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At least 1,153 records · Page 64

Solute Nucleation and Growth in Supercritical Fluid Mixtures

This research effort is directed toward two primary scientific objectives: (1) to determine the gravitational effect on the measurement of nucleation and growth rates near a critical point and (2) to investigate the nucleation process in supercritical fluids to aid in the evaluation and development of existing theoretical models and practical applications. A nucleation pulse method will be employed for this investigation using a rapid expansion to a supersaturated state that is maintained for approximately 1 ms followed by a rapid recompression to a less supersaturated state that effectively terminates nucleation while permitting growth to continue. Nucleation, which occurs during the initial supersaturated state, is decoupled from growth by producing rapid pressure changes. Thermodynamic analysis, condensation modeling, apparatus design, and optical diagnostic design necessary for the initiation of a theoretical and experimental investigation of naphthalene nucleation from supercritical CO2 have been completed.

Smedley, Gregory T.↗

An Input Routine Using Arithmetic Statements for the IBM 704 Digital Computer

An input routine has been designed for use with FORTRAN or SAP coded programs which are to be executed on an IBM 704 digital computer. All input to be processed by the routine is punched on IBM cards as declarative statements of the arithmetic type resembling the FORTRAN language. The routine is 850 words in length. It is capable of loading fixed- or floating-point numbers, octal numbers, and alphabetic words, and of performing simple arithmetic as indicated on input cards. Provisions have been made for rapid loading of arrays of numbers in consecutive memory locations.

Turner, Don N.↗

Effects of Fiber Reinforcement Architecture on the Hygrothermal-Mechanical Performance of Polyimide Matrix Composites for Aeropropulsion Applications

A lightweight sandwich support structure, for the combustor chamber of a new generation liquid propellant rocket engine, was designed and fabricated using a polymer matrix composite (PMC) facesheet on a Ti honeycomb core. The PMC facesheet consisted of high stiffness carbon fiber, M40JB, and high temperature Polyimides, such as PMR-II-50 and HFPE-II-52. Six different fiber architectures; four harness satin (4HS) woven fabric, uni-tape, woven-uni hybrid, stitched woven fabric, stitched uni-tape and triaxial braided structures have been investigated for optimum stiffness-thickness-weight-hygrothermal performance design criteria for the hygrothermal-mechanical propulsion service exposure conditions including rapid heating up to 200 F/sec, maximum operating temperature of 600 F, internal pressure up to 100 psi. One of the specific objectives in this study is to improve composite blistering resistance in z-direction at minimum expense of in-plane mechanical properties. An extensive property-performance database including dry-wet mechanical properties at various temperatures, thermal-physical properties, such as blistering onset condition was generated for fiber architecture down-selection and design guidelines. Various optimized process methods such as vacuum bag compression molding, solvent assistant resin transfer molding (SaRTM), resin film infusion (RFI) and autoclaving were utilized for PMC panel fabrication depending on the architecture type. In the case of stitched woven fabric architecture, the stitch pattern in terms of stitch density and yarn size was optimized based on both in-plane mechanical properties and blistering performance. Potential reduction of the in-plane properties transverse to the line of stitching was also evaluated. Efforts have been made to correlate the experimental results with theoretical micro-mechanics predictions. Changes in deformation mechanism and failure sequences in terms of fiber architecture will be discussed.

Shin, E. Eugene↗

Extraction of Oxygen from the Martian Atmosphere

A mechanical process was designed for direct extraction of molecular oxygen from the martian atmosphere based on liquefaction of the majority component, CO2, followed by separation of the lower-boiling components. The atmospheric gases are compressed from about 0.007 bar to 13 bar and then cooled to liquefy most of the CO2. The uncondensed gases are further compressed to 30 bar or more, and then cooled again to recover water as ice and to remove much of the remaining CO2. The final gaseous products consisting mostly of nitrogen, oxygen, and carbon monoxide are liquefied and purified by cryogenic distillation. The liquefied CO2 is expanded back to the low-pressure atmosphere with the addition of heat to recover a majority of the compression energy and to produce the needed mechanical work. Energy for the process is needed primarily as heat to drive the CO2-based expansion power system. When properly configured, the extraction process can be a net producer of electricity. The conceptual design, termed 'MARRS' for Mars Atmosphere Resource Recovery System, was based on the NASA/JSC Mars Reference Mission (MRM) requirement for oxygen. This mission requires both liquid oxygen for propellant, and gaseous oxygen as a component of air for the mission crew. With single redundancy both for propellant and crew air, the oxygen requirement for the MRM is estimated at 5.8 kg/hr. The process thermal power needed is about 120 kW, which can be provided at 300-500 C. A lower-cost nuclear reactor made largely of stainless steel could serve as the heat source. The chief development needed for MARRS is an efficient atmospheric compression technology, all other steps being derived from conventional chemical engineering separations. The conceptual design describes an exceptionally low-mass compression system that can be made from ultra-lightweight and deployable structures. This system adapts to the rapidly changing martian environment to supply the atmospheric resource to MARRS at constant conditions.

England, C.↗

Estimation of grain boundary segregation enthalpy and its role in stable nanocrystalline alloy design

Grain boundary segregation provides a method for stabilization of nanocrystalline metals—an alloying element that will segregate to the boundaries can lower the grain boundary energy, attenuating the driving force for grain growth. The segregation strength relative to the mixing enthalpy of a binary system determines the propensity for segregation stabilization. This relationship has been codified for the design space of positive enthalpy alloys; unfortunately, quantitative values for the grain boundary segregation enthalpy exist in only very few material systems, hampering the prospect of nanocrystalline alloy design. We present a Miedema-type model for estimation of grain boundary segregation enthalpy, with which potential nanocrystalline phase-forming alloys can be rapidly screened. Calculations of the necessary enthalpies are made for ~2500 alloys and used to make predictions about nanocrystalline stability.

36 MATERIALS SCIENCE↗

Assessing state-of-the-art capabilities for probing the atmospheric boundary layer: The XPIA field campaign

To assess current capabilities for measuring flow within the atmospheric boundary layer, including within wind farms, the U.S. Dept. of Energy sponsored the eXperimental Planetary boundary layer Instrumentation Assessment (XPIA) campaign at the Boulder Atmospheric Observatory (BAO) in spring 2015. Herein, we summarize the XPIA field experiment, highlight novel measurement approaches, and quantify uncertainties associated with these measurement methods. Line-of-sight velocities measured by scanning lidars and radars exhibit close agreement with tower measurements, despite differences in measurement volumes. Virtual towers of wind measurements, from multiple lidars or radars, also agree well with tower and profiling lidar measurements. Estimates of winds over volumes from scanning lidars and radars are in close agreement, enabling assessment of spatial variability. Strengths of the radar systems used here include high scan rates, large domain coverage, and availability during most precipitation events, but they struggle at times to provide data during periods with limited atmospheric scatterers. In contrast, for the deployment geometry tested here, the lidars have slower scan rates and less range, but provide more data during non-precipitating atmospheric conditions. Microwave radiometers provide temperature profiles with approximately the same uncertainty as Radio-Acoustic Sounding Systems (RASS). Using a motion platform, we assess motion-compensation algorithms for lidars to be mounted on offshore platforms. As a result, we highlight cases for validation of mesoscale or large-eddy simulations, providing information on accessing the archived dataset. We conclude that modern remote sensing systems provide a generational improvement in observational capabilities, enabling resolution of fine-scale processes critical to understanding inhomogeneous boundary-layer flows.

17 WIND ENERGY↗

Binder jet additive manufacturing method to fabricate near net shape crack-free highly dense Fe-6.5 wt.% Si soft magnets

High silicon (Si) electrical steel has the potential for efficient use in applications such as electrical motors and generators with cost-effective in processing, but it is difficult to manufacture. Increasing the Si content beyond 3 wt.% improves magnetic and electrical properties, with 6.5 wt.% being achievable. The main goal of this research is to design, develop, and implement a scalable additive manufacturing process to fabricate Fe with 6.5 wt.% Si (Fe–6Si) steel with high magnetic permeability, high electrical resistivity, low coercivity, and low residual induction that other methods cannot achieve because of manufacturing limitations. Binder jet additive manufacturing was used to deposit near net shape components that were subsequently sintered via solid-state sintering to achieve near full densification. Here, it is shown that the use of solid-state sintering mitigates cracking since no rapid solidification occurs unlike fusion-based additive technologies. The Fe–6Si samples demonstrated an ultimate tensile strength of 434 MPa, electrical resistivity of 98 μΩ cm, and saturation magnetization of 1.83 T with low coercivity and high permeability. The results strongly supports to replace the only available 0.1 mm thick chemical vapor deposition (CVD) produced Si steel using the cost effective AM method with good mechanical and magnetic properties for motor ap

36 MATERIALS SCIENCE↗

Thermal dewetting with a chemically heterogeneous nano-template for self-assembled L1 0 FePt nanoparticle arrays

In this paper, a design for the fabrication of metallic nanoparticles is presented by thermal dewetting with a chemically heterogeneous nano-template. For the template, we fabricate a nanostructured polystyrene-b-polydimethylsiloxane (PS-b-PDMS) film on a Si|SiO 2 substrate, followed by a thermal annealing and reactive ion etching (RIE) process. This gives a template composed of an ordered hexagonal array of SiOC hemispheres emerging in the polystyrene matrix. After the deposition of a FePt film on this template, we utilize the rapid thermal annealing (RTA) process, which provides in-plane stress, to achieve thermal dewetting and structural ordering of FePt simultaneously. Since the template is composed of different composition surfaces with periodically varied morphologies, it offers more tuning knobs to manipulate the nanostructures. We show that both the decrease in the area of the PS matrix and the increase in the strain energy relaxation transfer the dewetted pattern from the randomly distributed nanoparticles into a hexagonal periodic array of L1 0 FePt nanoparticles. Transmission electron microscopy with the in situ heating stage reveals the evolution of the dewetting process, and confirms that the positions of nanoparticles are aligned with those of the SiOC hemispheres. The nanoparticles formed by this template-dewetting show an average diameter and center-to-center distance of 19.30 ± 2.09 nm and 39.85 ± 4.80 nm, respectively. The hexagonal array of FePt nanoparticles reveals a large coercivity of 1.5 T, much larger than the nanoparticles fabricated by top-down approaches. Lastly, this approach offers an efficient pathway toward self-assembled nanostructures in a wide range of material systems.

36 MATERIALS SCIENCE↗

Hvac: Removing I/O Bottleneck for Large-Scale Deep Learning Applications

Scientific communities are increasingly adopting deep learning (DL) models in their applications to accelerate scientific discovery processes. However, with rapid growth in the computing capabilities of HPC supercomputers, large-scale DL applications have to spend a significant portion of training time performing I/O to a parallel storage system. Previous research works have investigated optimization techniques such as prefetching and caching. Unfortunately, there exist non-trivial challenges to adopting the existing solutions on HPC supercomputers for large-scale DL training applications, which include non-performance and/or failures at extreme scale, lack of portability and generality in design, complex deployment methodology, and being limited to a specific application or dataset. To address these challenges, we propose High-Velocity AI Cache (HVAC), a distributed read-cache layer that targets and fully exploits the node-local storage or near node-local storage technology. HVAC seamlessly accelerates read I/O by aggregating node-local or near node-local storage, avoiding metadata lookups and file locking while preserving portability in the application code. We deploy and evaluate HVAC on 1,024 nodes (with over 6000 NVIDIA V100 GPUS) of the Summit supercomputer. In particular, we evaluate the scalability, efficiency, accuracy, and load distribution of HVAC compared to GPFS and XFS-on-NVMe. With four different DL applications, we observe an average 25 % performance improvement atop GPFS and 9% drop against XFS-on-NVMe, which scale linearly and are considered the performance upper bound. We envision HVAC as an important caching library for upcoming HPC supercomputers such as Frontier.

Khan, Awais↗

Integration of physiologically relevant photosynthetic energy flows into whole genome models of light‐driven metabolism

SUMMARY Characterizing photosynthetic productivity is necessary to understand the ecological contributions and biotechnology potential of plants, algae, and cyanobacteria. Light capture efficiency and photophysiology have long been characterized by measurements of chlorophyll fluorescence dynamics. However, these investigations typically do not consider the metabolic network downstream of light harvesting. By contrast, genome‐scale metabolic models capture species‐specific metabolic capabilities but have yet to incorporate the rapid regulation of the light harvesting apparatus. Here, we combine chlorophyll fluorescence parameters defining photosynthetic and non‐photosynthetic yield of absorbed light energy with a metabolic model of the pennate diatom Phaeodactylum tricornutum. This integration increases the model predictive accuracy regarding growth rate, intracellular oxygen production and consumption, and metabolic pathway usage. Through the quantification of excess electron transport, we uncover the sequential activation of non‐radiative energy dissipation processes, cross‐compartment electron shuttling, and non‐photochemical quenching as the rapid photoacclimation strategy in P. tricornutum. Interestingly, the photon absorption thresholds that trigger the transition between these mechanisms were consistent at low and high incident photon fluxes. We use this understanding to explore engineering strategies for rerouting cellular resources and excess light energy towards bioproducts in silico . Overall, we present a methodology for incorporating a common, informative data type into computational models of light‐driven metabolism and show its utilization within the design–build–test–learn cycle for engineering of photosynthetic organisms.

59 BASIC BIOLOGICAL SCIENCES↗

Beam Hardening Artifact Reduction in X-Ray CT Reconstruction of 3D Printed Metal Parts Leveraging Deep Learning and CAD Models

Nondestructive evaluation (NDE) of additively manufactured (AM) parts is important for understanding the impacts of various process parameters and qualifying the built part. X-ray computed tomography (XCT) has played a critical role in rapid NDE and characterization of AM parts. However, XCT of metal AM parts can be challenging because of artifacts produced by standard reconstruction algorithms as a result of a confounding effect called “beam hardening.” Beam hardening artifacts complicate the analysis of XCT images and adversely impact the process of detecting defects, such as pores and cracks, which is key to ensuring the quality of the parts being printed. In this work, we propose a novel framework based on using available computer-aided design (CAD) models for parts to be manufactured, accurate XCT simulations, and a deep-neural network to produce high-quality XCT reconstructions from data that are affected by noise and beam hardening. Using extensive experiments with simulated data sets, we demonstrate that our method can significantly improve the reconstruction quality, thereby enabling better detection of defects compared with the state of the art. We also present promising preliminary results of applying the deep networks trained using CAD models to experimental data obtained from XCT of an AM jet-engine turbine blade.

Ziabari, Amir↗

Algebraic Multigrid with Filtering: An Efficient Preconditioner for Interior Point Methods in Large-Scale Contact Mechanics Optimization

Large-scale contact mechanics simulations are crucial in many engineering fields such as structural design and manufacturing. In the frictionless case, contact can be modeled by minimizing an energy functional; however, these problems are often nonlinear, nonconvex, and increasingly difficult to solve as mesh resolution increases. In this work, we employ a Newton-based interior-point (IP) filter line-search method, an effective approach for large-scale constrained optimization. While this method converges rapidly, each iteration requires solving a large saddle-point linear system that becomes ill-conditioned as the optimization process converges, largely due to IP treatment of the contact constraints. Such ill-conditioning can hinder solver scalability and increase iteration counts with mesh refinement. Here, to address this, we introduce a novel preconditioner, algebraic multigrid with filtering (AMGF), tailored to the Schur complement of the saddle-point system. Building on the classical AMG solver, commonly used for elasticity, we augment it with a specialized subspace correction that filters near null space components introduced by contact interface constraints. Through theoretical analysis and numerical experiments on a range of linear and nonlinear contact problems, we demonstrate that the proposed solver achieves mesh independent convergence and maintains robustness against the ill-conditioning that notoriously plagues IP methods. These results indicate that AMGF makes contact mechanics simulations more tractable and broadens the applicability of Newton-based IP methods in challenging engineering scenarios. More broadly, AMGF is well suited for problems, optimization or otherwise, where solver performance is limited by a low-dimensional subspace, such as those arising from localized constraints, interface conditions, or model heterogeneities. This makes the method widely applicable beyond contact mechanics and constrained optimization.

Mathematics and Computing↗

Superconducting RF Technology R&D for Future Accelerator Applications

Superconducting rf (SRF) technology is evolving rapidly, as are its applications. While there is active exploitation of what one may call the current state-of-the-practice, there is also rapid progress in expanding in several dimensions the accessible and useful parameter space. While state-of-the-art performance sometimes outpaces thorough understanding, the improving scientific understanding from active SRF research is clarifying routes to obtain optimum performance from present materials and opening avenues beyond the standard bulk niobium. The improving technical basis understanding is enabling process engineering to improve both performance confidence and reliability and also unit implementation costs. Increasing confidence in the technology enables the engineering of new creative application designs. We attempt to survey this landscape to highlight the potential for future accelerator applications.

43 PARTICLE ACCELERATORS↗

Report on the Update and Codification of Expert Knowledge into ASTM Standard Practice E521

The overall purpose of the Grand Challenge Integrated Research Project (IRP), Accelerating the Qualification of Materials to Enable Rapid Deployment of Advanced Reactors, is to fulfill several objectives. The first objective is to complete and demonstrate/establish the process for predicting the microstructure and properties of structural materials in reactor and at high doses using ion irradiation as an accurate predictive tool for assessing behavior under reactor irradiation. The second objective is for this process to be adopted as part of an ASTM standard, and to work with the US Nuclear Regulatory Commission to utilize this standard in licensing decisions on advanced reactor designs for which such data are nonexistent or impractical to achieve. The need for standardized procedures is apparent based on the outcomes of a recent round-robin experiment from laboratories using ion beams for radiation damage studies and the roadmap for ion beam technologies to address challenges for the advancement of nuclear energy technologies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Report on the Update and Codification of Expert Knowledge into ASTM Standard Practice E521

The overall purpose of the Grand Challenge Integrated Research Project (IRP), Accelerating the Qualification of Materials to Enable Rapid Deployment of Advanced Reactors, is to fulfill several objectives. The first objective is to complete and demonstrate/establish the process for predicting the microstructure and properties of structural materials in reactor and at high doses using ion irradiation as an accurate predictive tool for assessing behavior under reactor irradiation. The second objective is for this process to be adopted as part of an ASTM standard, and to work with the US Nuclear Regulatory Commission to utilize this standard in licensing decisions on advanced reactor designs for which such data are nonexistent or impractical to achieve. The need for standardized procedures is apparent based on the outcomes of a recent round-robin experiment from laboratories using ion beams for radiation damage studies and the roadmap for ion beam technologies to address challenges for the advancement of nuclear energy technologies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Microwave properties of peeled HEMT devices sapphire substrates

The focus of this research is to demonstrate the first full radio frequency characterization of high electron mobility transistor (HEMT) device parameters. The results of this research are used in the design of circuits with peeled HEMT devices, e.g. 10 GHz amplifiers. Devices were fabricated using two HEMT structures grown by molecular beam epitaxy methods. A 500 A AlAs release layer for 'peel off' was included under the active layers of the structure. The structures are a homogeneously doped Al(0.3)GA(0.7)As/GaAs and a delta doped square well Al(.23)Ga(.77)As/GaAs HEMT structure. Devices were fabricated using a mesa isolation process. Contacts were done by sequentially evaporating Au/Ge/Au/Ni/Au followed by rapid thermal anneal at 400 C for 15 seconds. Gates were wet etch recessed and 1 to 1.4 micron Ti/Au gate metal was deposited. Devices were peeled off the GaAs substrate using Apiezon wax to support the active layer and a HF:DI (1:10) solution to remove the AlAs separation layer. Devices were then attached to sapphire substrates using van der Waals bonding.

Young, Paul G.↗

Constrained Multipoint Aerodynamic Shape Optimization Using an Adjoint Formulation and Parallel Computers

An aerodynamic shape optimization method that treats the design of complex aircraft configurations subject to high fidelity computational fluid dynamics (CFD), geometric constraints and multiple design points is described. The design process will be greatly accelerated through the use of both control theory and distributed memory computer architectures. Control theory is employed to derive the adjoint differential equations whose solution allows for the evaluation of design gradient information at a fraction of the computational cost required by previous design methods. The resulting problem is implemented on parallel distributed memory architectures using a domain decomposition approach, an optimized communication schedule, and the MPI (Message Passing Interface) standard for portability and efficiency. The final result achieves very rapid aerodynamic design based on a higher order CFD method. In order to facilitate the integration of these high fidelity CFD approaches into future multi-disciplinary optimization (NW) applications, new methods must be developed which are capable of simultaneously addressing complex geometries, multiple objective functions, and geometric design constraints. In our earlier studies, we coupled the adjoint based design formulations with unconstrained optimization algorithms and showed that the approach was effective for the aerodynamic design of airfoils, wings, wing-bodies, and complex aircraft configurations. In many of the results presented in these earlier works, geometric constraints were satisfied either by a projection into feasible space or by posing the design space parameterization such that it automatically satisfied constraints. Furthermore, with the exception of reference 9 where the second author initially explored the use of multipoint design in conjunction with adjoint formulations, our earlier works have focused on single point design efforts. Here we demonstrate that the same methodology may be extended to treat complete configuration designs subject to multiple design points and geometric constraints. Examples are presented for both transonic and supersonic configurations ranging from wing alone designs to complex configuration designs involving wing, fuselage, nacelles and pylons.

Reuther, James↗

Compact, High Energy 2-micron Coherent Doppler Wind Lidar Development for NASA's Future 3-D Winds Measurement from Space

This paper presents an overview of 2-micron laser transmitter development at NASA Langley Research Center for coherent-detection lidar profiling of winds. The novel high-energy, 2-micron, Ho:Tm:LuLiF laser technology developed at NASA Langley was employed to study laser technology currently envisioned by NASA for future global coherent Doppler lidar winds measurement. The 250 mJ, 10 Hz laser was designed as an integral part of a compact lidar transceiver developed for future aircraft flight. Ground-based wind profiles made with this transceiver will be presented. NASA Langley is currently funded to build complete Doppler lidar systems using this transceiver for the DC-8 aircraft in autonomous operation. Recently, LaRC 2-micron coherent Doppler wind lidar system was selected to contribute to the NASA Science Mission Directorate (SMD) Earth Science Division (ESD) hurricane field experiment in 2010 titled Genesis and Rapid Intensification Processes (GRIP). The Doppler lidar system will measure vertical profiles of horizontal vector winds from the DC-8 aircraft using NASA Langley s existing 2-micron, pulsed, coherent detection, Doppler wind lidar system that is ready for DC-8 integration. The measurements will typically extend from the DC-8 to the earth s surface. They will be highly accurate in both wind magnitude and direction. Displays of the data will be provided in real time on the DC-8. The pulsed Doppler wind lidar of NASA Langley Research Center is much more powerful than past Doppler lidars. The operating range, accuracy, range resolution, and time resolution will be unprecedented. We expect the data to play a key role, combined with the other sensors, in improving understanding and predictive algorithms for hurricane strength and track. 1

Singh, Upendra N.↗