four Y-thrusters control the Z-axis. During an OTM, the Z-thrusters fire to maintain the X and Y-axes pointing within an attitude control dead-zone (-10 to 10 milliradians). The errors do not remain at zero due to pointing error sources such as spacecraft center of mass offset from the geometric center of the Z-facing thrusters, and variability in the thruster forces due to the thruster hardware differences. The delta-V reaction control system (RCS) controller ensures that the attitude error remains within this dead-zone. Gain parameters within the RCS delta-V controller affect the maneuver execution errors. Different parameter values are used to explore effect on these errors. It is found that pointing error decreases and magnitude error increases rapidly for gain parameters 10 times greater than the current parameter values used in the flight software.
Perovskites such as doped lanthanum manganite and cobaltite have been used successfully as a cathode material in SOFC power systems operating between 700-1000°C. The electrodes, however, remain prone to degradation in presence of Cr containing gas atmosphere under systems operating conditions. Cathode in SOFCs is considered as one of the largest contributors of electrochemical performance degradations, leading to significant increase in ohmic and non-ohmic losses as well as interfacial compound formation. These degradations are mostly irreversible due to permanent changes to chemical and morphological alterations in the electrodes, resulting in the blockage of triple phase boundary (TPB) sites and decrease in oxygen reduction reactions (ORR). Fundamental mechanistic understanding has been developed to elucidate the reaction pathways of electrode poisoning in electronically conducting electrodes (LSM) as well as mixed ionic and electronically conducting electrodes (LSCF). The overall goal of this program has been identification and development of cost effective solutions to mitigate electrode degradations under “real world” systems operating conditions. The overall technological innovations and impact from this work are: The research provides an understanding of the degradation mechanism and cost-effective approaches for implementation in SOFC systems; Develop mitigation processes utilizing low cost getters using conventional synthesis and fabrication route; Develop tailored high surface area powders and coatings for high Cr capture capacity under systems operating conditions; >Developed computational models to understand mechanistic behavior; Experimentally measure rate of Cr evaporation from chromia and alumina forming alloys under SOFC operating conditions; Developed conditions to minimize Cr evaporation from balance-of-plant alloys; This innovation will support the development of getter platform to capture both intrinsic and extrinsic impurities present in air; and, Applications under wide operating temperature range (500-900°C) as well for wide high-temperature electrochemical systems (SOFC, SOEC, and OTM). The work has been successfully developed, validated experimentally and implemented. Successful technology transfer of this knowledge with industrial partners has been accomplished and the getters have been independently tested and validated under their systems operating conditions. The innovation will also find application in related high temperature electrochemical systems such as OTM and SOEC for the prevention of Cr assisted performance degradation. The proposed approach for Cr capture can also be applied to oxy-combustion and other advanced combustion techniques for the reduction of Cr vapor in the exhaust gas stream. This fundamental knowledge gained also has led to the path forward for developing advanced getters for capturing more than one contaminant in air.
Researchers have utilized Other Test Method (OTM) 33A to quantify methane emissions from natural gas infrastructure. Historically, errors have been reported based on a population of measurements compared to known controlled releases of methane. These errors have been reported as 2σ errors of ±70%. However, little research has been performed on the minimum attainable uncertainty of any one measurement. We present two methods of uncertainty estimation. The first was the measurement uncertainty of the state-of-the-art equipment, which was determined to be ±3.8% of the estimate. This was determined from bootstrapped measurements compared to controlled releases. The second approach of uncertainty estimation was a modified Hollinger and Richardson (H&R) method which was developed for quantifying the uncertainty of eddy covariance measurements. Using a modified version of this method applied to OTM 33A measurements, it was determined that uncertainty of any given measurement was ±17%. Combining measurement uncertainty with that of stochasticity produced a total minimum uncertainty of 17.4%. Due to the current nature of stationary single-sensor measurements and the stochasticity of atmospheric data, such uncertainties will always be present. This is critical in understanding the transport of methane emissions and indirect measurements obtained from the natural gas industry.
Premature creep failures at the intercritical heat affected zone (ICHAZ) of creep-resistant steel weldments have been frequently reported. However, the creep degradation mechanism of different microstructure constituents in ICHAZ is complicated and needs further clarification. In this work, Grade 91 steel was intercritically heat-treated at a temperature (860 °C) between the critical temperatures AC1 and AC3, and a correlation between microstructure and mechanical properties of the heat-treated specimen was built. The effects of austenitization and tempering resulting from the intercritical treatment (IT) differentiated the local strain energies between the two microstructure constituents: newly transformed martensite (NTM) and over-tempered martensite (OTM). The formation of NTM grains led to a hardness increase from 247 HV0.5 in the base metal to 332 HV0.5 in the IT specimen. The ultimate tensile strength (UTS) increased from 739 MPa in the base metal to 1054 MPa in the IT specimen. Extensive growth of the OTM grains and rapid recovery of NTM grains took place simultaneously in the IT specimen during a typical tempering at 760 °C. These microstructure degradations led to a lowered hardness of 178 HV0.5, a reduced UTS of 596 MPa, and a poor creep resistance with a minimum creep strain rate of 0.49 %/h at 650 °C in an IT + tempering (ITT) specimen.
These presentation viewgraphs shows the engineering operations that have contributed to the unprecedented scientific success of the Cassini and Huygens missions, and how engineering operations are planned and implemented in concert with the required sequence of science observations. Frequent Orbit Trim Maneuvers (OTM) keep Cassini on the correct trajectory to complete the planned Saturn Tour. Considerable effort has been invested in detailed planning of the complete set of science observations associated with this Tour, so a robust OTM strategy is necessary to protect this investment by ensuring the spacecraft keeps to the planned trajectory.
The Cassini Spacecraft was launched in October 1997 on a mission to observe Saturn and its moons; it entered orbit around Saturn in July 2004 for a nominal four-year Prime Mission, later augmented by two extensions: the Equinox Mission, from July 2008 through September 2010, and the Solstice Mission, from October 2010 through September 2017. This paper provides an overview of the maneuver activities from August 2011 through June 2012 which include the design of 38 Orbit Trim Maneuvers--OTM-288 through OTM-326-- for attaining 14 natural satellite encounters: seven with Titan, six with Enceladus, and one with Dione.
The Cassini-Huygens spacecraft was launched in 1997 as an international and collaborative mission to study Saturn and its many moons. After a seven-year cruise, Cassini began orbiting Saturn for a four- year tour. This tour consists of 157 planned maneuvers, and their back-up locations, designed to target 52 encounters, mostly of Saturn's largest moon Titan. One of the mission's first activities was to release the Huygens probe to Titan in December 2004. Currently in its last year of the prime mission, Cassini-Huygens continues to obtain valuable data on Saturn, Titan, and Saturn's other satellites. Return of this information is in large part due to a healthy spacecraft and successful navigation. A two-year extended mission, beginning July 2008, will offer the opportunity to continue science activities. With a demanding navigation schedule that compares with the prime tour, the Cassini Navigation team relies on operations procedures developed during the prime mission to carry-out the extended mission objectives. Current processes for orbit control operations evolved from the primary navigational requirement of staying close to predetermined targeting conditions according to Cassini science sequence planning. The reference trajectory is comprised of flyby conditions to be accomplished at minimal propellant cost. Control of the planned reference trajectory orbit, and any trajectory updates, is achieved with the execution of Orbit Trim Maneuvers (OTMs). The procedures for designing, processing, and analyzing OTMs during Cassini operations is presented. First, a brief overview of the Cassini-Huygens Mission is given, followed by a general description of navigation. Orbit control and maneuver execution methods are defined, along with an outline of the orbit control staffing and operations philosophy. Finally, an example schedule of orbit control operations is shown.