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At least 1,675 records · Page 93

Conceptual Design of the Project-X 1.3 GHz, 3-8 GeV Pulsed Linac

The Project-X, a multi-MW proton source, is under development at Fermilab. It enables a Long Baseline Neutrino Experiment via a new beam line pointed to DUSEL in Lead, South Dakota, and a broad suite of rare decay experiments. The facility co ntains 3-GeV 1-mA CW superconducting linac. In the second stage of about 5% of the H- beam is accelerated up to 8 GeV in a 1.3 GHz SRF pulse linac to Recycler/Main Injector. In order to mitigate the problem with the stripping foil heating during injection to the Main Injector, the pulses with higher current are accelerated in CW linac together with 1 mA beam for further acceleration in the pulse linac. The optimal current in the pulse linac is discussed as well as limitations that determine it's selection . A concept design of the pulse linac is described. The lattice design is presented as well as RF stability analysis. The necessity of the HOM couplers is discussed also.

43 PARTICLE ACCELERATORS↗

Geoelectrical Measurement of Multi-Scale Mass Transfer Parameters

Mass transfer affects contaminant transport and is thought to control the efficiency of aquifer remediation at a number of sites within the Department of Energy (DOE) complex. An improved understanding of mass transfer is critical to meeting the enormous scientific and engineering challenges currently facing DOE. Informed design of site remedies and long-term stewardship of radionuclide-contaminated sites will require new cost-effective laboratory and field techniques to measure the parameters controlling mass transfer spatially and across a range of scales. In this project, we sought to capitalize on the geophysical signatures of mass transfer. Previous numerical modeling and pilot-scale field experiments suggested that mass transfer produces a geoelectrical signature—a hysteretic relation between sampled (mobile-domain) fluid conductivity and bulk (mobile + immobile) conductivity—over a range of scales relevant to aquifer remediation. In this work, we investigated the geoelectrical signature of mass transfer during tracer transport in a series of controlled experiments to determine the operation of controlling parameters, and also investigated the use of complex-resistivity (CR) as a means of quantifying mass transfer parameters in situ without tracer experiments. In an add-on component to our grant, we additionally considered nuclear magnetic resonance (NMR) to help parse mobile from immobile porosities. Including the NMR component, our revised study objectives were to: 1. Develop and demonstrate geophysical approaches to measure mass-transfer parameters spatially and over a range of scales, including the combination of electrical resistivity monitoring, tracer tests, complex resistivity, nuclear magnetic resonance, and materials characterization; and 2. Provide mass-transfer estimates for improved understanding of contaminant fate and transport at DOE sites, such as uranium transport at the Hanford 300 Area. To achieve our objectives, we implemented a 3-part research plan involving (1) development of computer codes and techniques to estimate mass-transfer parameters from time-lapse electrical data; (2) bench-scale experiments on synthetic materials and materials from cores from the Hanford 300 Area; and (3) field demonstration experiments at the DOE’s Hanford 300 Area. In a synergistic add-on to our workplan, we analyzed data from field experiments performed at the DOE Naturita Site under a separate DOE SBR grant, on which PI Day-Lewis served as co-PI. Techniques developed for application to Hanford datasets also were applied to data from Naturita. 1. Introduction The Department of Energy (DOE) faces enormous scientific and engineering challenges associated with the remediation of legacy contamination at former nuclear weapons production facilities. Selection, design and optimization of appropriate site remedies (e.g., pump-and-treat, biostimulation, or monitored natural attenuation) requires reliable predictive models of radionuclide fate and transport; however, our current modeling capabilities are limited by an incomplete understanding of multi-scale mass transfer—its rates, scales, and the heterogeneity of controlling parameters. At many DOE sites, long “tailing” behavior, concentration rebound, and slower-than-expected cleanup are observed; these observations are all consistent with multi-scale mass transfer [Haggerty and Gorelick, 1995; Haggerty et al., 2000; 2004], which renders pump-and-treat remediation and biotransformation inefficient and slow [Haggerty and Gorelick, 1994; Harvey et al., 1994; Wilson, 1997]. Despite the importance of mass transfer, there are significant uncertainties associated with controlling parameters, and the prevalence of mass transfer remains a point of debate [e.g., Hill et al., 2006; Molz et al., 2006] for lack of experimental methods to verify and measure it in situ or independently of tracer breakthrough. There is a critical need for new field-experimental techniques to measure mass transfer in-situ and estimate multi-scale and spatially variable mass-transfer parameters. The current lack of such techniques results in large parameter uncertainty, which in turn translates into enormous prediction uncertainty and cost to DOE. In this project, we considered three hydrogeophysical approaches for providing information about mass-transfer parameters: (1) the combination of electrical-resistivity tomography (ERT) and ionic tracer experiments to explore rates of exchange and relative mobile and immobile porosities; (2) complex resistivity (CR) measurements to infer the distribution of diffusive length scales active in a porous medium; and (3) nuclear magnetic resonance (NMR) to estimate mobile and immobile porosity.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Numerical Homogenization on Approach for Stokesian Suspensions

In this technical report we investigate efficient methods for numerical simulation of active suspensions. The prototypical system is a suspension of swimming bacteria in a Newtonian fluid. Rheological and other macroscopic properties of such suspensions can differ dramatically from the same properties of the suspending fluid alone or of suspensions of similar but inactive particles. Elongated bacteria, such as E. coli or B. subtilis, swim along their principal axis, propelling themselves with the help of flagella, attached at the anterior of the organism and pushing it forward in the manner of a propeller. They interact hydrodynamically with the surrounding fluid and, because of their asymmetrical shape, have the propensity to align with the local flow. This, along with the dipolar nature of bacteria (the two forces a bacterium exerts on a fluid - one due to self-propulsion and the other opposing drag - have equal magnitude and point in opposite directions), causes nearby bacteria to tend to align, resulting in a intermittent local ordering on the mesoscopic scale, which is between the microscopic scale of an individual bacterium and the macroscopic scale of the suspension (e.g., its container). The local ordering is sometimes called a collective mode or collective swimming. Thanks to self-propulsion, collective modes inject momentum into the fluid in a coherent way. This enhances the local strain rate without changing the macroscopic stress applied at the boundary of the container. The macroscopic effective viscosity of the suspension is defined roughly as the ratio of the applied stress to the bulk strain rate. If local alignment and therefore local strain-rate enhancement, are significant, the effective viscosity can be appreciably lower than that of the corresponding passive suspension or even of the surrounding fluid alone. Indeed, a sevenfold decrease in the effective viscosity was observed in experiments with B. subtilis. More generally, local collective swimming resulting from bacterial alignment can significantly alter other macroscopic properties of the suspension, such as the oxygen diffusivity and mixing rates. In order to understand the unique macroscopic properties of active suspensions the connection between microscopic swimming and alignment dynamics and the mesoscopic pattern formation must be clarified. This is difficult to do analytically in the fully general setting of moderately dense suspensions, because of the large number of bacteria involved (approx. 10 10 cm -3 in experiments) and the complex, time-dependent geometry of the system. Many reduced analytical models of bacterial have been proposed, but all of them require validation. While comparison with experiment is the ultimate test of a model's fidelity, it is difficult to conduct experiments matched to these models assumptions. Numerical simulation of the microscopic dynamics is an acceptable substitute, but it runs into the problem of having to discretize the fluid domain with a fine-grained boundary (the bacteria) and update the discretization as the domain evolves (bacteria move). This leads to a prohibitively high number of degrees of freedom and prohibitively high setup costs per timestep of simulation. In this technical report we propose numerical methods designed to alleviate these two difficulties. We indicate how to (1) construct an optimal discretization in terms of the number of degrees of freedom per digit of accuracy and (2) optimally update the discretization as the simulation evolves. The technical tool here is the derivation of rigorous error bounds on the error in the numerical solution when using our proposed discretization at the initial time as well as after a given elapsed simulation time. These error bounds should guide the construction of practical discretization schemes and update strategies. Our initial construction is carried out by using a theoretically convenient, but practically prohibitive spectral basis, which is a Galerkin basis of functions with global support. At the end of this report we propose localization techniques while maintaining acceptable error bounds. No numerical experiments were conducted as part of this study, but we envision that we may undertake such studies and further development of the method, jointly or individually.

60 APPLIED LIFE SCIENCES↗

Tailor-Made Microporous Metal–Organic Frameworks for the Full Separation of Propane from Propylene Through Selective Size Exclusion

Adsorptive separation of olefin/paraffin mixtures by porous solids can greatly reduce the energy consumption associated with the currently employed cryogenic distillation technique. Here, the complete separation of propane and propylene by a designer microporous metal–organic framework material is reported. The compound, Y 6 (OH) 8 (abtc) 3 (H 2 O) 6 (DMA) 2 (Y-abtc, abtc = 3,3',5,5'-azobenzene-tetracarboxylates; DMA = dimethylammonium), is rationally designed through topology-guided replacement of inorganic building units. Y-abtc is both thermally and hydrothermally robust, and possesses optimal pore window size for propane/propylene separation. It adsorbs propylene with fast kinetics under ambient temperature and pressure, but fully excludes propane, as a result of selective size exclusion. Multicomponent column breakthrough experiments confirm that polymer-grade propylene (99.5%) can be obtained by this process, demonstrating its true potential as an alternative sorbent for efficient separation of propane/propylene mixtures.

36 MATERIALS SCIENCE↗

Size and Temperature Dependence of Electron Transfer between CdSe Quantum Dots and a TiO 2 Nanobelt

Understanding charge transfer reactions between quantum dots (QD) and metal oxides is fundamental for improving photocatalytic, photovoltaic and electronic devices. The complexity of these processes makes it difficult to find an optimum QD size with rapid charge injection and low recombination. We combine time-domain density functional theory with nonadiabatic molecular dynamics to investigate the size and temperature dependence of the experimentally studied electron transfer and charge recombination at CdSe QD-TiO 2 nanobelt (NB) interfaces. The electron injection rate shows strong dependence on the QD size, increasing for small QDs. The rate exhibits Arrhenius temperature dependence, with the activation energy of the order of millielectronvolts. The charge recombination process occurs due to coupling of the electronic subsystem to vibrational modes of the TiO 2 NB. Inelastic electron-phonon scattering happens on a picosecond time scale, with strong dependence on the QD size. Our simulations demonstrate that the electron-hole recombination rate decreases significantly as the QD size increases, in excellent agreement with experiments. The temperature dependence of the charge recombination rates can be successfully modeled within the framework of the Marcus theory through optimization of the electronic coupling and the reorganization energy. Our simulations indicate that by varying the QD size, one can modulate the photoinduced charge separation and charge recombination, fundamental aspects of the design principles for high efficiency devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Curiosity driven exploration to optimize structure–property learning in microscopy

Rapidly determining structure–property correlations in materials is an important challenge in better understanding fundamental mechanisms and greatly assists in materials design. In microscopy, imaging data provides a direct measurement of the local structure, while spectroscopic measurements provide relevant functional property information. Deep kernel active learning approaches have been utilized to rapidly map local structure to functional properties in microscopy experiments, but are computationally expensive for multi-dimensional and correlated output spaces. Here, we present an alternative lightweight curiosity algorithm which actively samples regions with unexplored structure–property relations, utilizing a deep-learning based surrogate model for error prediction. We show that the algorithm outperforms random sampling for predicting properties from structures, and provides a convenient tool for efficient mapping of structure–property relationships in materials science.

36 MATERIALS SCIENCE↗

Designing Algorithms for the EMU Migrating-threads-based Architecture

The decades-old memory bottleneck problem for data-intensive applications is getting worse as the processor core counts continue to increase. Workloads with sparse memory access characteristics only achieve a fraction of a system’s total memory bandwidth. EMU architecture provides a radical approach to the issue by migrating the computational threads to the location where the data resides. The system enables access to a large PGAS-type memory for hundreds of nodes via a Cilk- based multi-threaded execution scheme.EMU architecture brings brand new challenges in application design and development. Data distribution and thread creation strategies play a crucial role in achieving optimal performance in the EMU platform. In this work, we identify several design considerations that need to be taken care of while developing applications for the new architecture and we evaluate their performance effects on the EMU-chick hardware. We also present a modified BFS algorithm for the EMU system and give experi- mental results for its execution on the platform.

Belviranli, Mehmet E.↗

Experimental Characterization Of The Interaction Between Carbon Fiber Composite Prepregs During The Preforming Process

Carbon fiber composites have received growing attention because of their high performance. One economic method to manufacturing the composite parts is the sequence of forming followed by the compression molding process. In this sequence, the preforming procedure forms the prepreg, which is the composite with the uncured resin, to the product geometry while the molding process cures the resin. Slip between different prepreg layers is observed in the preforming step and this paper reports a method to characterize the properties of the interaction between different prepreg layers, which is critical to predictive modeling and design optimization. An experimental setup was established to evaluate the interactions at various industrial production conditions. The experimental results were analyzed for an in-depth understanding about how the temperature, the relative sliding speed, and the fiber orientation affect the tangential interaction between two prepreg layers. The interaction factors measured from these experiments will be implemented in the computational preforming program.

Composite, Preforming, Material characterization, ↗

Length Dependence of Severe Accident Test Station Integral Testing

The safety of accident-tolerant fuel (ATF) candidates must be tested under simulated loss-of-coolant accident (LOCA) conditions to evaluate their improved safety margins. This evaluation eventually must include testing of irradiated materials. This report describes the fiscal year (FY) 2019 activities to (1) improve the information yield of integral design–basis LOCA tests by using digital image correlation (DIC) calculations on the engraved specimens’ surfaces and (2) to investigate the effects of reducing the length of nuclear-grade FeCrAl specimens tested in the Severe Accident Test Station (SATS) to improve the costeffectiveness of irradiation campaigns for future work. Analysis showed the DIC technique to be effective at calculating strains, and that specimens as short as 4 inches could be used for LOCA experiments while maintaining similar balloon and burst behavior as 12-inch specimens. With these results, an irradiation vehicle design effort was initiated to encapsulate multiple 4-inch thin-walled tube cladding specimens and test them under irradiation in the flux trap of the High Flux Isotope Reactor. By utilizing thermal modeling and optimizing the design parameters, calculated specimen temperatures were predicted to vary less than 2% during irradiation. Future work is planned to finalize the design and safety basis approvals and initiate a HFIR irradiation in support of in-cell integral LOCA tests at the Irradiated Fuels Examination Laboratory (IFEL).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Genetic Algorithms for Rapid Molecular Materials Screening

This project developed efficient methods for rapid computational screening of conjugated polymers and oligomers with optimal or near-optimal photovoltaic, dielectric, spintronic, and other unique electronic structure properties using genetic algorithms (GA). A key promise of organic materials is that using the incredible tailorability of synthetic organic chemistry enables experimental optimization of performance across multiple relevant properties (e.g., organic photovoltaics, organic lasers). The fundamental challenge is inverse design: how does one find the molecular or polymer structures with desired properties in the face of a near-infinite (e.g., >10 20 - 10 60 ) number of possible molecular structures, combined with time-consuming experiments or electronic structure calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Description of FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment

The urgency to deliver fusion power is growing now more than ever, with increasing pressure for both public programs and private companies to meet milestones timelines and overcome significant remaining technical challenges to ensure growth of a nascent fusion industry in time to meet rapidly growing clean energy demands. With incredible advancements in computation and years of investment in fusion model development and validation, integrated modeling is poised to fill a key role in accelerating the timeline to a fusion pilot plant (FPP). Future fusion pilot plants will operate in regimes far beyond current experience, and device design will rely on physics-based prediction and extrapolation. Many concepts will also rely on simulation to assess safety (shielding, tritium management, materials activation and lifetimes), economics and scalability before the decision to build. Importantly, integrated simulation can be used to reveal and solve the complexities of system integration that may otherwise not be apparent in physical components or models developed in isolation. New experimental test facilities that produce relevant conditions to validate and resolve key technical challenges for various subsystems (materials, blankets, fuel cycle, etc.) have been repeatedly called for by the fusion community but are not yet realized. Integrated modeling has an important role in identifying realistic load conditions (thermal, electromagnetic, plasma, neutron and photon loads, etc.) and defining the components and experiments for these test facilities in order to ensure meaningful validation that sufficiently reduces modeling uncertainties and technical risk for the full integrated reactor. The Fusion REactor Design and Assessment (FREDA) SciDAC project is building a component-based integrated modeling framework & data structure to enable self-consistent, multi-fidelity, iterative optimization workflows for the fusion reactor design process. FREDA aims to shorten the time to viable designs by providing a set of flexible workflows to support the various stages of the design process using an integrated model hierarchy, ranging from the simple analytic descriptions to the highest fidelity, theory-based plasma and engineering modeling developed by the fusion and fission communities. These tools are expected to be needed for timely support of FPP design in the milestone program and in the FIRE collaboratives. The plasma simulation backbone of FREDA is IPS-FASTRAN with newly developed coupled Core-Edge Pedestal-SOL (CESOL) workflows, which is being extended to the far-SOL region up to the plasma facing components. FREDA incorporates the FERMI engineering modeling suite and will enable self-consistent evaluation of the thermal shields, limiters, blanket, magnets, and other surrounding structures with predictions of temperatures, erosion, dpa, activation, tritium generation and transport, creep, corrosion, material degradation, etc. Parametric generation of 3D CAD enables rapid iteration of component geometry in response to plasma and loading specifications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Towards a New μ→eγ Search with the MEG II Experiment: From Design to Commissioning

The MEG experiment represents the state of the art in the search for the Charged Lepton Flavour Violating μ + →e + γ decay. With its first phase of operations at the Paul Scherrer Institut (PSI), MEG set the most stringent upper limit on the BR (μ + →e + γ) ≤ 4.2×10 –13 at 90% confidence level, imposing one of the tightest constraints on models predicting LFV-enhancements through new physics beyond the Standard Model. An upgrade of the MEG experiment, MEG II, was designed and it is presently in the commissioning phase, aiming at a sensitivity level of 6×10 –14 . The MEG II experiment relies on a series of upgrades, which include an improvement of the photon detector resolutions, brand new detectors on the positron side with better acceptance, efficiency and performances and new and optimized trigger and DAQ electronics to exploit a muon beam intensity twice as high as that of MEG (7×10 7 μ + /s). This paper presents a complete overview of the MEG II experimental apparatus and the current status of the detector commissioning in view of the physics data taking in the upcoming three years.

79 ASTRONOMY AND ASTROPHYSICS↗

The Neutronic Engine: A Platform for Operando Neutron Diffraction in Internal Combustion Engines

Neutron diffraction is a powerful tool for noninvasive and nondestructive characterization of materials and can be applied even in large devices such as internal combustion engines thanks to neutrons’ exceptional ability to penetrate many materials. While proof-of-concept experiments have shown the ability to measure spatially and temporally resolved lattice strains in a small aluminum engine on a timescale of minutes over a limited spatial region, extending this capability to timescales on the order of a crank angle degree over the full volume of the combustion chamber requires careful design and optimization of the engine structure to minimize attenuation of the incident and diffracted neutrons to maximize count rates. Here, we present the design of a “neutronic engine,” which is analogous to an optical engine in that the materials and external geometry of a typical automotive engine have been optimized to maximize access of the diagnostic while maintaining the internal combustion chamber geometry and operability of the engine. The high transparency of aluminum to neutrons makes it the ideal window material for neutron diagnostics, which allows the neutronic engine to be a truly all-metal engine with the same load and boundary condition capabilities of a modern downsized passenger car engine. The neutronic engine will enable 3D and time-resolved measurements of strain, stress, and temperature fields as well as phase transformation, texture, and microstructure throughout the metal components of the combustion chamber.

Wissink, Martin↗

Recent developments in aircraft engine noise reduction technology

Some of the more important developments and progress in jet and fan noise reduction and flight effects are reviewed. Experiments are reported which show that nonaxisymmetric coannular nozzles have the potential to reduce jet noise for conventional and inverted velocity profiles. It is shown that an improved understanding of suppressive linear behavior, coupled with the new understanding of fan source noise, will soon allow the joint optimization of acoustic liner and fan design for low noise. It is also shown that fan noise source reduction concepts are applicable to advanced turboprops. Advances in inflow control device design are reviewed that appear to offer an adequate approach to the ground simulation of inflight fan noise.

Stone, J. R.↗

Performance Evaluation of the NASA GTX RBCC Flowpath

The NASA Glenn Research Center serves as NASAs lead center for aeropropulsion. Several programs are underway to explore revolutionary airbreathing propulsion systems in response to the challenge of reducing the cost of space transportation. Concepts being investigated include rocket-based combined cycle (RBCC), pulse detonation wave, and turbine-based combined cycle (TBCC) engines. The GTX concept is a vertical launched, horizontal landing, single stage to orbit (SSTO) vehicle utilizing RBCC engines. The propulsion pod has a nearly half-axisymmetric flowpath that incorporates a rocket and ram-scramjet. The engine system operates from lift-off up to above Mach 10, at which point the airbreathing engine flowpath is closed off, and the rocket alone powers the vehicle to orbit. The paper presents an overview of the research efforts supporting the development of this RBCC propulsion system. The experimental efforts of this program consist of a series of test rigs. Each rig is focused on development and optimization of the flowpath over a specific operating mode of the engine. These rigs collectively establish propulsion system performance over all modes of operation, therefore, covering the entire speed range. Computational Fluid Mechanics (CFD) analysis is an important element of the GTX propulsion system development and validation. These efforts guide experiments and flowpath design, provide insight into experimental data, and extend results to conditions and scales not achievable in ground test facilities. Some examples of important CFD results are presented.

Thomas, Scott R.↗

Link Design and Planning for Mars Reconnaissance Orbiter (MRO) Ka-band (32 GHz) Telecom Demonstration

NASA is planning an engineering telemetry demonstration with Mars Reconnaissance Orbiter (MRO). Capabilities of Ka-band (32 GHz) for use with deep space mission are demonstrated using the link optimization algorithms and weather forecasting. Furthermore, based on the performance of previous deep space missions with Ka-band downlink capabilities, experiment plans are developed for telemetry operations during superior solar conjunction. A general overview of the demonstration is given followed by a description of the mission planning during cruise, the primary science mission and superior conjunction. As part of the primary science mission planning the expected data return for various data optimization methods is calculated. These results indicate that, given MRO's data rates, a link optimized to use of at most two data rates, subject to a minimum availability of 90%, performs almost as well as a link with no limits on the number of data rates subject to the same minimum availability.

Ka-band↗

Three-Dimensional Numerical Modeling of Magnetohydrodynamic Augmented Propulsion Experiment

Over the past several years, NASA Marshall Space Flight Center has engaged in the design and development of an experimental research facility to investigate the use of diagonalized crossed-field magnetohydrodynamic (MHD) accelerators as a possible thrust augmentation device for thermal propulsion systems. In support of this effort, a three-dimensional numerical MHD model has been developed for the purpose of analyzing and optimizing accelerator performance and to aid in understanding critical underlying physical processes and nonideal effects. This Technical Memorandum fully summarizes model development efforts and presents the results of pretest performance optimization analyses. These results indicate that the MHD accelerator should utilize a 45deg diagonalization angle with the applied current evenly distributed over the first five inlet electrode pairs. When powered at 100 A, this configuration is expected to yield a 50% global efficiency with an 80% increase in axial velocity and a 50% increase in centerline total pressure.

Turner, M. W.↗

High Pressure Transcritical Combustion (HPTC Combustion)

Combustion is the predominant source of the energy in the US and worldwide, and an overwhelming majority in the transportation sector, particularly liquid hydrocarbons (i.e., gasoline, diesel and jet fuel). Engine manufacturers move to higher operating pressures, above and beyond the critical pressures of the fuel, in order to optimize performance, maximize efficiency and reduce pollutant formation. The design of the next generation of engines, however, are limited by a lack of fundamental understanding of the thermo-physical properties, fluid behavior and chemical kinetics at these high pressures. Terrestrial laboratory studies are hampered by the ubiquitous buoyant flow that renders fundamental experiments difficult and/or impossible to interpret. Studying high pressure transcritical phenomena in microgravity allows researchers to investigate the fundamental aspects of phase change, chemical kinetics and property evaluation in a simplified geometry without the complicating influence of a buoyancy-induced flow.

Combustion↗