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At least 199 records · Page 11

Shadow of the Future: Developing Trust and Software within the Exascale Computing Project

Collaboration and team science are emerging areas of interest in software production. Historically, multi-institutional research collaborations are difficult to initiate and maintain, negatively impacting communication, negotiation, and dialogue between industry, government, and academic researchers. The Exascale Computing Project (ECP), a massive, multi-team, high-stakes initiative, facilitated broader research collaboration under a shared funding structure and extended timeline to support scientific discovery. Here, we conducted interviews with ECP teams, representing a variety of domain specialties, research institutions, and programming backgrounds. Using thematic analysis, we assessed how ECP’s structure created an environment of increased trust among projects and how software shared between teams facilitated sustained collaboration. We found that the expectation of future collaboration, i.e., the shadow of the future, greatly enhanced trust among teams and the quality of scientific software produced. Based on our findings within ECP projects, we connect to the existing literature on trust in software engineering and share recommendations for sustainable multi-institutional collaboration and shared best software practices.

Exascale computing project↗

Collaborative investigation of the internal flow and near-nozzle flow of an eight-hole gasoline injector (Engine Combustion Network Spray G)

The internal details of fuel injectors have a profound impact on the emissions from gasoline direct injection engines. However, the impact of injector design features is not currently understood, due to the difficulty in observing and modeling internal injector flows. Gasoline direct injection flows involve moving geometry, flash boiling, and high levels of turbulent two-phase mixing. In order to better simulate these injectors, five different modeling approaches have been employed to study the engine combustion network Spray G injector. Here these simulation results have been compared to experimental measurements obtained, among other techniques, with X-ray diagnostics, allowing the predictions to be evaluated and critiqued. The ability of the models to predict mass flow rate through the injector is confirmed, but other features of the predictions vary in their accuracy. The prediction of plume width and fuel mass distribution varies widely, with volume-of-fluid tending to overly concentrate the fuel. All the simulations, however, seem to struggle with predicting fuel dispersion and by inference, jet velocity. This shortcoming of the predictions suggests a need to improve Eulerian modeling of dense fuel jets.

ECN↗

Effective interdisciplinary collaboration between statisticians and other subject matter experts

Progress and innovative solutions to challenging problems often come at the intersection of multiple disciplines. Statisticians frequently are presented with opportunities to participate on or lead interdisciplinary teams, where how well their contributions are received is a function of their effectiveness as collaborators. In this article, we outline six fundamentals for effective collaboration: respect, shared common goals, trust, commitment, intercommunication, and execution. We focus on how these core aspects of a successful collaboration can be encouraged by statisticians. Through an example, we illustrate how problems can arise when some of the key components are missing and what strategies can be used to mitigate problems. Lastly, we describe how early career statisticians can work to improve their collaboration skills to improve their impact on teams with diverse backgrounds.

42 ENGINEERING↗

Predictive Engineering Tools for Novel Fuels

This project was funded through the Campus Executive Fellowship at University of California (UC) Berkeley, and had two principal aims. First, it sought to explore predictive tools for estimating fuel properties based on molecular structure, with the goal of identifying promising candidates for new fuels to be synthesized. Second, it sought to investigate the possibility of increasing engine efficiency by substituting air for a working fluid with higher efficiency potential employed in a closed loop, namely a mixture of argon and oxygen. In pursuing the predictive tool for novel fuels, a new model was built that proved to be highly predictive of autoignition characteristics for a wide variety of hydrocarbons, esters, ethers and alcohols, and reasonably predictive for furan and tetrahydrofuran compounds, the target class of novel fuels. Obtaining more “training data” for the model improved its predictive capabilities, and further reductions in the uncertainty of the predictions would be possible with more training data. In investigating the concept of a closed-loop engine cycle using an argon-oxygen working fluid, substantial progress was made. Initial engineering models were built showing the feasibility of the concept; numerous collaborations were formed with industry and academic partners; external funding was secured from the California Energy Commission (CEC) to build a dedicated engine platform for research; and this engine platform was designed and constructed. Experimental work and associated modeling studies will take place in late 2016 and early 2017.

10 SYNTHETIC FUELS↗

NLC ZDR: Zero Order Design Report for the NEXT Linear Collider (Volume 1)

This “Zeroth-Order Design Report” (ZDR) for the Next Linear Collider (NLC) is being created at a time of both great opportunity and uncertainty in the future directions that will be taken by the world-wide community of high-energy physics. There is exciting news that the Large Hadron Collider project has been approved for construction at CERN, and the planned involvement by physicists and engineers from countries around the globe will make this the first accelerator to be designed and built by a truly world-wide collaboration. By contrast, the cancellation of the SSC has demonstrated the necessity of international collaboration on such large scientific projects. The community of scientists and engineers at work on the accelerator physics and technologies of high-energy electron-positron colliders has recognized this need, and has made concerted effort to coordinate research activities to optimize our combined understanding and knowledge. This ZDR is one further step in this process.

43 PARTICLE ACCELERATORS↗

NLC ZDR: Zero Order Design Report for the NEXT Linear Collider (Volume 2)

This “Zeroth-Order Design Report” (ZDR) for the Next Linear Collider (NLC) is being created at a time of both great opportunity and uncertainty in the future directions that will be taken by the world-wide community of high- energy physics. There is exciting news that the Large Hadron Collider project has been approved for construction at CERN, and the planned involvement by physicists and engineers from countries around the globe will make this the first accelerator to be designed and built by a truly world-wide collaboration. By contrast, the cancellation of the SSC has demonstrated the necessity of international collaboration on such large scientific projects. The community of scientists and engineers at work on the accelerator physics and technologies of high-energy electron-positron colliders has recognized this need, and has made concerted effort to coordinate research activities to optimize our combined understanding and knowledge. This ZDR is one further step in this process.

43 PARTICLE ACCELERATORS↗

CIECAT (Cyber-Informed Engineering Commercial Buildings Analysis Tool) [SWR-25-172]

The Cyber-Informed Engineering Commercial Buildings Analysis Tool (CIECAT) was developed in collaboration with the U.S. Department of Energy’s Office of Cybersecurity, Energy Security, and Emergency Response (CESER). This tool is a energy source subcomponent integrated into the CIEMAT ecosystem and is developed to enhance the security and resilience of Commercial Buildings by incorporating Cyber-Informed Engineering (CIE) principles into the Commercial Buildings.

Etigowni, Sriharsha [National Laboratory of the Ro↗

Application of Bound-to-Bound Data Collaboration approach for development and uncertainty quantification of a reduced char combustion model

The development of efficient industrial oxy-coal boilers can be significantly aided by Computational Fluid Dynamics (CFD) tools, as far as fidelity in modeling coal combustion is also complemented by feasible computational costs. Reduced and predictive models are the most suitable for this application scale. Reduced models feature predictivity when they are validated against a broad range of experiments and targeted by Uncertainty Quantification (UQ) procedures. This work proposes a numerical procedure that uses Bound-to-Bound Data Collaboration (B2B-DC) to derive a reduced char combustion model describing transport phenomena and reactions between char carbon and O 2 , CO 2 and H 2 O, in both conventional and oxy-conditions. The approach determines the consistency between a numerical model and an experimental dataset. The latter is made up of the experiments carried out in an optically accessible laminar entrained flow reactor, operated by Sandia National Laboratories. The procedure follows five steps towards predictive modeling capability, namely: quantification of the uncertainty in the experiments, via instrument verification and modeling; development of a physics model and continuous improvement of its fidelity, via model-form uncertainty; identification of the uncertain and most sensitive parameters and of their prior bounds; sampling of the initial uncertain parameter space and training of a surrogate model; validation of the physics model via inference from the data. The last step, also known as inverse problem, is performed by applying the Bound-to-Bound Data Collaboration approach. A char combustion model is found consistent with the experimental data and its validity stands for conventional and oxy-combustion conditions. It accounts for heterogeneous reactions at the particle surface, mass transport of species in the particle boundary layer, pore diffusion and surface area changes. The consistent reduced model overcomes the differences in mass transport and kinetics observed in the experimental campaign. In conclusion, a reduction of the initial degree of uncertainty in both model and experiments is achieved.

42 ENGINEERING↗

Experimental and Computational Investigation of Subcritical Near-Nozzle Spray Structure and Primary Atomization in the Engine Combustion Network Spray D

In order to improve understanding of the primary atomization process for diesel-like sprays, a collaborative experimental and computational study was focused on the near-nozzle spray structure for the Engine Combustion Network (ECN) Spray D single-hole injector. These results were presented at the 5th Workshop of the ECN in Detroit, Michigan. Application of x-ray diagnostics to the Spray D standard cold condition enabled quantification of distributions of mass, phase interfacial area, and droplet size in the near-nozzle region from 0.1 to 14 mm from the nozzle exit. Using these data, several modeling frameworks, from Lagrangian-Eulerian to Eulerian-Eulerian and from Reynolds-Averaged Navier-Stokes (RANS) to Direct Numerical Simulation (DNS), were assessed in their ability to capture and explain experimentally observed spray details. Due to its computational efficiency, the Lagrangian-Eulerian approach was able to provide spray predictions across a broad range of conditions. In general, this “engineering-level” simulation was able to reproduce the details of the droplet size distribution throughout the spray after calibration of the spray breakup model constants against the experimental data. Complementary to this approach, higher-fidelity modeling techniques were able to provide detailed insight into the experimental trends. For example, interface-capturing multiphase simulations were able to capture the experimentally observed bimodal behavior in the transverse interfacial area distributions in the near-nozzle region. Further analysis of the spray predictions suggests that peaks in the interfacial area distribution may coincide with regions of finely atomized droplets, whereas local minima may coincide with regions of continuous liquid structures. Lastly, the results from this study highlight the potential of x-ray diagnostics to reveal salient details of the near-nozzle spray structure and to guide improvements to existing primary atomization modeling approaches.

33 ADVANCED PROPULSION SYSTEMS↗

Developing a Strategy for Full Nuclear Plant Modernization

Recognizing the important role commercial nuclear power generation plays in the powering the economy and providing energy security to the nation, the U.S. Department of Energy (DOE) has established the Light Water Reactor Sustainability (LWRS) program to perform research and development (R&D) that further establishes the technical foundations for managing the long-term, safe, and economical operation of nuclear power plants (NPPs). One particular R&D area in the LWRS program is the Plant Modernization pathway, which includes human factors R&D and instrumentation and control systems engineering to enable full plant modernization. By funding R&D on plant modernization, the LWRS program provides important technical information that can be used by decision makers on how to best proceed with modernizing the existing fleet of NPPs. Under the LWRS program Plant Modernization pathway, a considerable amount of R&D has been performed in the human factors and I&C engineering areas. This work has been done in collaboration with many different U.S. utilities, and focused on both control room instrumentation and control (I&C) upgrades, and I&C upgrades in the field. The work performed to date under the LWRS program has had a notable impact on the ability for these utilities to continue to operate their respective fleets of reactors, and LWRS program researchers are intent on doing even more. In order to do this, a more unified strategy for full nuclear plant modernization needs to be developed. This report documents the latest step LWRS program researchers have taken to develop this strategy. Taken together with prior reports written on this specific topic the work described here provides an even clearer picture on what the strategy for full nuclear plant modernization should look like.

99 GENERAL AND MISCELLANEOUS↗

Graduate Traineeships in Accelerator Engineering and Physics

This final report summarizes the Norfolk State University portion of the project Graduate Traineeships in Accelerator Engineering and Physics. In the funded proposal, Norfolk State University participated as a collaborating institution in a broader multi-institution traineeship effort designed to prepare graduate students for work in accelerator engineering and physics, including students from Old Dominion University, Norfolk State University, and Hampton University.

43 PARTICLE ACCELERATORS↗

Reduction of Nitrogen Oxide Emission for Lean-Burn Engine Technology Final Report CRADA No. TC-0315-92-C

This program was a collaborative multi-CRADA effort between the Low Emissions Partnership (LEP), Lawrence Livermore National Laboratory (LLNL), and other DOE Laboratories to discover and develop aerogel catalysts as new materials for reducing NOx emissions in advanced lean burn engines. This included finding the most active aerogel catalyst(s), laboratory testing to optimize formulation of this catalyst(s), and producing coated full-scale catalytic converters for engine testing.

33 ADVANCED PROPULSION SYSTEMS↗

RANGERS: Methodology Report on Design and Performance Assessment of Engineered Barrier Systems in a Salt Repository for HLW/SNF

Salt formations are one of the potential host rocks for the final disposal of high-level radioactive waste (HLW) in deep geological repositories, both in Germany and the United States. The safe isolation of radioactive waste in these repositories relies on a multi-barrier system, combining engineered and natural barriers. The natural barrier is provided by the salt rock itself, known for its self-sealing properties and long-term stability. The engineered barrier, on the other hand, comprises sealing components strategically placed within the repository to enhance its containment capabilities. In both Germany and the United States, long-term safety assessments require demonstrating the integrity of the natural barrier for a period of up to 1 million years. Concurrently, the engineered barrier system (EBS) must maintain its structural and functional integrity until the long-term sealing, such as the granular salt backfill material, has re-consolidated to its final low porosity and permeability. Based on extensive expertise and experience with engineered barriers in salt formations, BGE TECHNOLOGY GmbH and Sandia National Laboratories have partnered to develop a robust methodology for the integrity and performance assessment of EBS in HLW repositories through the RANGERS project. This collaborative effort aims to establish a unified approach to geotechnical engineering, repository design, integrity and performance evaluation of EBS in salt repositories.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Evaluation of methods for characterizing the fine particulate matter emissions from aircraft and other diffusion flame combustion aerosol sources

The U. S. Environmental Protection Agency in collaboration with the U. S. Air Force Arnold Engineering Development Complex conducted the VAriable Response In Aircraft nvPM Testing (VARIAnT) 3 and 4 test campaigns to compare nvPM emissions measurements from a variety of diffusion flame combustion aerosol sources (DFCASs), including a Cummins diesel engine, a diesel powered generator, two gas turbine start carts, a J85-GE-5 turbojet engine burning multiple fuels, and a Mini-CAST soot generator. The VARIAnT research program has conducted four test campaigns to date with the VARIAnT 3 and 4 test campaigns focusing on BC mass instrument performance, use of gas turbine engine sources for BC mass instrument calibration, and the characterization of the aerosols produced from the combustion sources. Results from both campaigns revealed agreement of about 20% between the AVL Micro-Soot Sensor, the Cavity Attenuated Phase Shift (CAPS PMSSA) monitor and the thermal-optical reference method for elemental carbon (EC), independent of the calibration source used. For the Artium LII-300, the measured mass concentrations in VARIAnT3 fall within 18% and in VARIAnT4 fall within 32% of the reference EC mass concentration when calibrated on a combustor rig in VARIAnT3 and on a LGT-60 start cart in VARIAnT4, respectively. It was also found that the three mass instrument types (MSS, CAPS PMSSA, and LII-300) can exhibit different BC to reference EC ratios depending on the emission source that appear to correlate to particle geometric mean mobility diameter, morphology, or some other parameter associated with particle geometric mean diameter (GMD) with the LII-300 showing a slightly stronger apparent trend with GMD. Systematic differences in LII-300 measured mass concentrations have been reduced by calibrating with a turbine combustion source (combustor or turbine engine). With respect to the particle size measurements made, the sizing instruments (TSI SMPS, TSI EEPS, and Cambustion DMS 500) were found to be in general agreement in terms of size distributions and concentrations with some exceptions. Teflon filter measurements of the total aerosol mass produced by the various DFCASs differed from the reference EC, BC, and integrated particle sized distribution measured aerosol masses. The Teflon filter measured mass was 30 to 40% greater than the reference EC and 50 to 60% greater than the BC mass for the J85 in both test campaigns. The measurements of particle size distributions and single particle analysis by miniSPLAT indicated the presence of large particles (>100 nm) having more compact morphologies, higher effective density, and a composition dominated by OC and ash. This increased large particle fraction is also associated with higher values of single scattering albedo measured by the CAPS PMSSA instrument and higher OC/EC measurements. These measurements indicate gas turbine engine emissions can be a more heterogeneous mix of particle types beyond the original E31 assumption that it is mainly composed of black carbon.

33 ADVANCED PROPULSION SYSTEMS↗

NSLS-II longitudinal impedance budget

From the beginning of the NSLS-II project, the vacuum chamber of the NSLS-II storage ring has been optimized to reduce its impedance. The optimization, performed in close collaboration with the Diagnostic, Vacuum, RF, and Mechanical Engineering groups, has been achieved via calculating the impedance of the vacuum chamber components with the use of both analytical and numerical tools, with the numerical computations carried out with the GdfidL code. Fore reliable NSLS-II operation with the total beam current of 500 mA, each component of the vacuum chamber has been individually optimized to minimize the beam-induced heating and to prevent single-bunch and coupled-bunch instabilities. In this study, the impedance calculation and optimization know-how are summarized for all the chamber components, and the total longitudinal impedance budget is analyzed. As a result of this extensive research and engineering effort, the design beam current of 500 mA has been recently accumulated in NSLS-II without any major problem caused by collective effects.

43 PARTICLE ACCELERATORS↗

Ethanol to diesel: a sustainable alternative for the heavy-duty transportation sector

The combustion of middle distillates (diesel and jet fuel) is responsible for the emission of more than 2 GTon of CO 2 per year worldwide. While sustainable alternatives exist for gasoline and jet fuel, we still lack sustainable alternatives for diesel. This fact is especially relevant if we consider that electrification of sectors where diesel is used is challenging. One sustainable approach for diesel production is the catalytic upgrading of ethanol. While most work in this field has focused on the dehydration/oligomerization of ethanol, this approach is limited to producing fuels that have a high degree of branching and low cetane number. Another approach is the sequential use of ethanol Guerbet coupling, leading to higher alcohols, followed by etherification, leading to large ethers which, importantly, result in a product with high cetane number. In this work, we explore the catalytic upgrading of ethanol into diesel following an approach based on the initial Guerbet coupling of ethanol followed by etherification. The results presented are a collaborative and synergic effort among process and systems engineers, experimentalist in the area of catalysis, and fuel property modelers. Here, we demonstrate experimentally the feasibility of upgrading ethanol into a diesel fuel with properties that surpass its fossil counterpart. The diesel produced has a predicted cetane number of ~70 and outstanding cold flow properties, while maintaining other properties (viscosity, density, and flash point) within expected ranges. A technoeconomic analysis performed based on a detailed biorefinery model shows that the MFSP is ~5.89$ per Gal in 2021 dollars when lignocellulosic ethanol is used, with the most relevant economic driver the cost of the ethanol feedstock. The upgrading process can be performed with a net energy gain (EROI = 1.49 > 1). An LCA analysis of greenhouse gas (GHG) emissions reveals that the use of lignocellulosic ethanol may lead to more than 50% reduction in GHG emissions compared to fossil diesel. Depending on the CO 2 emissions associated with the production of ethanol we show that in some instances the production of carbon neutral diesel fuel is possible.

09 BIOMASS FUELS↗

WE-G-303-00: Nanotechnology for Imaging and Therapy

Over the last decade, there has been a growing interest in applying nanotechnology to cancer detection, treatment, and treatment monitoring. Advances in nanotechnology have enabled the fabrication of nanoparticles from various materials with different shapes and sizes. Nanoparticles can be accumulated preferentially within tumors by either “passive targeting” through a phenomenon typically known as “enhanced permeability and retention” or “active targeting” in which nanoparticles are conjugated with antibodies or peptides directed against tumor and/or stromal markers. The tumor specificity of nanoparticles in conjunction with their unique physicochemical properties offers many novel strategies for cancer treatment and detection. For example, notable approaches in the radiation oncology setting include the use of gold nanoparticles for radiation response modulation of tumor or normal tissue and thermal ablation or hyperthermia treatment of tumors. Some of these approaches are currently being tested either on humans or on animals and, very likely, will become the clinical reality in the near future. Various computational and experimental techniques have also been applied to address unique research issues associated with nanoparticles and may become the standard tools for future investigations and clinical translations. Therefore, both clinicians and researchers may need to be properly educated about the basic principles as well as the promise of nanoparticle-based applications with regard to the future of cancer diagnostics and therapeutics. This symposium will familiarize the audience with the potential applications of nanoparticles in oncologic imaging and therapy using specific illustrative examples. The audience will be properly oriented by these illustrative examples to the multiple avenues for collaborative research amongst interdisciplinary teams of physicists, clinicians, engineers, chemists, and biologists in industry and academia. Learning Objectives: Understand the physical bases of gold nanoparticle applications for radiosensitization and x-ray fluorescence imaging Understand the parameters that define gold nanoparticle-mediated radiosensitization in biological systems Understand the potential of magnetic nanoparticle characterization of the microenvironment Understand the various strategies for radiolabeling of nanoparticles and their applications S.C. and S.K. acknowledge support from MD Anderson Cancer Center, NIH (R01CA155446 and P30CA16672) and DoD (W81XWH-12-1-0198); J.W. acknowledges support from NIH (U54CA151662-01); W.C. acknowledges support from the University of Wisconsin-Madison, NIH (R01CA169365, P30CA014520, and T32CA009206), DoD (W81XWH-11-1-0644 and W81XWH-11-1-0648), and ACS (125246-RSG-13-099-01-CCE)

60 APPLIED LIFE SCIENCES↗