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At least 91 records · Page 5

Crystal Growth Control

We present an innovative design of a vertical transparent multizone furnace which can operate in the temperature range of 25 C to 750 C and deliver thermal gradients of 2 C/cm to 45 C/cm for the commercial applications to crystal growth. The operation of the eight zone furnace is based on a self-tuning temperature control system with a DC power supply for optimal thermal stability. We show that the desired thermal profile over the entire length of the furnace consists of a functional combination of the fundamental thermal profiles for each individual zone obtained by setting the set-point temperature for that zone. The self-tuning system accounts for the zone to zone thermal interactions. The control system operates such that the thermal profile is maintained under thermal load, thus boundary conditions on crystal growth ampoules can be predetermined prior to crystal growth. Temperature profiles for the growth of crystals via directional solidification, vapor transport techniques, and multiple gradient applications are shown to be easily implemented. The unique feature of its transparency and ease of programming thermal profiles make the furnace useful for scientific and commercial applications for the determination of process parameters to optimize crystal growth conditions.

Duval, Walter M. B.↗

Effect of Processing on Precipitation Kinetics in Nano Polycrystalline 7075 Aluminum Alloy

Fairmount Technologies (FT) seeks to optimize the thermomechanical processing of Aluminum Alloy 7075. The target yield strength is 20% higher than commercially available 7075-T6 temper sheet which will enable structural light weighting by a similar magnitude and reduce the carbon footprint of the transportation sector. To reduce processing cost and make this commercially viable, it is important to understand physical mechanisms driving microstructural changes. A mesoscale phase-field model seeded with experimentally measured microstructures and assessed thermodynamic and kinetic properties will be developed and exercised using HPC at PNNL. It will account for the effect of deformation, temperature, and chemistry on precipitation kinetics in nanocrystalline microstructures. Our objective is to understand this “stress-aging” coupling by performing parametric simulations with mesoscale models for a better understanding of GP zone and η' formation in nanocrystalline 7075 Al. This will help FT optimize processing schedules to achieve desired microstructures that increase both strength and ductility.

36 MATERIALS SCIENCE↗

Fault friction, regional stress, and crust-mantle coupling in southern California from finite element models

To determine the correct fault rheology of the Transverse Ranges area of California, a new finite element to represent faults and a mangle drag element are introduced into a set of 63 simulation models of anelastic crustal strain. It is shown that a slip rate weakening rheology for faults is not valid in California. Assuming that mantle drag effects on the crust's base are minimal, the optimal coefficient of friction in the seismogenic portion of the fault zones is 0.4-0.6 (less than Byerly's law assumed to apply elsewhere). Depending on how the southern California upper mantle seismic velocity anomaly is interpreted, model results are improved or degraded. It is found that the location of the mantle plate boundary is the most important secondary parameter, and that the best model is either a low-stress model (fault friction = 0.3) or a high-stress model (fault friction = 0.85), each of which has strong mantel drag. It is concluded that at least the fastest moving faults in southern California have a low friction coefficient (approximtely 0.3) because they contain low strength hydrated clay gouges throughout the low-temperature seismogenic zone.

Bird, P.↗

Dynamic loading of spur gears with linear or parabolic tooth profile modification

A computer simulation was conducted to investigate the effects of both linear and parabolic tooth profile modification on the dynamic response of low-contact-ratio spur gears. The effect of the total amount of modification and the length of the modification zone were studied at various loads and speeds to find the optimal profile modification for minimal dynamic loading. Design charts consisting of normalized maximum dynamic load curves were generated for gear systems operated at various loads and with different tooth profile modification. An optimum profile modification can be determined from these design charts to minimize the dynamic loads of spur gear systems.

Lin, Hsiang Hsi↗

Dynamic loading of spur gears with linear or parabolic tooth profile modifications

A computer simulation was conducted to investigate the effects of both linear and parabolic tooth profile modification on the dynamic response of low-contact-ratio spur gears. The effect of the total amount of modification and the length of the modification zone were studied at various loads and speeds to find the optimal profile modification for minimal dynamic loading. Design charts consisting of normalized maximum dynamic load curves were generated for gear systems operated at various loads and with different tooth profile modification. An optimum profile modification can be determined from these design charts to minimize the dynamic loads of spur gear systems.

Lin, H. H.↗

Statistical Mechanics and Dynamics of the Outer Solar System.I. The Jupiter/Saturn Zone

We report on numerical simulations designed to understand how the solar system evolved through a winnowing of planetesimals accreeted from the early solar nebula. This sorting process is driven by the energy and angular momentum and continues to the present day. We reconsider the existence and importance of stable niches in the Jupiter/Saturn Zone using greatly improved numerical techniques based on high-order optimized multi-step integration schemes coupled to roundoff error minimizing methods.

numerical simulations planetesimals planet formati↗

Software for the grouped optimal aggregation technique

The grouped optimal aggregation technique produces minimum variance, unbiased estimates of acreage and production for countries, zones (states), or any designated collection of acreage strata. It uses yield predictions, historical acreage information, and direct acreage estimate from satellite data. The acreage strata are grouped in such a way that the ratio model over historical acreage provides a smaller variance than if the model were applied to each individual stratum. An optimal weighting matrix based on historical acreages, provides the link between incomplete direct acreage estimates and the total, current acreage estimate.

Brown, P. M.↗

Technology Maturity for the Habitable-zone Exoplanet Imaging Mission (HabEx) Concept

HabEx Architecture A is a 4m unobscured telescope mission concept optimized for direct imaging and spectroscopy of potentially habitable exoplanets, and also enables a wide range of general astrophysics science. The exoplanet detection and characterization drives the enabling core technologies. A hybrid starlight suppression approach of a starshade and coronagraph diversifies technology maturation risk. In this paper we assess these exoplanet-driven technologies, including elements of coronagraphs, starshades, mirrors, jitter mitigation, wavefront control, and detectors. By utilizing high technology readiness solutions where feasible, and identifying required technology development that can begin early, HabEx will be well positioned for assessment by the community in 2020 Astrophysics Decadal Survey.

Warwick, Steve↗

Hormone purification by isoelectric focusing in space

The objective of the program was the definition and development of optimal methods for electrophoretic separations in microgravity. The approach is based on a triad consisting of ground based experiments, mathematical modeling and experiments in microgravity. Zone electrophoresis is a rate process, where separation is achieved in uniform buffers on the basis of differences in electrophoretic mobilities. Optimization and modeling of continuous flow electrophoresis mainly concern the hydrodynamics of the flow process, including gravity dependent fluid convection due to density gradients and gravity independent electroosmosis. Optimization of focusing requires a more complex model describing the molecular transport processes involved in electrophoresis of interacting systems. Three different focusing instruments were designed, embodying novel principles of fluid stabilization. Fluid stability was achieved by: (1) flow streamlining by means of membrane elements in combination with rapid fluid recycling; (2) apparatus rotation in combination with said membrane elements; and (3) shear stress induced by rapid recycling through a narrow gap channel.

Bier, M.↗

Redesigning large-scale multimodal transit networks with shared autonomous mobility services

Here, this study addresses a large-scale multimodal transit network design problem, with Shared Autonomous Mobility Services (SAMS) as both transit feeders and an origin-to-destination mode. The framework captures spatial demand and modal characteristics, considers intermodal transfers and express services, determines transit infrastructure investment and path flows, and generates transit routes. A system-optimal multimodal transit network is designed with minimum total door-to-door generalized costs of users and operators, satisfying transit origin-destination demand within a pre-set infrastructure budget. Firstly, the geography, demand, and modes in each zone are characterized with continuous approximation. The decisions of network link investment and multimodal path flows in zonal connection optimization are formulated as a minimum-cost multi-commodity network flow (MCNF) problem and solved efficiently with a mixed-integer linear programming (MILP) solver. Subsequently, the route generation problem is solved by expanding the MCNF formulation to minimize intramodal transfers. The model is illustrated through a set of experiments with the Chicago network comprised of 50 zones and seven modes, under three scenarios. The computational results present savings in traveler journey time and operator cost demonstrating the potential benefits of collaboration between multimodal transit systems and SAMS.

Autonomous vehicles↗

Distributed Real-time Plume Monitoring for Deep Sea Mineral Extraction​

In the emerging industry of deep-sea mining for minerals and deposits (e.g. polymetallic nodules for nickel, cobalt, copper, and manganese), more data is required to understand the effects of sediment plume generation and predict the distribution of disturbed sediment. There are two main sources of plume generation, the first being at the active mining site where the “collector” directly removes the top layer of the sea floor. The other is the “midwater plume” consisting of unwanted sediment that was collected during extraction that is pumped back into the aphotic zone. The vast majority of plume generation is caused by the collector, causing detrimental and long-lasting impacts on seafloor ecosystems due to the lack of wave activity or strong currents at the sea floor. Therefore, it is crucial to invest in the infrastructure to support the study and constant monitoring over a large area of the sea floor where plume generation is present. Due to the limited number of usable channels and power requirements, current subsea wireless communications technologies are not well suited to instrumenting the large areas of the sea floor needed to monitor plume migration. The scope of this effort is to transition experimental demonstrations of high-bandwidth, full-duplex scalable underwater laser communications to the seafloor in an open ocean environment. Specifically tackling challenges associated with the dynamic nature of the subsea world, including but not limited to, deployment logistics, sustainability, and range. The goal is to enable the internet of underwater things for deep sea industries by broadening the capabilities of subsea communications. By using high-precision laser transmitters, many of the challenges current subsea optical systems face can be circumvented, such as power consumption, interference, and bandwidth limitations. This approach lends itself to wireless interlinking multi-node networks, in series or parallel, facilitating the implementation of a wide array of sensor types. This interlinking allows all the data gathered from the network to be processed through a single hardline uplink to the surface, lowering the complexity required for near real-time data processing. Additionally, the laser control systems produce metadata that can be used to help characterize the water column between the nodes. Combining data from various sensors such as turbidity, temperature, current velocity with metadata such as beam attenuation and deflection can produce a high-resolution model of sea floor conditions around an active mining zone. The resulting near real-time model can be used to optimize location and flow rate of the mining operation to minimize and quantify the environmental impact.

Mons, Ishan↗

Genetic algorithm optimization of a chemical kinetic mechanism for propane at engine relevant conditions

Propane has demonstrated significant potential for reductions in greenhouse gas and pollutant emissions in medium- and heavy-duty engine applications, but further improvements require accurate, compact, and scalable chemical kinetic mechanisms to design the next generation of propane fueled engines, particularly at the boosted operating conditions necessary to meet the power density demand of medium- and heavy-duty applications. In this work, six key chemical reactions were identified in a reduced mechanism with 70 species and 352 reactions through a sensitivity analysis performed at conditions typical of thermodynamic trajectories observed in a high compression ratio, long stroke engine operated on propane from throttled to boosted operating conditions. While the original mechanism was validated against rapid compression machine (RCM) data, it was found to overpredict experimental autoignition tendencies in 2-zone, 0-D SI engine simulations performed in Chemkin Pro. Subsequently, a genetic algorithm approach was used to optimize the six reaction rate parameters within established uncertainty bounds by performing RCM simulations and comparing to two independent sets of literature ignition delay times for propane, thus generating two new kinetic mechanisms. The first optimization achieved a mean absolute percent error (MPE) reduction in 2nd stage ignition delay of 61.4% in seven generations, while the second optimization utilized a newer experimental RCM dataset, and achieved MPE reduction of 56.7% in seven generations, and further marginal improvement to 57.8% reduction in 34 generations. Finally, the two mechanisms were then evaluated again in the 2-zone 0-D SI engine model in Chemkin Pro comparing typical mean and knocking cycle trajectories, and it was found that the second optimized mechanism provided better prediction of knock onset at the representative conditions evaluated in this work, particularly for higher load operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimization of Orifice Geometry for Cross-Flow Mixing in a Cylindrical Duct

Mixing of gaseous jets in a cross-flow has significant applications in engineering, one example of which is the dilution zone of a gas turbine combustor. Despite years of study, the design of the jet injection in combustors is largely based on practical experience. The emergence of NO(x) regulations for stationary gas turbines and the anticipation of aero-engine regulations requires an improved understanding of jet mixing as new combustor concepts are introduced. For example, the success of the staged combustor to reduce the emission of NO(x) is almost entirely dependent upon the rapid and complete dilution of the rich zone products within the mixing section. It is these mixing challenges to which the present study is directed. A series of experiments was undertaken to delineate the optimal mixer orifice geometry. A cross-flow to core-flow momentum-flux ratio of 40 and a mass flow ratio of 2.5 were selected as representative of a conventional design. An experimental test matrix was designed around three variables: the number of orifices, the orifice length-to- width ratio, and the orifice angle. A regression analysis was performed on the data to arrive at an interpolating equation that predicted the mixing performance of orifice geometry combinations within the range of the test matrix parameters. Results indicate that the best mixing orifice geometry tested involves eight orifices with a long-to-short side aspect ratio of 3.5 at a twenty-three degree inclination from the center-line of the mixing section.

Kroll, J. T.↗

Elemental zoning enhances mass transport in zeolite catalysts for methanol to hydrocarbons

Mass transport limitations in zeolite catalysts pose major hurdles for their optimal performance in diverse chemical reactions. Most approaches to reduce these restrictions focus on the synthesis of either hierarchical or nanosized zeolites. Here we demonstrate that the existence of a siliceous, catalytically inactive exterior rim on ZSM-5 particles dramatically reduces the diffusion limitations, which leads to an enhanced catalyst lifetime for the methanol-to-hydrocarbon reaction. In this study, our findings reveal that binary inorganic and organic structure-directing agents enable a one-pot synthesis of Si-zoned ZSM-5 catalysts with diffusion properties that are characteristic of particles with a much smaller size. Operando ultraviolet–visible light diffuse reflectance spectroscopy reveals a marked reduction in external coking among Si-zoned samples. Molecular dynamics simulations to assess the diffusion of methanol and benzene in siliceous pores and in those with Brønsted acids reveal substantially reduced transport limitations in zoned regions, consistent with the improved catalyst activity of Si-zoned zeolites relative to that of ZSM-5 with a homogeneous acid-site distribution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Growth interface study of CdTeSe crystals grown by the THM technique

The Traveling Heater Method (THM) is a widely accepted technique to grow high-quality detector grade CdTe and CdZnTe ingots, especially for X-ray and gamma-ray detector applications. Unlike melt-growth techniques, the growth interface for ingots produced by the THM technique consists of two different compounds, viz. the solidified region (just below the interface) consists of the compound to be grown (e.g., CdZnTe for CdZnTe growth), while the molten zone just above the growth interface consists of Te-rich CdZnTe. Thus, optimization of the growth parameters is critical to obtain a clean growth interface with the required shape and presence of minimal Te-rich inclusions. Here, in this study, CdTeSe ingots were grown employing the THM technique to investigate the growth interface. Both macroscopic and microscopic behavior of the interface were studied. The study revealed that a microscopically smooth growth interface can be achieved by optimizing the growth parameters, which is essential for obtaining high-quality, inclusion-free ingots.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Medial axis and local thickness computation using the Fast Sweeping Method

This report describes an efficient and robust voxel-based methodology for computing the medial axis, local thickness, and distance-to-skeleton of arbitrary three-dimensional geometries. It is assumed that the object can be represented by an exact or approximate signed distance function on a discrete grid. The gradient of such function is used to formulate a hyperbolic partial differential equation (PDE) that models the collapse of the position vector in space. By exploiting the causality property of the PDE, the Fast Sweeping Method is able to obtain the solution in a finite number of sweeps independent of the mesh resolution. The intersection of characteristic lines leads to the formation of shocks and a discrete bisector function is used to identify the medial axis. The same PDE approach is used to compute the local thickness inside the object and obtain the distance-to-skeleton field. Multiple examples are given in two and three dimensions along with a resolution study. The methodology has optimal complexity and yields subsecond computational times for geometries with over a million zones on a single core. The methodology is also capable of parallelization across shared and distributed memory architectures.

97 MATHEMATICS AND COMPUTING↗

Blunt-nosed swept supercritical LFC wings without nose flaps

To simplify the design of swept supercritical (SC) Laminar Flow Control (LFC) wings and maintain satisfactory low speed characteristics, blunt-nosed swept SC LFC wings without nose flaps and lower wing loadings were studied. Their boundary layer crossflow in the leading edge area is optimally controlled (1) by compensating the boundary layer crossflow of the front acceleration zone by an opposite crossflow in a downstream pressure rise area, (2) by maintaining a neutrally stable boundary layer crossflow by suction within a narrow spanwise suction strip located close to the wing attachment line in the front acceleration zone. The required suction massflow and power are then very small, especially considering the strongly stabilizing effect of surface and streamline curvature on crossflow stability.

Pfenninger, W.↗

Optimization of Orifice Geometry for Cross-Flow Mixing in a Cylindrical Duct

Mixing of gaseous jets in a cross-flow has significant applications in engineering, one example of which is the dilution zone of a gas turbine combustor. Despite years of study, the design of jet injection in combustors is largely based on practical experience. A series of experiments was undertaken to delineate the optimal mixer orifice geometry. A cross-flow to core-flow momentum-flux ratio of 40 and a mass flow ratio of 2.5 were selected as representative of an advanced design. An experimental test matrix was designed around three variables: the number of orifices, the orifice aspect ratio (long-to-short dimension), and the orifice angle. A regression analysis was performed on the data to arrive at an interpolating equation that predicted the mixing performance of orifice geometry combinations within the range of the test matrix parameters. Results indicate that mixture uniformity is a non-linear function of the number of orifices, the orifice aspect ratio, and the orifice angle. Optimum mixing occurs when the asymptotic mean jet trajectories are in the range of 0.35 less than r/R less than 0.5 (where r = 0 is at the mixer wall) at z/R = 1.0. At the optimum number of orifices, the difference between shallow-angled slots with large aspect ratios and round holes is minimal and either approach will lead to good mixing performance. At the optimum number of orifices, it appears possible to have two local optimums where one corresponds to an aspect ratio of 1.0 and the other to a high aspect ratio.

Sowa, W. A.↗