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At least 199 records · Page 11

Multiscale Concurrent Atomistic-Continuum (CAC) modeling of multicomponent alloys

We report strengthening in complex multicomponent systems such as solid solution alloys is controlled primarily by the dynamic interactions between dislocation lines and heterogeneously distributed solute species. Modeling of extended defect length scales in such multicomponent systems becomes prohibitively expensive, motivating the development of reduced order approaches. This work explores the application of the Concurrent Atomistic-Continuum (CAC) method to model dislocation mobility in random alloys at extended length scales. By employing recently developed average-atom interatomic potentials, the average “bulk” material response in coarse-grained regions interacts with true random solute species in the atomistic-scale domain. We demonstrate that spurious stresses in domain resolution transition regions are eliminated entirely due to the CAC formulation. Simultaneously, the key details of local stress fluctuation due to randomness in the dislocation core region are captured, and fluctuating stress smoothly decays to the long-range dislocation stress field response. Dislocation mobility calculations, for line lengths over 400 nm, are computed as a function of alloy composition in the model FeNiCr system and compared to full molecular dynamics (MD). The results capture the composition-dependent trends, while reducing degrees of freedom by nearly 40%. This approach can be readily extended to any system described by an EAM potential and facilitates the study of large-scale defect dynamics in complex solute environments to support computational alloy design.

36 MATERIALS SCIENCE↗

Synchronous and Concurrent Multidomain Computing Method for Cloud Computing Platforms

We present a numerical method for synchronous and concurrent solution of transient elastodynamics problem where the computational domain is divided into subdomains that may reside on separate computational platforms. Here, this work employs the variational multiscale discontinuous Galerkin (VMDG) method to develop interdomain transmission conditions for transient problems. The fine-scale modeling concept leads to variationally consistent coupling terms at the common interfaces. The method admits a large class of time discretization schemes, and decoupling of the solution for each subdomain is achieved by selecting any explicit algorithm. Numerical tests with a manufactured solution problem show optimal convergence rates. The energy history in a free vibration problem is in agreement with that of the solution from a monolithic computational domain.

97 MATHEMATICS AND COMPUTING↗

Dynamic Line Rating Study of Concurrent Cooling for a Proposed Wind Farm

This report was prepared for the Wind Energy Technology Office for the FY 2021, quarter 2 deliverable. This details the use of dynamic line rating technology to rate a gen tie-line associated with a proposed wind farm. By utilizing dynamic line rating, the concurrent cooling effect – maximum wind farm power output is coupled with additional cooling on the line – can be used to provide a smaller size conductor for the gen tie line, thus reducing the capital costs.

17 WIND ENERGY↗

An Element-Based Concurrent Partitioner for Unstructured Finite Element Meshes

A concurrent partitioner for partitioning unstructured finite element meshes on distributed memory architectures is developed. The partitioner uses an element-based partitioning strategy. Its main advantage over the more conventional node-based partitioning strategy is its modular programming approach to the development of parallel applications. The partitioner first partitions element centroids using a recursive inertial bisection algorithm. Elements and nodes then migrate according to the partitioned centroids, using a data request communication template for unpredictable incoming messages. Our scalable implementation is contrasted to a non-scalable implementation which is a straightforward parallelization of a sequential partitioner.

concurrent partitioner finite element meshes distr↗

Next-generation concurrent engineering: developing models to complement point designs

Concurrent Engineering Design teams have made routine the rapid development of point designs for space missions. The Jet Propulsion Laboratory's Team X is now evolving into a next generation CED; nin addition to a point design, the team develops a model of the local trade space. The process is a balance between the power of model-developing tools and the creativity of human experts, enabling the development of a variety of trade models for any space mission.

trade space exploration↗

Next-generation concurrent engineering: developing models to complement point designs

Concurrent Engineering Design (CED) teams have made routine the rapid development of point designs for space missions. The Jet Propulsion Laboratory's Team X is now evolving into a 'next-generation CED; in addition to a point design, the Team develops a model of the local trade space. The process is a balance between the power of a model developing tools and the creativity of humal experts, enabling the development of a variety of trade models for any space mission. This paper reviews the modeling method and its practical implementation in the ED environment. Example results illustrate the benefit of this approach.

concurrent engineering↗

Visualization of Concurrent Program Executions

Various program analysis techniques are efficient at discovering failures and properties. However, it is often difficult to evaluate results, such as program traces. This calls for abstraction and visualization tools. We propose an approach based on UML sequence diagrams, addressing shortcomings of such diagrams for concurrency. The resulting visualization is expressive and provides all the necessary information at a glance.

concurrent programs↗

Microgravity Flammability of PMMA Rods in Concurrent Flow

Microgravity experiments burning cast PMMA cylindrical rods in axial flow have been conducted aboard the International Space Station in the Microgravity Science Glovebox (MSG) facility using the Burning and Suppression of Solids (BASS) flow duct, as part of the BASS-II experiment. Twenty-four concurrent-flow tests were performed, focusing on finding flammability limits as a function of oxygen and flow speed. The oxygen was varied by using gaseous nitrogen to vitiate the working volume of the MSG. The speed of the flow parallel to the rod was varied using a fan at the entrance to the duct. Both blowoff and quenching limits were obtained at several oxygen concentrations. Each experiment ignited the rod at the initially hemispherical stagnation tip of the rod, and allowed the flame to develop and heat the rod at a sufficient flow to sustain burning. For blowoff limit tests, the astronaut quickly turned up the flow to obtain extinction. Complementary 5.18-second Zero Gravity Facility drop tests were conducted to compare blowoff limits in short and long duration microgravity. For quenching tests, the flow was incrementally turned down and the flame allowed to stabilize at the new flow condition for at least the solid-phase response time before changing it again. Quenching was observed when the flow became sufficiently weak that the flame could no longer provide adequate heat flux to compensate for the heat losses (conduction into the rod and radiation). A surface energy balance is presented that shows the surface radiative loss exceeds the conductive loss into the rod near the limit. The flammability boundary is shown to represent a critical Damkohler number, expressed in terms of the reaction rate divided by the stretch rate. For the blowoff branch, the boundary exhibits a linear dependence on oxygen concentration and stretch rate, indicating that the temperature at blowoff must be fairly constant. For the quenching branch, the dominance of the exponential nature of the Arrhenius kinetics reaction rate indicates that the temperature is critical.

flammability↗

Lessons Learned in Concurrent Mission and Systems Design at NASA Glenn Research Center: Almost Fifteen Years of the Compass Team

This paper is a retrospective of the lessons learned during the almost 15-year history of the Compass concurrent mission and systems design team at NASA’s Glenn Research Center (GRC). It examines the key factors in the team’s evolution from a temporary group gathered to perform a single study to the successful, sustainable team it is today. Compass is a matrixed team of experts with various technical backgrounds and personalities. They collaborate over a two-week period either physically in a dedicated meeting space, or virtually to design a space system (Spacecraft, stage, science package, etc). Over the years, because of the rapid nature of the design studies, the team leadership has iterated on the optimal team member personality makeup, facility elements and tools as well as NASA GRC management support necessary to lead to sustained success.

systems engineering↗

Compass Concurrent Engineering Lessons Learned in Remote and Hybrid Environments

The Compass Team at NASA’s Glenn Research Center (GRC) is a concurrent engineering team which specializes in conceptual spacecraft mission designs. Detailed descriptions of the team, its history, and its operating model can be found in [1] and [2]. During the COVID-19 pandemic, the team was required to move to remote (virtual) operation from their in-person model for approximately 22 months. As the restrictions began to lift and team members were able to return in-person to the Compass Lab, the team moved into a hybrid mode of operation, with some participants still tying in remotely some or all of the time. This paper discusses many of the lessons learned from these experiences, highlighting improvements, outstanding challenges and the tools and methodologies used to address both. Throughout this discussion the terms “in-person”, “hybrid”, “virtual” and “remote” will be used. For the purposes of this paper, “in-person” will be understood to mean when team members are interacting simultaneously, physically within the Compass Lab. “Remote” or “virtual” will refer to when interactions are happening between people who are not co-located using only technology to interface. “Hybrid” will refer to when two or more participants are physically located in the Compass Lab and one or more participant(s) is participating remotely. Media richness is described as “a medium’s ability to communicate effectively based of four factors. They are the capacity for immediate feedback, the number of cues and channels it utilizes, the degree of personalization it affords, and its ability to communicate using natural language” [3]. This theory will be referenced and discussed in multiple of the following sections due to its relevance when choosing how to operate in remote and hybrid modes, as well as in making tool selections. The key to selecting the best mode of communication lays in how complicated the discussion is and the level of ambiguity involved. Not all conversations or interactions require media rich mediums. For example, providing information about which there is little to no ambiguity can easily be done in less rich methods - such as email. A conversation including high levels of ambiguity and/or complex information is better suited to a richer medium, such as in-person or a video call with shared screens.

Concurrent Engineering↗

Concurrently Approaching Volumetric and Specific Capacity Limits of Lithium Battery Cathodes via Conformal Pickering Emulsion Graphene Coatings

Abstract To achieve the high energy densities demanded by emerging technologies, lithium battery electrodes need to approach the volumetric and specific capacity limits of their electrochemically active constituents, which requires minimization of the inactive components of the electrode. However, a reduction in the percentage of inactive conductive additives limits charge transport within the battery electrode, which results in compromised electrochemical performance. Here, an electrode design that achieves efficient electron and lithium‐ion transport kinetics at exceptionally low conductive additive levels and industrially relevant active material areal loadings is introduced. Using a scalable Pickering emulsion approach, Ni‐rich LiNi 0.8 Co 0.15 Al 0.05 O 2 (NCA) cathode powders are conformally coated using only 0.5 wt% of solution‐processed graphene, resulting in an electrical conductivity that is comparable to 5 wt% carbon black. Moreover, the conformal graphene coating mitigates degradation at the cathode surface, thus providing improved electrochemical cycle life. The morphology of the electrodes also facilitates rapid lithium‐ion transport kinetics, which provides superlative rate capability. Overall, this electrode design concurrently approaches theoretical volumetric and specific capacity limits without tradeoffs in cycle life, rate capability, or active material areal loading.

Park, Kyu‐Young↗

Concurrent Inter-Model Spread of Boreal Winter Westerly Jet Meridional Positions Between the Northern and Southern Hemispheres in CMIP6 Models

Here, this study investigates the inter-model spread of climatological extratropical westerly jets in boreal winter, using the historical simulation of 52 Coupled Model Intercomparison Project phase 6 (CMIP6) models from 1851 to 2014. The results show that there is a substantial spread in the latitude of the upper-tropospheric westerly jet across models, characterised by large inter-model standard deviations to both the poleward and equatorward sides of the jet axis, although the multi-model ensemble mean (MME) performs well in simulating meridional position of westerly jets. Furthermore, we detect the consistency of inter-model jet position spread between the Northern and Southern Hemispheres, based on the inter-model empirical orthogonal function (EOF) decomposition and correlation of regional-averaged zonal winds. Specifically, the models that simulate the westerly jets poleward/equatorward relative to the MME position in one hemisphere also tend to simulate the jets poleward/equatorward in the other hemisphere. Accordingly, we define a global jet spread index to depict the concurrence of jet shift in the two hemispheres. The results of inter-model regression analyses based on this index indicate that the models positioning the jets poleward than the MME tend to simulate a wider Hadley Cell, a poleward-shifted Ferrel Cell in the Southern Hemisphere, enhanced precipitation in the subtropics and suppressed precipitation in the tropics, and warmer sea surface temperatures in the subtropics and mid-latitudes. The present results suggest that improving the simulation of jet positions in climate models requires a comprehensive consideration of thermal states in the tropics and subtropics/mid latitudes.

54 ENVIRONMENTAL SCIENCES↗

Panda: A Compiler Framework for Concurrent CPU $+$ GPU Execution of 3D Stencil Computations on GPU-accelerated Supercomputers

We present a new compiler framework for truly heterogeneous 3D stencil computation on GPU clusters. Our framework consists of a simple directive-based programming model and a tightly integrated source-to-source compiler. Annotated with a small number of directives, sequential stencil C codes can be automatically parallelized for large-scale GPU clusters. The most distinctive feature of the compiler is its capability to generate hybrid MPI$+$ CUDA$+$ OpenMP code that uses concurrent CPU$+$ GPU computing to unleash the full potential of powerful GPU clusters. The auto-generated hybrid codes hide the overhead of various data motion by overlapping them with computation. Test results on the Titan supercomputer and the Wilkes cluster show that auto-translated codes can achieve about 90 % of the performance of highly optimized handwritten codes, for both a simple stencil benchmark and a real-world application in cardiac modeling. The user-friendliness and performance of our domain-specific compiler framework allow harnessing the full power of GPU-accelerated supercomputing without painstaking coding effort.

97 MATHEMATICS AND COMPUTING↗

Concurrent Precipitation of Nb(C,N) and Metastable M 23 C 6 in Alloy 347H at 700°C and 750°C: Computer Simulations and Comparison to Experiment

Here, we present our results for the concurrent precipitation of metastable M 23 C 6 , Nb(C,N) secondary precipitates, and the Nb(C,N) primary crystals in 347H austenitic stainless steel. For precipitation modeling, we have accounted for the elastic contribution to interfacial energy, and for the Fe-spin-polarization for NbC/Fe and M 23 C 6 /Fe interfacial energy values: for NbC/Fe ~ 0.63 J/m 2 . For M 23 C 6 precipitates, an error function was used to describe the interfacial energy growth with particle size. In precipitation simulations, the average size of the primary Nb(C,N) particles remained ~ 1 μm at 700°C and ~ 0.3 μm at 750°C. The M 23 C 6 precipitates at 750°C dissolved after 120 h (our simulations) compared to 300 h (experiments). The Nb(C,N)/Fe interfacial energy was not affected by the nitrogen additions. With these modifications, reasonable agreement with the available experimental data was obtained, which allows using them in the development of the 2nd-phase particle-informed creep theory.

36 MATERIALS SCIENCE↗

Concurrent targeting Akt and sphingosine kinase 1 by A-674563 in acute myeloid leukemia cells

Akt signaling plays a pivotal role in acute myeloid leukemia (AML) development and progression. In the present study, we evaluated the potential anti-AML activity by a novel Akt kinase inhibitor A-674563. Our results showed that A-674563 dose-dependently inhibited survival and proliferation of U937 AML cells and six lines of human AML progenitor cells, yet sparing human peripheral blood mononuclear leukocytes (PBMCs). A-674563 activated caspase-3/9 and apoptosis in the AML cells. Reversely, the pan-caspase inhibitor z-VAD-CHO dramatically alleviated A-674563-induced AML cell apoptosis and cytotoxicity. For the molecular study, we showed that A-674563 blocked Akt activation in U937 cells and human AML progenitor cells. Further, A-674563 decreased sphingosine kinase 1 (SphK1) activity in above AML cells to deplete pro-survival sphingosine-1-phosphate (S1P) and boost pro-apoptotic ceramide production. Such an effect on SphK1 signaling by A-674563 appeared independent of Akt blockage. Significantly, K6PC-5, a novel SphK1 activator, or supplement with S1P attenuated A-674563-induced ceramide production, and subsequent U937 cell death and apoptosis. Importantly, intraperitoneal injection of A-674563 at well-tolerated doses suppressed U937 leukemic xenograft tumor growth in nude mice, whiling significantly improving the animal survival. The results of the current study demonstrate that A-674563 exerts potent anti-leukemic activity in vitro and in vivo, possibly via concurrent targeting Akt and SphK1 signalings. - Highlights: • A-674563 is cytotoxic and anti-proliferative in U937 and AML progenitor cells. • A-674563 activates caspase-3/9 and apoptosis in U937 and AML progenitor cells. • Whiling blocking Akt, A-674563 manipulates other signalings in AML cells. • A-674563 inhibits SphK1 activity in AML cells, independent of Akt blockage. • A-674563 injection inhibits U937 xenograft in vivo growth, and improves mice survival.

60 APPLIED LIFE SCIENCES↗

Highly efficient, rapid, and concurrent removal of toxic heavy metals by the novel 2D hybrid LDH–[Sn 2 S 6 ]

According to a United Nations report, by 2050 nearly six billion people worldwide will suffer from clean water scarcity. This is mostly because of the exponential proliferation of world population, urbanization, industrialization, and water pollution. Heavy metals are common water pollutants that can pose grave public health consequences. Existing water purification systems are lack of materials that have the potential for quick, simultaneous, efficient, and cost-efficient removal of numerous toxic metals from wastewater. Here, in this work, we report the design and synthesis of an economically viable Layered Double Hydroxides - Stannic Sulfide, LDH–[Sn 2 S 6 ] that exhibits a rapid, efficient, selective, and concurrent removal of Cu 2+ , Ag + , Cd 2+ , Pb 2+ , and Hg 2+ from parts per million (ppm) level to below 5 parts per billion (ppb) satisfying World Health Organization’s (WHO) safe drinking water limit. Moreover, LDH–[Sn 2 S 6 ] shows exceptionally high removal efficiencies of the above metals in acidic, neutral, and basic conditions. LDH–[Sn 2 S 6 ] also demonstrates enormous sorption capacities of 378, 978, 332, 579, and 666 mg/g for Cu 2+ , Ag + , Cd 2+ , Pb 2+ , and Hg 2+ , respectively. Remarkably, LDH–[Sn 2 S 6 ] displays extraordinary tolerance to the concentrations of Na + , Ca 2+ , Mg 2+ , Cl - , CO 3 2– , NO 3 – ,and SO 4 2- , and other constituents in tap and river water, it efficiently sequestrates Cu 2+ , Ag + , Cd 2+ , Pb 2+ , and Hg 2+ from ppm to safe drinking water levels in minutes. LDH–[Sn 2 S 6 ] shows pseudo-second-order sorption kinetics suggesting chemisorption adsorption mechanism involving M–S bonding. Altogether, the regeneratable LDH–[Sn 2 S 6 ] becomes an exceptional material that shows ultrahigh removal, unprecedented selectivity, rapid adsorption kinetics, wide pH stability, and a massive adsorption capacity. The integration of these features places LDH–[Sn 2 S 6 ] at the top of all adsorbents known to date and thus could be used for wastewater purifications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗