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At least 397 records · Page 22

Training material models using gradient descent algorithms

High temperature design requires accurate constitutive models to describe material inelastic deformation and failure behavior. Oftentimes, calibrating accurate models devolves into the problem of fitting the model parameters against experimental test data. Here, we present the pyopmat package, an open source framework for calibrating constitutive models against experiment data subjected to various loading conditions using machine learning techniques. The package calculates the exact gradient of the model response with respect to the parameters using a combination of automatic differentiation and the adjoint method. Given this exact gradient, we compare the performance of several gradient-based optimization techniques in fitting realistic constitutive models against data. Here, we demonstrate the efficiency and accuracy of our package through example problems using both synthetic data, generated using known parameter sets, under monotonic and cyclic loading conditions and also with an example applying the techniques developed here to actual high temperature creep-fatigue test data.

36 MATERIALS SCIENCE↗

Sedimentary Geothermal Resources in Nevada, Utah, Colorado, and Texas

The objectives of this project were to (1) perform a literature review of sedimentary geothermal resources, (2) identify data sources and develop data-collection methodologies that characterize selected resources, (3) screen sedimentary basins and formations for sedimentary geothermal potential, and (4) evaluate the technical feasibility of one or more selected locations. Numerous publications have characterized geothermal resources within sedimentary basins. A literature search reviewed publications describing resources located in Colorado, Louisiana, Nevada, Texas, Utah, and Wyoming. The most attractive resources have high temperature gradients, low drilling costs, and reservoir permeabilities greater than 10 millidarcies (mD). Prospects in Colorado, Nevada, Texas, and Utah exhibit attractive characteristics and were chosen for further analysis. Sedimentary resources in Nevada and Utah are most attractive, followed by tested resources in Texas and untested resources in Colorado. The identified resources in Wyoming and Louisiana had lower geothermal gradients and were not evaluated. Reservoir modeling and techno-economic analysis were performed at Marys River Basin–North in Nevada. Geothermal energy production at this location is expected to have a levelized cost of energy (LCOE) ranging between 10 and 20 cents/kWh. Additional work may result in lower LCOE estimates at this location and at other attractive prospects in these three regions. The Great Basin carbonate and alluvial aquifer system of eastern Nevada and western Utah includes a lower carbonate aquifer unit, which has the potential for hosting both conduction- and convection-dominated geothermal systems. Mapping has identified lateral thickness variability expressed as a roughly 120–150-km-wide central corridor, which hosts the thickest and most continuous formations and extends from near Las Vegas north to the Idaho border. Purchase and analysis of privately held legacy seismic data could potentially compensate for the lack of sufficient data documenting measured depth to the lower carbonate aquifer unit. Multiple orogenies, extension episodes, and intrusive events have deformed and displaced the target formations of the lower carbonate aquifer unit. This structural complexity and potential for dipping reservoirs emphasizes the need for detailed geological, geophysical, and reservoir modeling. Heat flow within three Colorado sedimentary basins reviewed as part of this study was calculated in targeted studies by the Colorado Geologic Survey and Colorado School of Mines. These calculations are based on bottom-hole temperature data sets with significant limitations and some variability but produce values consistently higher than the global continental average of 65 mW/m2 for all three basins. Heat flow in the Raton Basin is the highest; however, permeability measurements from specific sedimentary formations with high heat flow have not been obtained. Promising formations for sedimentary geothermal systems were found in all three regions studied—Nevada-Utah, Colorado, and Texas. The next steps for developing sedimentary geothermal resources vary due to differences in available data and resource uncertainties. Additional scopes of work are recommended for identified basins in these three regions.

15 GEOTHERMAL ENERGY↗

High-Order Hyperbolic Residual-Distribution Schemes on Arbitrary Triangular Grids

In this paper, we construct high-order hyperbolic residual-distribution schemes for general advection-diffusion problems on arbitrary triangular grids. We demonstrate that the second-order accuracy of the hyperbolic schemes can be greatly improved by requiring the scheme to preserve exact quadratic solutions. We also show that the improved second-order scheme can be easily extended to third-order by further requiring the exactness for cubic solutions. We construct these schemes based on the LDA and the SUPG methodology formulated in the framework of the residual-distribution method. For both second- and third-order-schemes, we construct a fully implicit solver by the exact residual Jacobian of the second-order scheme, and demonstrate rapid convergence of 10-15 iterations to reduce the residuals by 10 orders of magnitude. We demonstrate also that these schemes can be constructed based on a separate treatment of the advective and diffusive terms, which paves the way for the construction of hyperbolic residual-distribution schemes for the compressible Navier-Stokes equations. Numerical results show that these schemes produce exceptionally accurate and smooth solution gradients on highly skewed and anisotropic triangular grids, including curved boundary problems, using linear elements. We also present Fourier analysis performed on the constructed linear system and show that an under-relaxation parameter is needed for stabilization of Gauss-Seidel relaxation.

Mazaheri, Alireza↗

High-performance ECRH at W7-X: experience and perspectives

The second operation phase of W7-X (OP1.2) showed the potential of exclusively electron cyclotron resonance heating (ECRH)-sustained plasma operations in stellarators. Employing multi-pass ECRH scenario in the second harmonic O-mode (O2-ECRH), stationary densities of up to 1.4 × 10 20 m -3 could be achieved. This scenario also made stationary divertor detachment possible, which is a reactor-relevant scenario for power and particle exhaust. At high densities and with sufficiently high density gradients for an improved ion confinement, the coupling between the electrons and ions was strong enough to bring the ion temperature to values above 3 keV and to the neoclassical limit for some magnetic configurations, thus enabling to test the W7-X neoclassical optimization. The planned enhancement of the ECRH performance will enable to advance towards reactor-relevant beta values and to investigate their stability and confinement of fast particles, which is a priority goal of W7-X.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Microstructural Development during Directional Solidification of Peritectic Alloys

A thorough understanding of the microstructures produced through solidification in peritectic systems has yet to be achieved, even though a large number of industrially and scientifically significant materials are in this class. One type of microstructure frequently observed during directional solidification consists of alternating layers of primary solid and peritectic solid oriented perpendicular to the growth direction. This layer formation is usually reported for alloy compositions within the two-phase region of the peritectic isotherm and for temperature gradient and growth rate conditions that result in a planar solid-liquid interface. Layered growth in peritectic alloys has not previously been characterized on a quantitative basis, nor has a mechanism for its formation been verified. The mechanisms that have been proposed for layer formation can be categorized as either extrinsic or intrinsic to the alloy system. The extrinsic mechanisms rely on externally induced perturbations to the system for layer formation, such as temperature oscillations, growth velocity variations, or vibrations. The intrinsic mechanisms approach layer formation as an alternative type of two phase growth that is inherent for certain peritectic systems and solidification conditions. Convective mixing of the liquid is an additional variable which can strongly influence the development and appearance of layers due to the requisite slow growth rate. The first quantitative description of layer formation is a model recently developed by Trivedi based on the intrinsic mechanism of cyclic accumulation and depiction of solute in the liquid ahead of the interface, linked to repeated nucleation events in the absence of convection. The objective of this research is to characterize the layered microstructures developed during ground-based experiments in which external influences have been minimized as much as possible and to compare these results to the current the model. Also, the differences between intrinsic and externally influenced layer formation were explored. The choice of alloy system is critical to a study of the formation of layered microstructures. The ideal system would have a well-characterized phase diagram, equal densities of both elements in the liquid state to minimize compositionally-driven convective flows, a low peritectic temperature to simplify directional solidification and the achievement of a high temperature gradient in the liquid, a broad composition range for the peritectic reaction, and a reasonable hardness at room temperature to facilitate handling and metallographic preparation. The In-Sn system was selected initially due to a very low peritectic temperature and the nearly equal densities of In and Sn in the liquid state. Since the In-rich peritectic reaction had apparently not been utilized previously for solidification research, experiments were conducted to check the phase diagram in the region of interest. The alloys in this system proved to be difficult to handle and prepare in bulk form with the equipment available, so experiments were initiated with the Sn-Cd system. Layered microstructures had been observed previously in Sn-Cd.

Lograsso, Thomas A.↗

CO2 partial pressure and fluxes in the Amazon River Plume using in situ and remote sensing data

Estimations of the global carbon budget include a quantitative understanding of the evolving processes that occur along river-to-ocean gradients. However, high spatiotemporal resolution observations of these processes are limited. Here we present in situ measurements of the partial pressure of CO2 (pCO2) made through the Amazon River plume (ARP) during different discharge seasons, from 2010-2012. We evaluated the spatiotemporal distribution of pCO2 using Soil Moisture and Ocean Salinity (SMOS) satellite observations for each hydrologic period in the ARP. Regression models were used to estimate pCO2 at the ARP for the period of 2010-2014. From these distributions we calculated sea-air gas exchange of CO2 between the plume waters and the atmosphere (F_co2^sea). Intra-annual variability of F_co2^sea was related to discharge at the river mouth and ocean currents as well as trade winds in the plume. Climatic events during the study period had a significant impact on the F_co2^sea. Including the plume area closer to the river mouth makes the ARP a net source of CO2 with an annual net sea-air flux of 8.6 ±7.1 Tg C y-1 from 2011-2014.

Amazon↗

Accelerated creep profiling: a high-throughput thermal- and stress-gradient approach applied to additive and wrought stainless steel

Here, this study investigates logarithmic creep behavior at temperatures near room temperature in wrought and additively manufactured (AM) 316 L austenitic stainless steel. A novel high-throughput (HiTp) methodology employed thermal gradients to obtain stress- and temperature-dependence of creep behavior. The findings, based on 104 two-week creep tests, reveal significant differences in creep response between wrought and AM materials. Compared to the wrought material, the AM material exhibited a higher activation energy and a lower activation volume. These differences were attributed to the materials’ distinct microstructural features, e.g., dislocation cell structures and precipitate distributions, which alter the susceptibility to dislocation glide creep, particularly at stresses below the yield stress. The HiTp methodology provides both an accelerated determination of low-temperature creep mechanisms, offering critical data for the design and optimization of alloys in near-ambient, high stress applications.

316 L Stainless steel↗

Ecohydrology of wetland plant communities along an estuarine to tidal river gradient

Abiotic filters that interact with wetland plant communities along tidal–fluvial gradients are highly dynamic, and understanding their quantitative thresholds and relationships to interspecific competition is important during an era of sea-level rise and watershed hydrologic change. Yet, landscape-scale studies of major coastal rivers from the river mouth to the head of tide, such as this study, remain rare. Here, we develop a new predictive framework for estuarine–tidal river research and management using a river-specific low-water datum and the wetland inundation indicator SEVg, the growing-season sum exceedance value of hourly surface-water depth. The distribution and variability of the wetland species pool (n = 203) on the 234 river kilometer (rkm) lower Columbia River and estuary floodplain are described for the first time. 4,940 quadrats at 50 marshes were surveyed (2005–2016). Throughout the estuarine–tidal river system, SEVg was well suited to describe the wetland inundation regime and its variability based on the combination of longitudinal river position and elevation. SEVg increased significantly landward. Two primary wetland inundation regimes were identified: the seaward-tidal, usually greatest during the winter months, and landward-fluvial, greatest during the growing season. Nearest the ocean, salinity is the abiotic factor limiting species richness and non-native species. Farther upriver, the daily, seasonal, and interannual variability of the wetting and drying cycle encourage disturbance-tolerant species and non-natives and limit the number of hydrophytes and total vegetative cover. Hence, the average between-year similarity of site-scale areal cover significantly decreased landward. Hierarchical cluster analysis indicated five vegetative groups and five ecohydrologic zones between rkm 0 and 234 were discriminated with 76 significant species–zone associations. All zones had unique indicator species. Species with high indicator values were Carex lyngbyei throughout the estuarine zones, and Eleocharis palustris, Sagittaria latifolia, and the invasive non-native Phalaris arundinacea in the upper estuarine and lower, middle, and upper tidal river zones (IV > 0.90). Competition from C. lyngbyei nearest the ocean and P. arundinacea in the tidal river was associated with reduced species richness when total cover was >65%. This framework of filters informs the design and prediction of future wetland plant communities on coastal river floodplains.

54 ENVIRONMENTAL SCIENCES↗

Grain Structure Evolution in Fe-6Si During Directed Energy Deposition

The purpose of this study is to explore the effect of additive manufacturing (AM) process variables on the grain structure of Fe-6Si, a soft-magnetic alloy used in electrical machine and grid applications. Samples were fabricated with laser engineered net shaping (LENS) with varying inter-pass timing and numbers of unidirectional passes. Here the results show that the grain structure was affected by both solidification and solid-state grain growth mechanisms. A model of the LENS process suggests that, although shorter inter-pass times encourage greater nucleation of new grains and therefore grain refinement during solidification, these conditions also help maintain high solid-state temperatures that allow for grain boundary motion to keep pace with the build rate. Grains formed under these conditions may span multiple layers, and the high-temperature gradient promotes directional growth. This new understanding of these microstructure evolution mechanisms will aid in using process conditions to control the competition between solidification and solid-state grain growth to create grain structures that may not be possible with conventional processing.

36 MATERIALS SCIENCE↗

Multi-scale microstructural investigation of a laser 3D printed Ni-based superalloy

The heterogeneous microstructure of a laser 3D printed Ni-based superalloy was examined at multiple length scales. The sub-millimeter-sized columnar crystal grains are composed of micron-sized cellular colonies. The crystal grains grow in epitaxy with the substrate under the large temperature gradient and high cooling rate. The cell boundaries, decorated with γ/γ' eutectics, μ-phase precipitates and high density of dislocations, show enrichment of γ' forming elements and low-angle misorientations. Dislocations trapped in the intra-cellular regions are characterized as statistically stored dislocations with no detectable contribution to lattice curvature, and are the results of the interaction between dislocations and γ' precipitates.

36 MATERIALS SCIENCE↗

Free electron lasers driven by plasma accelerators: status and near-term prospects

Owing to their ultra-high accelerating gradients, combined with injection inside micrometer-scale accelerating wakefield buckets, plasma-based accelerators hold great potential to drive a new generation of free-electron lasers (FELs). Indeed, the first demonstration of plasma-driven FEL gain was reported recently, representing a major milestone for the field. Several groups around the world are pursuing these novel light sources, with methodology varying in the use of wakefield driver (laser-driven or beam-driven), plasma structure, phase-space manipulation, beamline design, and undulator technology, among others. This paper presents our best attempt to provide a comprehensive overview of the global community efforts towards plasma-based FEL research and development.

47 OTHER INSTRUMENTATION↗

Sand Migration Simulation during Gas Production from Gas Hydrate Reservoir at Kuparuk 7–11–12 site in the Prodhoe Bay Unit, Alaska

Uncontrolled sand production impedes continuous gas production from a hydrate reservoir as observed in the past field-scale gas production tests. Sand mobilization is strongly linked with sediment deformation and high pressure gradient. Sand production occurs when the mobilized sands reach the well. Throughout gas production from a hydrate reservoir, because of hydrate dissociation, deformation and pressure gradient change both in time and space. Therefore, it is necessary to consider the entire process to identify where sand is likely mobilized and how much mobilized sand could reach the well. Here, this study utilizes a coupled thermal, hydrological, chemical, and mechanical (thermo-hydro-chemo-mechanical) sand migration model to simulate a year long gas production from the hydrate reservoir at the Kuparuk 7–11–12 site in the Prodhoe Bay Unit, Alaska. It is found that sand would mainly come from the lower portion of the production zone where faster hydrate dissociation occurs. The relatively faster hydrate dissociation coupled with the fact that hydrate-bearing sediments and hydrate-free sediments have similar stiffness but different strengths causes complex stress transfer, which results in excessive shear deformation when the upper portion of the production zone starts to dissociate. This is evident not only near the well but also away from the well, leading to a large amount of sand mobilization. Another focus of the modeling study is evaluation of the effect of sand migration on gas production. The comparison of two extreme cases–with sandscreen and without sandscreen–suggests that migrated and settled solids around a sand control device can prevent pressure drop across the near-wellbore zone and lead to reduction of the gas production rate.

59 BASIC BIOLOGICAL SCIENCES↗

Rethinking materials simulations: Blending direct numerical simulations with neural operators

Abstract Materials simulations based on direct numerical solvers are accurate but computationally expensive for predicting materials evolution across length- and time-scales, due to the complexity of the underlying evolution equations, the nature of multiscale spatiotemporal interactions, and the need to reach long-time integration. We develop a method that blends direct numerical solvers with neural operators to accelerate such simulations. This methodology is based on the integration of a community numerical solver with a U-Net neural operator, enhanced by a temporal-conditioning mechanism to enable accurate extrapolation and efficient time-to-solution predictions of the dynamics. We demonstrate the effectiveness of this hybrid framework on simulations of microstructure evolution via the phase-field method. Such simulations exhibit high spatial gradients and the co-evolution of different material phases with simultaneous slow and fast materials dynamics. We establish accurate extrapolation of the coupled solver with large speed-up compared to DNS depending on the hybrid strategy utilized. This methodology is generalizable to a broad range of materials simulations, from solid mechanics to fluid dynamics, geophysics, climate, and more.

36 MATERIALS SCIENCE↗

Efficient generation of grids and traversal graphs in compositional spaces towards exploration and path planning

Abstract Diverse disciplines across science and engineering deal with problems related to compositions, which exist in non-Euclidean simplex spaces, rendering many standard tools inaccurate or inefficient. This work explores such spaces conceptually in the context of materials discovery, quantifies their computational feasibility, and implements several essential methods specific to simplex spaces through a new high-performance open-source library . Most significantly, we derive and implement an algorithm for constructing a novel n-dimensional simplex graph data structure, containing all discretized compositions and possible neighbor-to-neighbor transitions. Critically, no distance or neighborhood calculations are performed, instead leveraging pure combinatorics and order in procedurally generated simplex grids, keeping the algorithm $${\mathcal{O}}(N)$$ O ( N ) , with minimal memory, enabling rapid construction of graphs with billions of transitions in seconds. Additionally, we demonstrate how such graph representations can be combined to homogeneously express complex path-planning problems, while facilitating efficient deployment of existing high-performance gradient descent, graph traversal, and other optimization algorithms.

Krajewski, Adam M. (ORCID:0000000222660099)↗

High energy electron diffraction instrument with tunable camera length

Ultrafast electron diffraction (UED) stands as a powerful technique for real-time observation of structural dynamics at the atomic level. In recent years, the use of MeV electrons from radio frequency guns has been widely adopted to take advantage of the relativistic suppression of the space charge effects that otherwise limit the temporal resolution of the technique. Nevertheless, there is not a clear choice for the optimal energy for a UED instrument. Scaling to beam energies higher than a few MeV does pose significant technical challenges, mainly related to the inherent increase in diffraction camera length associated with the smaller Bragg angles. In this study, we report a solution by using a compact post-sample magnetic optical system to magnify the diffraction pattern from a crystal Au sample illuminated by an 8.2 MeV electron beam. Our method employs, as one of the lenses of the optical system, a triplet of compact, high field gradients (>500 T/m), small-gap (3.5 mm) Halbach permanent magnet quadrupoles. Shifting the relative position of the quadrupoles, we demonstrate tuning the magnification by more than a factor of two, a 6× improvement in camera length, and reciprocal space resolution better than 0.1 Å –1 in agreement with beam transport simulations.

47 OTHER INSTRUMENTATION↗

Implementation of Talbot–Lau x-ray deflectometry in the pulsed power environment using a copper X-pinch backlighter

A Talbot–Lau x-ray deflectometer can map electron density gradients in high energy density plasmas, as well as provide information about plasma elemental composition through single-image x-ray refraction and attenuation measurements. A new adaptation to a pulsed power environment used backlighting from copper X-pinches, allowing for electron density mapping of a low-Z object. Even though the X-pinch backlighter is not properly optimized for emitting x-rays in terms of source size and photon fluence, Moire fringe patterns with contrast up to 14% and fringe shift due to refraction on a beryllium object are obtained. Due to the proximity of the deflectometer with the X-pinch (~6 cm), it is shown that a protective filter is required to avoid damage in the closest (i.e., source) grating due to both plasma debris and mechanical shock. Regarding grating survival, these did not show any damage due to the intense magnetic field or heating induced by plasma radiation. Electron density on beryllium was measured with a difference lower than 16%. The areal electron density mapping of the sample was limited by source size characteristics, in similarity to transmission radiography. These results show the potential of plasma electron density as well as material mapping through Talbot–Lau x-ray deflectometry in a pulsed power environment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Substrate oxygen sponge effect: A parameter for epitaxial manganite thin film growth

The emergent phenomena in complex oxide thin films are strongly tied to the oxygen content, which is often engineered by the oxygen partial pressure during growth. However, such oxygen control by the growth pressure is challenging to synthesize for some oxide films, which requires a subtle control of the oxygen content. A parameter of controlling the oxygen content independent of the growth pressure is desired. Here, we propose a method of controlling the oxygen content of films by engineering the substrate before the growth. The oxide substrate serves as an oxygen sponge, which provides a tunable oxygen environment ranging from oxygen-rich to oxygen-poor for the film growth, depending on the pre-substrate annealing (PSA) conditions. Using manganite as a model system, we demonstrate that this simple PSA method leads to remarkable changes in the structure and physical properties of the as-grown films. Finally, this substrate oxygen sponge effect, driven by the large oxygen concentration gradient at high temperatures, can be applied to explore not only emergent interfacial phenomena but also the growth of a variety of functional oxide thin films and nanocomposites.

36 MATERIALS SCIENCE↗