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DOE OSTI2018

Development and evaluation of a variably saturated flow model in the global E3SM Land Model (ELM) version 1.0

Abstract. Improving global-scale model representations of near-surface soil moisture and groundwater hydrology is important for accurately simulating terrestrial processes and predicting climate change effects on water resources. Most existing land surface models, including the default E3SM Land Model (ELMv0), which we modify here, routinely employ different formulations for water transport in the vadose and phreatic zones. Clark et al. (2015) identified a variably saturated Richards equation flow model as an important capability for improving simulation of coupled soil moisture and shallow groundwater dynamics. In this work, we developed the Variably Saturated Flow Model (VSFM) in ELMv1 to unify the treatment of soil hydrologic processes in the unsaturated and saturated zones. VSFM was tested on three benchmark problems and results were evaluated against observations and an existing benchmark model (PFLOTRAN). The ELMv1-VSFM's subsurface drainage parameter, fd, was calibrated to match an observationally constrained and spatially explicit global water table depth (WTD) product. Optimal spatially explicit fd values were obtained for 79 % of global 1.9∘ × 2.5∘ grid cells, while the remaining 21 % of global grid cells had predicted WTD deeper than the observationally constrained estimate. Comparison with predictions using the default fd value demonstrated that calibration significantly improved predictions, primarily by allowing much deeper WTDs. Model evaluation using the International Land Model Benchmarking package (ILAMB) showed that improvements in WTD predictions did not degrade model skill for any other metrics. We evaluated the computational performance of the VSFM model and found that the model is about 30 % more expensive than the default ELMv0 with an optimal processor layout. The modular software design of VSFM not only provides flexibility to configure the model for a range of problem setups but also allows for building the model independently of the ELM code, thus enabling straightforward testing of the model's physics against other models.

58 GEOSCIENCES↗

NASA NTRSDate not supplied

Comparison of Boeing 777 Landing Gear Noise Simulations with Flight Test Data

Acoustic phased microphone array measurements of aircraft flyover noise acquired during the 2005 Quiet Technology Demonstrator II test were used to assess the accuracy of high-fidelity, full-scale simulations of landing gear noise produced by a large civilian aircraft. The simulations, conducted with the lattice Boltzmann solver PowerFLOW®, used a highly accurate digital model of a Boeing 777-300ER aircraft with the nose and main landing gear components replicating the full-scale geometries. The simulations were performed for aircraft parameters that matched those recorded during the flyover test conditions. For benchmarking purposes, several aircraft configurations were simulated: a) nose landing gear deployed with main landing gear and wing high-lift devices stowed, b) nose and main landing gear deployed with wing high-lift devices stowed and c) nose and main landing gear with wing high-lift devices deployed. To facilitate direct comparison with measured data, the simulated data sets were used to generate synthetic pressure records at the same array microphone locations as those used during the flight test. Broadly self-consistent beamforming techniques and procedures were used to process the synthetic pressure records and the measured data. Integration of select regions of the beamform maps containing the nose or main landing gear yielded good agreement between predicted and measured integrated far-field spectra for forward directivity angles where airframe noise is more prominent.

airframe noise↗

DOE OSTI2017

Exactly energy conserving semi-implicit particle in cell formulation

We report a new particle in cell (PIC) method based on the semi-implicit approach. The novelty of the new method is that unlike any of its semi-implicit predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. Recent research has presented fully implicit methods where energy conservation is obtained as part of a non-linear iteration procedure. The new method (referred to as Energy Conserving Semi-Implicit Method, ECSIM), instead, does not require any non-linear iteration and its computational cycle is similar to that of explicit PIC. The properties of the new method are: i) it conserves energy exactly to round-off for any time step or grid spacing; ii) it is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency and allowing the user to select any desired time step; iii) it eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length; iv) the particle mover has a computational complexity identical to that of the explicit PIC, only the field solver has an increased computational cost. The new ECSIM is tested in a number of benchmarks where accuracy and computational performance are tested. - Highlights: • We present a new fully energy conserving semi-implicit particle in cell (PIC) method based on the implicit moment method (IMM). The new method is called Energy Conserving Implicit Moment Method (ECIMM). • The novelty of the new method is that unlike any of its predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. • The new method is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency. • The new method eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length. • These features are achieved at a reduced cost compared with either previous IMM or fully implicit implementation of PIC.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Cryogenic Carbon Capture Development (Final Report)

This project extends and leverages the work completed under funding from ARPA-E and other sources by exploring aspects of the Cryogenic Carbon Capture™ (CCC) process and issues discovered during those projects, but that were not within the scope or budget of previous projects or that became apparent during field tests. Our successful completion of the tasks outlined in this project has increased the reliability, efficiency, and scalability of the CCC process and we are better prepared for pilot-scale testing. The first phase of this project improved key areas of the process through iterative design and experiment, culminating with recommendations for improvements to the existing skid-scale system developed under non-federal funding. The second phase of this project implemented the improved unit operations into the Cryogenic Carbon Capture External Cooling Loop (CCC ECL™) skid and field tests the improved system at a coal-fired power plant. The specific areas of work in this project are: Budget Period 1: 1) Selection of the most energy-efficient drying system for ambient-pressure flue gas. Sustainable Energy Solutions, LLC (SES) has successfully demonstrated a dryer that removes bulk water using a low-temperature brine to remove about 99% of the water followed by a mol sieve 3A desiccant dryer to remove the remaining 1% water; 2) Selection and demonstration of efficient solution to fouling due to dissolved CO 2 . SES has tested several commercial heat exchangers that purport to be able to handle fouling issues similar to those experienced in the contact liquid chiller. Replicated tests using the CCC ECL™ skid and dimpled brazed plate heat exchangers demonstrate that quick throttling of refrigerant combined with a burst of clean gas mitigate the fouling caused by CO 2 solubility in contact liquid with only minor increases in parasitic load. SES models indicate that parasitic load would increase by approximately 0.0125 GJ/tonne, an order of magnitude less than what was determined to be the maximum allowable additional parasitic load caused by this system; 3) Selection and demonstration of efficient and scalable solid–liquid separation system. The screw press technology met or exceeded the 70% solids loading benchmark during several test runs exceeding 24 hours on the CCC ECL™ skid. The average solids loading during the entire 50-hour run was 67%. The energy demand for this system is less than 0.1 GJ e /tonne of CO 2 processed; 4) Optimize design and demonstration of patented desublimating heat exchangers. We designed and built a hybrid spray tower that was tested over many hundreds of hours and a 50-hour continuous test run was completed capturing over 0.5 tonne CO 2 /day at >90% capture; (5) Plan for safe dilution of oxygen-depleted, cleaned flue-gas stream. The AERSCREEN simulator developed by the EPA modeled the dispersion of oxygen-depleted flue gas from the CCC process at a commercial plant. The results indicate that this plan effectively mitigates the flue gas hazards; (6) Simulation of and experimental work related to multi-pollutant capture. SES programmed an upgrade to its solid/vapor/liquid equilibrium (SVLE) algorithm. This enables simultaneous modeling of multiple pollutants (i.e., CO 2 , SO x , NO x , Hg, HCl). Budget Period 2; (7) Modify the CCC ECL™ skid for field testing and complete shakedown testing. The plans for modifying the CCC ECL™ skid were finalized and put into place. Shakedown testing of the updated CCC ECL™ skid occurred at SES using closed-loop mode (i.e., using a synthetic flue gas consisting of only N 2 and CO 2 ) and at the Hunter Power Plant using flue gas from the coal-fired boiler. Shakedown testing took longer than expected due to delays in receiving equipment and unexpected equipment performance in the field; (8) Operate the CCC ECL™ skid in the field. Longer testing of the CCC ECL™ skid occurred at the Hunter Power Plant. Multiple tests exceeding 35 hours were completed, with a total of over 600 hours of CO 2 capture completed using flue gas at the Hunter Power Plant with an average CO 2 capture rate of over 91% during those hours. Extensive notes and documentation were acquired informing improved methods for controls, startup, operation, and shut down; (9) Determine figures of merit and quantify process improvement. SES defined figures of merit for unit operation performance and overall CCC ECL™ process performance. All figures of merit were achieved or surpassed, except for 500 continuous hours of demonstration at the Hunter Power Plant; (10) Complete an Environmental Health and Safety Risk assessment by a third party. Tri-State completed an Environmental Health and Safety Risk assessment; (11) Update techno-economic analysis with third-party validation. The techno-economic analysis has been completed. It confirms the potential large reduction in energy and cost of the CCC process compared with leading alternatives and that the estimates and estimation techniques are reliable.

20 FOSSIL-FUELED POWER PLANTS↗

NASA NTRS1991

Collected notes from the Benchmarks and Metrics Workshop

In recent years there has been a proliferation of proposals in the artificial intelligence (AI) literature for integrated agent architectures. Each architecture offers an approach to the general problem of constructing an integrated agent. Unfortunately, the ways in which one architecture might be considered better than another are not always clear. There has been a growing realization that many of the positive and negative aspects of an architecture become apparent only when experimental evaluation is performed and that to progress as a discipline, we must develop rigorous experimental methods. In addition to the intrinsic intellectual interest of experimentation, rigorous performance evaluation of systems is also a crucial practical concern to our research sponsors. DARPA, NASA, and AFOSR (among others) are actively searching for better ways of experimentally evaluating alternative approaches to building intelligent agents. One tool for experimental evaluation involves testing systems on benchmark tasks in order to assess their relative performance. As part of a joint DARPA and NASA funded project, NASA-Ames and Teleos Research are carrying out a research effort to establish a set of benchmark tasks and evaluation metrics by which the performance of agent architectures may be determined. As part of this project, we held a workshop on Benchmarks and Metrics at the NASA Ames Research Center on June 25, 1990. The objective of the workshop was to foster early discussion on this important topic. We did not achieve a consensus, nor did we expect to. Collected here is some of the information that was exchanged at the workshop. Given here is an outline of the workshop, a list of the participants, notes taken on the white-board during open discussions, position papers/notes from some participants, and copies of slides used in the presentations.

Drummond, Mark E.↗

NASA NTRS2001

Fluctuating Pressure Data from 2-D Nozzle Cold Flow Tests (Dual Bell)

Rocket engines nozzle performance changes as a vehicle climbs through the atmosphere. An altitude compensating nozzle, ACN, is intended to improve on a fixed geometry bell nozzle that performs at optimum at only one trajectory point. In addition to nozzle performance, nozzle transient loads are an important consideration. Any nozzle experiences large transient toads when shocks pass through the nozzle at start and shutdown. Additional transient toads will occur at transitional flow conditions. The objectives of cold flow nozzle testing at MSFC are CFD benchmark / calibration and Unsteady flow / sideloads. Initial testing performed with 2-D inserts to 14" transonic wind tunnel. Recent review of 2-D data in preparation for nozzle test facility 3-D testing. This presentation shows fluctuating pressure data and some observations from 2-D dual-bell nozzle cold flow tests.

Nesman, Tomas E.↗

DOE OSTI2018

Development of Ultra-Fine Multigroup Cross Section Library of the AMPX/SCALE Code Packages

The Consortium for Advanced Simulation of Light Water Reactors Virtual Environment for Reactor Applications (VERA) neutronic simulator MPACT is being developed by Oak Ridge National Laboratory and the University of Michigan for various reactor applications. The MPACT and simplified MPACT 51- and 252-group cross section libraries have been developed for the MPACT neutron transport calculations by using the AMPX and Standardized Computer Analyses for Licensing Evaluations (SCALE) code packages developed at Oak Ridge National Laboratory. It has been noted that the conventional AMPX/SCALE procedure has limited applications for fast-spectrum systems such as boiling water reactor (BWR) fuels with very high void fractions and fast reactor fuels because of its poor accuracy in unresolved and fast energy regions. This lack of accuracy can introduce additional error sources to MPACT calculations, which is already limited by the Bondarenko approach for resolved resonance self-shielding calculation. To enhance the prediction accuracy of MPACT for fast-spectrum reactor analyses, the accuracy of the AMPX/SCALE code packages should be improved first. The purpose of this study is to identify the major problems of the AMPX/SCALE procedure in generating fast-spectrum cross sections and to devise ways to improve the accuracy. For this, various benchmark problems including a typical pressurized water reactor fuel, BWR fuels with various void fractions, and several fast reactor fuels were analyzed using the AMPX 252-group libraries. Isotopic reaction rates were determined by SCALE multigroup (MG) calculations and compared with continuous energy (CE) Monte Carlo calculation results. This reaction rate analysis revealed three main contributors to the observed differences in reactivity and reaction rates: (1) the limitation of the Bondarenko approach in coarse energy group structure, (2) the normalization issue of probability tables, and (3) neglect of the self-shielding effect of resonance-like cross sections at high energy range such as (n,p) cross section of Cl35. The first error source can be eliminated by an ultra-fine group (UFG) structure in which the broad scattering resonances of intermediate-weight nuclides can be represented accurately by a piecewise constant function. A UFG AMPX library was generated with modified probability tables and tested against various benchmark problems. The reactivity and reaction rates determined with the new UFG AMPX library agreed very well with respect to Monte Carlo Neutral Particle (MCNP) results. To enhance the lattice calculation accuracy without significantly increasing the computational time, performing the UFG lattice calculation in two steps was proposed. In the first step, a UFG slowing-down calculation is performed for the corresponding homogenized composition, and UFG cross sections are collapsed into an intermediate group structure. In the second step, the lattice calculation is performed for the intermediate group level using the condensed group cross sections. A preliminary test showed that the condensed library reproduces the results obtained with the UFG cross section library. This result suggests that the proposed two-step lattice calculation approach is a promising option to enhance the applicability of the AMPX/SCALE system to fast system analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Discrete fracture network model benchmarks developed and applied in a DECOVALEX-2023 repository performance assessment study

This study presents newly developed benchmarks for modeling flow and transport within discrete fracture networks (DFNs) and useful methods for analyzing the results. The new benchmarks are designed to test modeling approaches for use in probabilistic performance assessment models of deep geologic repositories in fractured rock. The benchmarks simulate flow and transport through a 1 km 3 block of fractured rock. The first simulates migration of a short pulse of tracer through a simple network of four intersecting fractures. The second adds 1089 stochastically generated fractures. The third changes the pulse to a continuous point source. Evaluation of model performance relies on moment analysis and comparison of the results of different models. The expected nondimensional first moment of the conservative tracer for each benchmark is 1. The benchmarks were simulated by teams from Canada, Czechia, Germany, Korea, Sweden, Taiwan, and the United States as part of a DECOVALEX-2023 study (decovalex.org). The teams used various approaches, including explicit DFN modeling, DFN upscaling to an equivalent continuous porous medium (ECPM), and a combination of both methods. Transport mechanisms are modeled using either the advection-dispersion equation or particle tracking. Results demonstrate strong agreement among the models in breakthrough behavior up to the 75th percentile. Significant deviations in first moments and well-clustered outputs led to the identification of inaccuracies in several models. Such findings exemplify the benefit of exercising these benchmarks and using the presented methods to test DFN flow and transport models.

Benchmark↗

DOE OSTI2018

Advanced Data Structures for Improved Cyber Resilience and Awareness in Untrusted Environments: LDRD Report

This report summarizes the work performed under the project "Advanced Data Structures for Improved Cyber Resilience and Awareness in Untrusted Environments." The goal of the project was to design, analyze, and test new data structures for cybersecurity applications. We had two major thrusts: 1) using new/improved write-optimized data structures and/or algorithms to better man- age and analyze high-speed massive-volume cyberstreams, and 2) adding security features to data structures at minimum cost. Write optimization allows data structures to better use secondary memory to store and search a larger amount of useful information. Secondary memory is large compared to main memory, but data movement to and from secondary memory must be carefully managed to run quickly enough to keep up with fast streams. The first thrust included managing cyberstreams in parallel, both multi-threaded and distributed, and improving the benchmarking infrastructure for testing new streaming data structures. We considered both (near) real-time discovery of particular patterns, and improved logging for improved forensics. We considered two kinds of security-feature problem. The first was high-performance history- independent external-memory data structures. These provide certain protections to data if a disk is stolen. We also prove some trade-offs between speed and security in this setting. The second data-security problem is more secure data look-up in secret-shared data bases. This report summarizes the project's major accomplishments, with the background to under- stand these accomplishments. It gathers the abstracts and references for the six refereed publications that have appeared as part of this work. We summarize several accomplishments that will be submitted for publication. We then archive one piece of partial work that is not likely to be published in the near future: validation of history-independent data structure implementations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

miniVite: A Graph Analytics Benchmarking Tool for Massively Parallel Systems

Benchmarking of high performance computing sys-tems can help provide critical insights for ef?cient design of computing systems and software applications. Although a large number of tools for benchmarking exist, there is a lack of rep-resentative benchmarks for the class of irregular computations as exempli?ed by graph analytics. In this paper, we propose miniVite as a representative graph analytics benchmark tool to test a variety of distributed-memory systems. Graph clustering, popularly known as community detection, is a prototypical graph operation used in numerous scienti?c computing and analytics applications. The goal of clustering is to partition a graph into clusters (or communities) such that each cluster consists of vertices that are densely connected within the cluster and sparsely connected to the rest of the graph. Modu-larity optimization is a popular technique for identifying clusters in a graph. Ef?cient parallelization of modularity optimization-based algorithms is challenging. One successful approach was conceived in Vite, a distributed-memory implementation of the Louvain algorithm that incorporates several heuristics. We introduce miniVite as a representative but simpli?ed variant of Vite, to serve as a prototypical graph analytics benchmarking tool. Unlike other graph-based methods such as breadth-?rst search and betweenness centrality, miniVite represents highly complex computational patterns stressing a variety of system features, which can provide crucial insight for co-design of future computing systems.

community detection, parallel, MPI↗

DOE OSTI2016

Note: The performance of new density functionals for a recent blind test of non-covalent interactions

Benchmark datasets of non-covalent interactions are essential for assessing the performance of density functionals and other quantum chemistry approaches. In a recent blind test, Taylor et al. benchmarked 14 methods on a new dataset consisting of 10 dimer potential energy curves calculated using coupled cluster with singles, doubles, and perturbative triples (CCSD(T)) at the complete basis set (CBS) limit (80 data points in total). Finally, the dataset is particularly interesting because compressed, near-equilibrium, and stretched regions of the potential energy surface are extensively sampled.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

SO(3)-invariance of informed-graph-based deep neural network for anisotropic elastoplastic materials

This work examines the frame-invariance (and the lack thereof) exhibited in simulated anisotropic elasto-plastic responses generated from supervised machine learning of classical multi-layer and informed-graph-based neural networks, and proposes different remedies to fix this drawback. The inherent hierarchical relations among physical quantities and state variables in an elasto-plasticity model are first represented as informed, directed graphs, where three variations of the graph are tested. While feed-forward neural networks are used to train path-independent constitutive relations (e.g., elasticity), recurrent neural networks are used to replicate responses that depends on the deformation history, i.e. or path dependent. In dealing with the objectivity deficiency, we use the spectral form to represent tensors and, subsequently, three metrics, the Euclidean distance between the Euler Angles, the distance from the identity matrix, and geodesic on the unit sphere in Lie algebra, can be employed to constitute objective functions for the supervised machine learning. In this, the aim is to minimize the measured distance between the true and the predicted 3D rotation entities. Following this, we conduct numerical experiments on how these metrics, which are theoretically equivalent, may lead to differences in the efficiency of the supervised machine learning as well as the accuracy and robustness of the resultant models. Neural network models trained with tensors represented in component form for a given Cartesian coordinate system are used as a benchmark. Our numerical tests show that, even given the same amount of information and data, the quality of the anisotropic elasto-plasticity model is highly sensitive to the way tensors are represented and measured. The results reveal that using a loss function based on geodesic on the unit sphere in Lie algebra together with an informed, directed graph yield significantly more accurate rotation prediction than the other tested approaches.

42 ENGINEERING↗

NASA NTRS2000

Use Computer-Aided Tools to Parallelize Large CFD Applications

Porting applications to high performance parallel computers is always a challenging task. It is time consuming and costly. With rapid progressing in hardware architectures and increasing complexity of real applications in recent years, the problem becomes even more sever. Today, scalability and high performance are mostly involving handwritten parallel programs using message-passing libraries (e.g. MPI). However, this process is very difficult and often error-prone. The recent reemergence of shared memory parallel (SMP) architectures, such as the cache coherent Non-Uniform Memory Access (ccNUMA) architecture used in the SGI Origin 2000, show good prospects for scaling beyond hundreds of processors. Programming on an SMP is simplified by working in a globally accessible address space. The user can supply compiler directives, such as OpenMP, to parallelize the code. As an industry standard for portable implementation of parallel programs for SMPs, OpenMP is a set of compiler directives and callable runtime library routines that extend Fortran, C and C++ to express shared memory parallelism. It promises an incremental path for parallel conversion of existing software, as well as scalability and performance for a complete rewrite or an entirely new development. Perhaps the main disadvantage of programming with directives is that inserted directives may not necessarily enhance performance. In the worst cases, it can create erroneous results. While vendors have provided tools to perform error-checking and profiling, automation in directive insertion is very limited and often failed on large programs, primarily due to the lack of a thorough enough data dependence analysis. To overcome the deficiency, we have developed a toolkit, CAPO, to automatically insert OpenMP directives in Fortran programs and apply certain degrees of optimization. CAPO is aimed at taking advantage of detailed inter-procedural dependence analysis provided by CAPTools, developed by the University of Greenwich, to reduce potential errors made by users. Earlier tests on NAS Benchmarks and ARC3D have demonstrated good success of this tool. In this study, we have applied CAPO to parallelize three large applications in the area of computational fluid dynamics (CFD): OVERFLOW, TLNS3D and INS3D. These codes are widely used for solving Navier-Stokes equations with complicated boundary conditions and turbulence model in multiple zones. Each one comprises of from 50K to 1,00k lines of FORTRAN77. As an example, CAPO took 77 hours to complete the data dependence analysis of OVERFLOW on a workstation (SGI, 175MHz, R10K processor). A fair amount of effort was spent on correcting false dependencies due to lack of necessary knowledge during the analysis. Even so, CAPO provides an easy way for user to interact with the parallelization process. The OpenMP version was generated within a day after the analysis was completed. Due to sequential algorithms involved, code sections in TLNS3D and INS3D need to be restructured by hand to produce more efficient parallel codes. An included figure shows preliminary test results of the generated OVERFLOW with several test cases in single zone. The MPI data points for the small test case were taken from a handcoded MPI version. As we can see, CAPO's version has achieved 18 fold speed up on 32 nodes of the SGI O2K. For the small test case, it outperformed the MPI version. These results are very encouraging, but further work is needed. For example, although CAPO attempts to place directives on the outer- most parallel loops in an interprocedural framework, it does not insert directives based on the best manual strategy. In particular, it lacks the support of parallelization at the multi-zone level. Future work will emphasize on the development of methodology to work in a multi-zone level and with a hybrid approach. Development of tools to perform more complicated code transformation is also needed.

Jin, H.↗

DOE OSTI2015

Electron-beam-ion-source (EBIS) modeling progress at FAR-TECH, Inc

FAR-TECH, Inc. has been developing a numerical modeling tool for Electron-Beam-Ion-Sources (EBISs). The tool consists of two codes. One is the Particle-Beam-Gun-Simulation (PBGUNS) code to simulate a steady state electron beam and the other is the EBIS-Particle-In-Cell (EBIS-PIC) code to simulate ion charge breeding with the electron beam. PBGUNS, a 2D (r,z) electron gun and ion source simulation code, has been extended for efficient modeling of EBISs and the work was presented previously. EBIS-PIC is a space charge self-consistent PIC code and is written to simulate charge breeding in an axisymmetric 2D (r,z) device allowing for full three-dimensional ion dynamics. This 2D code has been successfully benchmarked with Test-EBIS measurements at Brookhaven National Laboratory. For long timescale (< tens of ms) ion charge breeding, the 2D EBIS-PIC simulations take a long computational time making the simulation less practical. Most of the EBIS charge breeding, however, may be modeled in 1D (r) as the axial dependence of the ion dynamics may be ignored in the trap. Where 1D approximations are valid, simulations of charge breeding in an EBIS over long time scales become possible, using EBIS-PIC together with PBGUNS. Initial 1D results are presented. The significance of the magnetic field to ion dynamics, ion cooling effects due to collisions with neutral gas, and the role of Coulomb collisions are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

The Curious Case of KOI 4: Confirming Kepler’s First Exoplanet Detection

The discovery of thousands of planetary systems by Kepler has demonstrated that planets are ubiquitous. However, a major challenge has been the confirmation of Kepler planet candidates, many of which still await confirmation. One of the most enigmatic examples is KOI 4.01, Kepler’s first discovered planet candidate detection (as KOI 1.01, 2.01, and 3.01 were known prior to launch). Here we present the confirmation and characterization of KOI 4.01 (now Kepler-1658), using a combination of asteroseismology and radial velocities. Kepler-1658 is a massive, evolved subgiant (M {sub ⋆} = 1.45 ± 0.06 M {sub ⊙}, R {sub ⋆} = 2.89 ± 0.12 R {sub ⊙}) hosting a massive (M{sub p} = 5.88 ± 0.47 M{sub J}, R{sub p} = 1.07 ± 0.05 R{sub J}) hot Jupiter that orbits every 3.85 days. Kepler-1658 joins a small population of evolved hosts with short-period (≤100 days) planets and is now the closest known planet in terms of orbital period to an evolved star. Because of its uniqueness and short orbital period, Kepler-1658 is a new benchmark system for testing tidal dissipation and hot Jupiter formation theories. Using all four years of the Kepler data, we constrain the orbital decay rate to be P-dot ≤ −0.42 s yr{sup −1}, corresponding to a strong observational limit of Q{sub ⋆}{sup ′} ≥ 4.826 × 10{sup 3} for the tidal quality factor in evolved stars. With an effective temperature of T{sub eff} ∼ 6200 K, Kepler-1658 sits close to the spin–orbit misalignment boundary at ∼6250 K, making it a prime target for follow-up observations to better constrain its obliquity and to provide insight into theories for hot Jupiter formation and migration.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2010

Low Temperature Combustion Demonstrator for High Efficiency Clean Combustion

The project which extended from November 2005 to May of 2010 demonstrated the application of Low Temperature Combustion (LTC) with engine out NOx levels of 0.2 g/bhp-hr throughout the program target load of 12.6bar BMEP. The project showed that the range of loads could be extended to 16.5bar BMEP, therefore matching the reference lug line of the base 2007 MY Navistar 6.4L V8 engine. Results showed that the application of LTC provided a dramatic improvement over engine out emissions when compared to the base engine. Furthermore LTC improved thermal efficiency by over 5% from the base production engine when using the steady state 13 mode composite test as a benchmark. The key enablers included improvements in the air, fuel injection, and cooling systems made in Phases I and II. The outcome was the product of a careful integration of each component under an intelligent control system. The engine hardware provided the conditions to support LTC and the controller provided the necessary robustness for a stable combustion. Phase III provided a detailed account on the injection strategy used to meet the high load requirements. During this phase, the control strategy was implemented in a production automotive grade ECU to perform cycle-by-cycle combustion feedback on each of the engine cylinders. The control interacted on a cycle base with the injection system and with the Turbo-EGR systems according to their respective time constants. The result was a unique system that could, first, help optimize the combustion system and maintain high efficiency, and secondly, extend the steady state results to the transient mode of operation. The engine was upgraded in Phase IV with a Variable Valve Actuation system and a hybrid EGR loop. The impact of the more versatile EGR loop did not provide significant advantages, however the application of VVA proved to be an enabler to further extend the operation of LTC and gain considerable benefits in fuel economy and soot reduction. Finally, the transient demonstration was performed in Phase IV. The project demonstrated the achievement of meeting US10 emissions without NOx aftertreatment. The successful execution of the project has served to highlight the effectiveness of closely matched combustion predictive tools to engine testing. It has further served to highlight the importance of key technologies and future areas of research and development. In this regard, recommendations are made towards further improvements in the areas of engine hardware, fuel injection systems, controls and fuels.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Closing the Loop on Automotive Carbon Fiber Prepreg Manufacturing Scrap

The project demonstrated how to “close the loop” on carbon fiber by integrating industrial carbon fiber scrap into new functional components in an automotive lightweighting application. The project serves as a validation of discontinuous recycled carbon fiber in a commercial context, while generating comprehensive material data throughout the production chain. To this end, the project exhibited increasing complexity as material evaluation progressed from benchtop to commercial scale through full-scale part production, with key material properties thoroughly characterized throughout the process. Of particular focus was the form of the fiber that was fed into compounding, as recycled fiber has historically been problematic to feed at commercial-scale. Carbon fiber is energy-intensive to manufacture, so reuse of existing fiber material can reduce costs and increase sustainability. Additionally, by integrating recovered short fiber into a thermoplastic, regrind processes can be used to provide feedstock for later generations of product. While regrind plastics are not “infinitely recyclable”, reusing the manufacturing scrap over several generations of products can greatly increase material sustainability and lower the fractional embodied energy of each successive product. As such, this project supports the IACMI technical goals of (1) 25% lower carbon fiber-reinforced polymer (CFRP) cost, (2) 50% reduction in CFRP embodied energy, and (3) 80% composite recyclability into useful products. The initial stage of the project involved down selecting surface treatment (sizing) chemistries. Sizing evaluations were performed on Vartega’s chemically recycled intermediate modulus fiber along with standard modulus dry scrap which was oversized with sizing provided by Michelman. More dramatic improvements from sizing were found on the standard rather than the intermediate modulus fibers. The strength of the chemically recycled individual fibers were evaluated by Michelman and ORNL through single fiber testing and found to be comparable to similarly evaluated virgin fibers. UDRI’s mechanical testing on injection molded test specimens identified similar mechanical properties and fiber distribution relative to benchmark specimens. Additional surface chemistry tests and visualizations were performed by the Colorado School of Mines to confirm close conformance between the benchmark and recycled-fiber specimens. As the mechanical test results exceeded the 80% threshold established as the go/no-go(GNG), the project scale was increased to use commercial-scale equipment that would both better characterize the manufacturing utility of the target product format and allow qualitative assessment of a complex commercial part. An upscaled compounding evaluation was performed with a 27 mm twin-screw compounding extruding using oversized standard modulus fibers that were formatted to improve bulk solids transfer. The project team anticipated that milestone mechanical benchmarks could be achieved given the favorable performance of the sized standard modulus material identified in the initial micro-compounding trials. While the mechanical performance did meet the milestone target for that phase of the project, mechanical properties for this standard modulus-based compound were still less than those of the Ford specification. To compare the performance, the project team oversized intermediate modulus dry fibers and compounded them with the project resin at BASF using a 40 mm compounder. Test specimen mechanical performance exceeded the targets laid out in both the project milestone and the Ford specification. A series of prototype parts were successfully molded, albeit with instances of short shot components due to the high thermal conductivity of the carbon fiber compared to glass fiber for which the prototype tool was designed for. The project demonstrated that recycled carbon fiber is a viable option in fiber reinforced compound, providing greatly increased strength and modulus for applications that require them. The “agglomerated” format that facilitated effective bulk solids transfer of recovered fiber showed promise for industrial application.

36 MATERIALS SCIENCE↗

DOE OSTI2017

XMM-Newton X-Ray Observations of LkCa 15: A T Tauri Star with a Formative Planetary System

High-resolution ground-based images of the T Tauri star LkCa 15 have revealed multiple companions that are thought to comprise a formative planetary system. The candidate protoplanets orbit at distances of ∼15–20 au within the dust-depleted inner region of the circumstellar disk. Because of its young age (∼1–4 Myr), LkCa 15 provides a benchmark system for testing planet-formation models. We detected LkCa 15 as a bright X-ray source in a short 10 ks Chandra observation in 2009. We report here new results obtained from a deeper 37 ks XMM-Newton observation in 2014. The new data provide better sampling in the time domain and improved sensitivity at low energies below 1 keV. Spectral fits with thermal emission models require at least two temperature components at kT {sub cool} ≈ 0.4 keV and kT {sub hot} ≈ 2.2 keV. The value of kT {sub hot} is about a factor of two less than inferred from Chandra, suggesting that the hot-component temperature is variable. The best-fit absorption column density is in good agreement with that expected from optical extinction estimates A{sub V} ≈ 1.3–1.7 mag. The intrinsic X-ray luminosity is L {sub x}(0.2–10 keV) = 3 × 10{sup 30} erg s{sup −1}. Estimates of the X-ray heating rate of the inner disk and protoplanets are sensitive to the assumed disk gas surface density for which recent ALMA observations give estimates Σ{sub 0,gas} ∼10{sup 2} g cm{sup −2} at 1 au from the star. At such densities, X-ray heating is confined mainly to the upper disk layers and X-ray penetration through the disk midplane to the protoplanets at r ≈ 15–20 au is negligible.

79 ASTRONOMY AND ASTROPHYSICS↗