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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12

Scalable Implicit Solvers with Dynamic Mesh Adaptation for a Relativistic Drift-Kinetic Fokker–Planck–Boltzmann Model

In this work we consider a relativistic drift-kinetic model for runaway electrons along with a Fokker–Planck operator for small-angle Coulomb collisions, a radiation damping operator, and a secondary knock-on (Boltzmann) collision source. Here, we develop a new scalable fully implicit solver utilizing finite volume and conservative finite difference schemes and dynamic mesh adaptivity. A new data management framework in the PETSc library based on the p4est library is developed to enable simulations with dynamic adaptive mesh refinement (AMR), distributed memory parallelization, and dynamic load balancing of computational work. This framework and the runaway electron solver building on the framework are able to dynamically capture both bulk Maxwellian at the low-energy region and a runaway tail at the high-energy region. To effectively capture features via the AMR algorithm, a new AMR indicator prediction strategy is proposed that is performed alongside the implicit time evolution of the solution. This strategy is complemented by the introduction of computationally cheap feature-based AMR indicators that are analyzed theoretically. Numerical results quantify the advantages of the prediction strategy in better capturing features compared with nonpredictive strategies; and we demonstrate trade-offs regarding computational costs. The robustness with respect to model parameters, algorithmic scalability, and parallel scalability are demonstrated through several benchmark problems including manufactured solutions and solutions of different physics models. We focus on demonstrating the advantages of using implicit time stepping and AMR for runaway electron simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Short-Term Transcriptomic Points of Departure Are Consistent with Chronic Points of Departure for Three Organophosphate Pesticides across Mouse and Fathead Minnow

New approach methods (NAMs) can reduce the need for chronic animal studies. Here, we apply benchmark dose (concentration) (BMD(C))–response modeling to transcriptomic changes in the liver of mice and in fathead minnow larvae after short-term exposures (7 days and 1 day, respectively) to several dose/concentrations of three organophosphate pesticides (OPPs): fenthion, methidathion, and parathion. The mouse liver transcriptional points of departure (TPODs) for fenthion, methidathion, and parathion were 0.009, 0.093, and 0.046 mg/Kg-bw/day, while the fathead minnow larva TPODs were 0.007, 0.115, and 0.046 mg/L, respectively. The TPODs were consistent across both species and reflected the relative potencies from traditional chronic toxicity studies with fenthion identified as the most potent. Moreover, the mouse liver TPODs were more sensitive than or within a 10-fold difference from the chronic apical points of departure (APODs) for mammals, while the fathead minnow larva TPODs were within an 18-fold difference from the chronic APODs for fish species. Short-term exposure to OPPs significantly impacted acetylcholinesterase mRNA abundance (FDR p-value <0.05, |fold change| ≥2) and canonical pathways (IPA, p-value <0.05) associated with organism death and neurological/immune dysfunctions, indicating the conservation of key events related to OPP toxicity. Together, these results build confidence in using short-term, molecular-based assays for the characterization of chemical toxicity and risk, thereby reducing reliance on chronic animal studies.

59 BASIC BIOLOGICAL SCIENCES↗

Comparing simulated demand flexibility against actual performance in commercial office buildings

Commercial building energy benchmarking has been used as a mechanism to evaluate energy use of a single building over time, relative to other similar buildings, or to simulations of a reference building conforming to various energy standards. Lack of empirical demand flexibility data and consistent flexibility metrics has limited the ability to compare demand flexibility performance with estimated demand flexibility in buildings. In this study, we collected demand response performance data for a total of 831 demand response events from 192 sites as a first step to build such a building demand flexibility dataset, and propose a standard core data schema to consolidate field data from different sources. We also performed parametric simulations of a control strategy called “global temperature adjustment” using commercial office prototype building models. We then compared the simulated demand flexibility performance against the actual data for offices with global temperature adjustment strategy implemented. During demand response events with an average outside air temperature of 34 °C (range 23 °C–42 °C), the measured demand decrease intensity of the demand flexibility metrics were 6.1 watts per square meter (W/m 2 ), 10.0 W/m 2 , 11.1 W/m 2 , 7.1 W/m 2 , and 4.7 W/m 2 for small, small–medium, medium, medium–large, and large office buildings, respectively. Compared to the measured data in medium- and large-size buildings, the simulated demand decrease intensity was 0.7 W/m 2 (17%) lower on average. The discrepancy between simulated and measured peak demand intensities fell within one standard deviation of the mean measured data. Here, the comparison results validate the credibility of simulations in capturing real building data for assessing the technical potential of building demand flexibility.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Physics-based reward driven image analysis in microscopy

The rise of electron microscopy has expanded our ability to acquire nanometer and atomically resolved images of complex materials. The resulting vast datasets are typically analyzed by human operators, an intrinsically challenging process due to the multiple possible analysis steps and the corresponding need to build and optimize complex analysis workflows. We present a methodology based on the concept of a Reward Function coupled with Bayesian Optimization, to optimize image analysis workflows dynamically. The Reward Function is engineered to closely align with the experimental objectives and broader context and is quantifiable upon completion of the analysis. Here, cross-section, high-angle annular dark field (HAADF) images of ion-irradiated (Y, Dy)Ba 2 Cu 3 O 7–δ thin-films were used as a model system. The reward functions were formed based on the expected materials density and atomic spacings and used to drive multi-objective optimization of the classical Laplacian-of-Gaussian (LoG) method. These results can be benchmarked against the DCNN segmentation. This optimized LoG* compares favorably against DCNN in the presence of the additional noise. We further extend the reward function approach towards the identification of partially-disordered regions, creating a physics-driven reward function and action space of high-dimensional clustering. We pose that with correct definition, the reward function approach allows real-time optimization of complex analysis workflows at much higher speeds and lower computational costs than classical DCNN-based inference, ensuring the attainment of results that are both precise and aligned with the human-defined objectives.

47 OTHER INSTRUMENTATION↗

Theory, phenomenology, and experimental avenues for dark showers: a Snowmass 2021 report

In this work, we consider the case of a strongly coupled dark/hidden sector, which extends the Standard Model (SM) by adding an additional non-Abelian gauge group. These extensions generally contain matter fields, much like the SM quarks, and gauge fields similar to the SM gluons. We focus on the exploration of such sectors where the dark particles are produced at the LHC through a portal and undergo rapid hadronization within the dark sector before decaying back, at least in part and potentially with sizeable lifetimes, to SM particles, giving a range of possibly spectacular signatures such as emerging or semi-visible jets. Other, non-QCD-like scenarios leading to soft unclustered energy patterns or glueballs are also discussed. After a review of the theory, existing benchmarks and constraints, this work addresses how to build consistent benchmarks from the underlying physical parameters and present new developments for the PYTHIA Hidden Valley module, along with jet substructure studies. Finally, a series of improved search strategies is presented in order to pave the way for a better exploration of the dark showers at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Uncertainty quantification and sensitivity analysis for SPERT III E-core reactivity measurement benchmarking

The Special Power Excursion Reactor Test (SPERT) III E-core experiment is important because it provides critical data on reactor behavior under significant reactivity insertions, which is essential for validating computer simulations and ensuring the safety of modern light water reactors. Its design similarities to contemporary reactors make it a valuable resource for understanding and mitigating extreme hazards in nuclear operations. The current study details the application of formal parametric uncertainty quantification and sensitivity analysis to a model of the SPERT-III E-core model for zero power reactivity benchmarking. Additionally, the reactivity impact from various modeling assumptions is quantified. Overall, an conservative estimate for an uncertainty in k$_{\text{eff}}$ of $\pm$1257 was observed. A less conservative, more realistic, uncertainty estimate of $\pm$1096 pcm can be justified by the potential for various parametric uncertainties to become negligible when sampled independently across the ~1400 pins in the core. The experimental results fall within both of these uncertainty bounds. Standardized regression coefficient as well as Sobol indices are used to identify the guide tube thicknesses as the primary contributors to the uncertainty in k$_{\text{eff}}$. Overall, this study provides information on how the uncertainties in input parameters and modeling methods impact simulated k$_{\text{eff}}$ values and can be used to aid model building efforts for future code validation with the SPERT-III E-core experiment.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Physics basis for the Wisconsin HTS Axisymmetric Mirror (WHAM)

The Wisconsin high-temperature superconductor axisymmetric mirror experiment (WHAM) will be a high-field platform for prototyping technologies, validating interchange stabilization techniques and benchmarking numerical code performance, enabling the next step up to reactor parameters. A detailed overview of the experimental apparatus and its various subsystems is presented. WHAM will use electron cyclotron heating to ionize and build a dense target plasma for neutral beam injection of fast ions, stabilized by edge-biased sheared flow. At 25 keV injection energies, charge exchange dominates over impact ionization and limits the effectiveness of neutral beam injection fuelling. This paper outlines an iterative technique for self-consistently predicting the neutral beam driven anisotropic ion distribution and its role in the finite beta equilibrium. Beginning with recent work by Egedal et al. ( Nucl. Fusion , vol. 62, no. 12, 2022, p. 126053) on the WHAM geometry, we detail how the FIDASIM code is used to model the charge exchange sources and sinks in the distribution function, and both are combined with an anisotropic magnetohydrodynamic equilibrium solver method to self-consistently reach an equilibrium. We compare this with recent results using the CQL3D code adapted for the mirror geometry, which includes the high-harmonic fast wave heating of fast ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Combined Computational, Experimental, and Technology Development Approach to In-Space Laser Manufacturing Maturation at NASA Marshall Space Flight Center

In-space manufacturing (ISM) is emerging as a field vital to continued access and capabilities in the space environment. NASA Marshall Space Flight Center (MSFC) is advancing the frontier of in-space laser manufacturing (ISLM) techniques through work initially focused on maturing laser beam welding (LBW) and laser forming (LF) for use in space. Such techniques proffer the ability to assemble and join structures in space from sheet metal or other stock – extant satellites, in situ resource utilization of Lunar regolith, etc. – by forming to desired shapes and then joining via in-space welding (ISW). ISLM processes are useful for assembly, joining, modification, and repair of structures in free space and on the Lunar surface such as large observatories, antennas, trusses, blast/thermal/radiation shields, pressure vessels, and more. However, these techniques are not yet qualified & certified (Q&C) for regular application in space. It would be prohibitively expensive, laborious, and time-consuming to perform Q&C via traditional experimental approaches as data collection & experimentation in space is resource-intensive. As such, benchmark experiments and focused, properly instrumented technology demonstration efforts in space can collect sufficient data that – when combined with verified computational models in an integrated computational materials engineering (ICME) approach – can validate ICME tools capable of translating more readily obtained ground data to in-space, in situ, computationally informed Q&C of ISLM techniques. Several ISLM projects at MSFC are obtaining the data required to validate ICME tools through both ground and flight experiments. A parabolic flight experiment of LBW under vacuum is manifested for August 2024, including both microgravity and Lunar gravity profiles. This collaboration with the Ohio State University is investigating common aerospace alloys such as 316L stainless steel, 2219 aluminum alloy, and Ti64 titanium alloy. In situ data collection includes videography, thermography, and reference thermocouples to build a thermal model of the welds. This will elucidate the relevant physics when combined with post-flight microstructural examination and mechanical testing. MSFC is also progressing towards a suborbital flight experiment of LBW under vacuum, which could provide reams of data on ISW during sustained, high-quality reduced gravity. The effect of combined thermal (cryogenic and high-temperature) and vacuum exposure on both LBW (NASA-funded) and LF (DARPA-funded) is being investigated through ground experiments. In addition to the copious data collected during these ground experiments, ruggedization of LBW hardware will also be pursued. The datasets from these experiments will be used to validate computational models which will inform future ISLM efforts in an ICME framework. A variety of techniques across lengths scales, from CALPHAD-driven thermodynamics & kinetics to phase field modeling of solidification to kinetic Monte Carlo simulations of grain evolution at the mesoscale, will be employed to accelerate the infusion and eventual Q&C of LBW and LF for use in space. The development of data-driven surrogate models to bridge ground to flight experiments and thereby reduce the need for resource-intensive experiments in space will also be investigated. These ICME techniques, surrogate models, and datasets from ground testing can also be employed to advance manufacturing in terrestrial environments.

in-space welding↗

Initiating a Roadmap for Solar Fuels R&D: Imagining Beyond Thermochemical Cycles

Sandia National Laboratories in collaboration with the National Renewable Energy Laboratory outline a framework for developing a solar fuels roadmap based on novel concepts for hybridizing gas-splitting thermochemical cycle s with high-temperature electro chemical steps. We call this concept SoHyTEC, a Solar Hybrid Thermochemical-Electrochemical Cycle. The strategy focuses on transforming purely thermochemical cycles that split water (H 2 O) and carbon dioxide (CO 2 ) to produce hydrogen (H 2 ) and carbon monoxide (CO) , respectively, the fundamental chemical building blocks for diverse fuels and chemicals , by substituting thermochemical reactions with high-temperature electrochemical steps. By invoking high-temperature electrochemistry, the energy required to complete the gas-splitting cycle is divided into a thermal component (process temperature) and an electrical component (applied voltage). These components, sourced from solar energy, are independently variable knobs to maximize overall process efficiency. Furthermore, a small applied voltage can reduce cycle process temperature by hundreds of degrees , opening the door to cost-effective solar concentrators and practical receiver/reactor de signs. Using the SoHyTEC concept as a backdrop, we outline a framework that advocates developing methods for automating information gathering, critically evaluating thermochemical cycles for adapting into SoHyTEC, establishing requirements based on thermodynamic analysis, and developing a model-based approach to benchmarking a SoHyTEC system against a baseline concentrating solar thermal integrated electrolysis plant. We feel these framework elements are a necessary precursor to creating a robust and adaptive technology development roadmap for producing solar fuels using SoHyTEC. In one example, we introduce high-temperature electrochemistry as a method to manipulate a fully stoichiometric two-step metal oxide cycle that circumvents costly separation processes and ultra-high cycle temperatures. We also identify and group water-splitting chemistries that are conceptually amenable to hybridization.

14 SOLAR ENERGY↗

Automated Control for Nuclear Thermal Propulsion Start-Up using MOOSE-based Applications

This report presents a Griffin/Bison/RELAP-7 numerical model of a prototypical NTP system that features fuel assemblies arranged in rings, and which was designed to simulate rapid startup transients. The physics modeled include full-core neutronics, assembly-wise heat conduction, and conjugate heat transfer, with the balance of plant mainly imposed through boundary conditions. In addition, various forms of automated reactivity control were deployed by using the MOOSE to autonomously drive the model and simulate the reactor transitioning from assumed initial conditions to nominal power in a fraction of a minute. To generate the cross-sections of the neutronics model, and in an effort to simultaneously account for the tremendous axial temperature gradients in the reactor and to limit the number of state points required for cross-section generation, the average component temperatures and hydrogen densities in the cooling channels were correlated to the average fuel and moderator temperatures, and fixed axial profiles were derived for nominal conditions and then used during the transient. With this approximation, a tractable cross-section library tabulated with fuel/moderator temperatures and CD angles was generated using Serpent. The full-core SPH correction procedure and the CD decusping technology in Griffin, respectively, ensure preservation of the multiplication factor and reaction rates at state points, along with a reasonably accurate reactivity worth between tabulated CD angles, despite using a coarse mesh. Feedback from other physics was calculated by modeling one representative fuel assembly per ring, along with the corresponding fuel and moderator cooling channels. To limit power overshoots during startup, another layer of multiphysics coupling was added to the model in order to automatically control the drums. Two different technologies presented herein showed outstanding performance in this regard: (1) a novel hybrid PID controller based on both power and reactivity signals, and (2) a PGC that relies on kinetics parameters and reactivity coefficients to predict future behavior and adjust the desired signal accordingly. A challenging benchmark was devised, featuring a power demand curve that exponentially increases by a factor of 500 within 30 seconds, then levels out after that. Both control approaches create a simulated power curve that closely follows the power demand curve and limits power overshoots to 1% or less. While the former approach requires more tuning of the internal parameters, the latter requires additional knowledge of the reactivity feedback coefficients and rates of change of the corresponding variables, including fuel and moderator temperature, which could be difficult to dynamically measure for a real NTP system. Fortunately, some inaccuracy in these quantities will not drastically degrade the PGC performance. Subsequently, a more realistic startup sequence was considered, in which the mass flow rate and outlet pressures are ramped up to model bootstrap and thrust build-up phases prior to reaching steady-state conditions, demonstrating the ability of the hybrid PID and PGCs to handle such transients, with both types of controllers exhibiting very similar behavior. Nevertheless, a significant chamber temperature overshoot was observed, caused by the demanded power signal and assumed mass flow rate. This issue could be mitigated by deploying a reactor controller that follows the chamber temperature signal and actuates both the control valves and drums (rather than using a power signal based solely on the drums to control reactivity). Enhancement of the hydrogen fluid properties available in MOOSE, as well as a better understanding of prototypical initial conditions, are also needed to further enhance this startup model. Finally, a study was performed to model decay heat post-shutdown, and to prepare for extending this model to predict shutdown behavior and post-shutdown pulsed cooling requirements.

33 ADVANCED PROPULSION SYSTEMS↗

Editorial: Neuroscience, computing, performance, and benchmarks: Why it matters to neuroscience how fast we can compute

At the turn of the millennium the computational neuroscience community realized that neuroscience was in a software crisis: software development was no longer progressing as expected and reproducibility declined. The International Neuroinformatics Coordinating Facility (INCF) was inaugurated in 2007 as an initiative to improve this situation. The INCF has since pursued its mission to help the development of standards and best practices. In a community paper published this very same year, Brette et al. tried to assess the state of the field and to establish a scientific approach to simulation technology, addressing foundational topics, such as which simulation schemes are best suited for the types of models we see in neuroscience. In 2015, a Frontiers Research Topic “Python in neuroscience” by Muller et al. triggered and documented a revolution in the neuroscience community, namely in the usage of the scripting language Python as a common language for interfacing with simulation codes and connecting between applications. The review by Einevoll et al. documented that simulation tools have since further matured and become reliable research instruments used by many scientific groups for their respective questions. Open source and community standard simulators today allow research groups to focus on their scientific questions and leave the details of the computational work to the community of simulator developers. A parallel development has occurred, which has been barely visible in neuroscientific circles beyond the community of simulator developers: Supercomputers used for large and complex scientific calculations have increased their performance from ~10 TeraFLOPS (10 13 floating point operations per second) in the early 2000s to above 1 ExaFLOPS (10 18 floating point operations per second) in the year 2022. This represents a 100,000-fold increase in our computational capabilities, or almost 17 doublings of computational capability in 22 years. Moore's law (the observation that it is economically viable to double the number of transistors in an integrated circuit every other 18–24 months) explains a part of this; our ability and willingness to build and operate physically larger computers, explains another part. It should be clear, however, that such a technological advancement requires software adaptations and under the hood, simulators had to reinvent themselves and change substantially to embrace this technological opportunity. It actually is quite remarkable that—apart from the change in semantics for the parallelization—this has mostly happened without the users knowing. The current Research Topic was motivated by the wish to assemble an update on the state of neuroscientific software (mostly simulators) in 2022, to assess whether we can see more clearly which scientific questions can (or cannot) be asked due to our increased capability of simulation, and also to anticipate whether and for how long we can expect this increase of computational capabilities to continue.

biophysically detailed models↗

HED Hydrodynamics in the Common Modeling Framework

Within the Common Modeling Framework (CMF), the HED Hydrodynamics Project has implemented a common methodology, or "Authority", for modeling high energy density (HED) experiments by extending development of the Eulerian Applications Project code Authority, "EAPA," to include relevant physics models, customization tools and templates, and in situ and post-processing capabilities. Additionally, several models for small-scale HED experiments were successfully added to the CMF and simulations reproduce the results of preexisting, benchmarked input decks. We expect use of the CMF to improve our effectiveness in developing predictive capabilities for experiments ranging from small-scale planar single-interface, single-shock to multi-interface, multi-shock configurations and up through multi-shell inertial confinement fusion (ICF) implosions. Additionally, this will strengthen our ability to design future targeted experiments. Using the CMF infrastructure and Authorities for HED modeling has three key impacts. First, it enables a version-controlled, pedigreed and archived base model for each experiment with tools that allow easy setup, execution and analysis of simulations to assess and/or expose sensitivities to various parameters. Second, having a common base set of inputs and physics definitions helps identify systematic differences between models in the codes and experimental data to support code validation, and build confidence in our predictive capabilities. Finally, designed to work in concert with multiple programs and projects including PEM, IC, OES, V&V and DSW, the CMF supports improved collaboration and integration through shared model definitions, data, simulations and results, enhancing the workflow required to underwrite the knowledge base and capabilities ultimately required for stockpile stewardship

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Strategy for Low-Mass Dark Matter Searches with Cryogenic Detectors in the SuperCDMS SNOLAB Facility

The SuperCDMS Collaboration is currently building SuperCDMS SNOLAB, a dark matter search focused on nucleon-coupled dark matter in the 1-5 GeV mass range. Looking to the future, the Collaboration has developed a set of experience-based upgrade scenarios, as well as novel directions, to extend the search for dark matter using the SuperCDMS technology in the SNOLAB facility. The experienced-based scenarios are forecasted to probe many square decades of unexplored dark matter parameter space below 5 GeV, covering over 6 decades in mass: 1-100 eV for dark photons and axion-like particles, 1-100 MeV for dark-photon-coupled light dark matter, and 0.05-5 GeV for nucleon-coupled dark matter. They will reach the neutrino fog in the 0.5-5 GeV mass range and test a variety of benchmark models and sharp targets. The novel directions involve greater departures from current SuperCDMS technology but promise even greater reach in the long run, and their development must begin now for them to be available in a timely fashion. The experienced-based upgrade scenarios rely mainly on dramatic improvements in detector performance based on demonstrated scaling laws and reasonable extrapolations of current performance. Importantly, these improvements in detector performance obviate significant reductions in background levels beyond current expectations for the SuperCDMS SNOLAB experiment. Given that the dominant limiting backgrounds for SuperCDMS SNOLAB are cosmogenically created radioisotopes in the detectors, likely amenable only to isotopic purification and an underground detector life-cycle from before crystal growth to detector testing, the potential cost and time savings are enormous and the necessary improvements much easier to prototype.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

PRISTINE: An Emulation Platform for PCB-Level Hardware Trojans

Printed circuit Boards (PCBs) are becoming increasingly vulnerable to malicious design alteration, also known as Trojan attacks, due to a distributed business model that often involves various untrusted parties. Such attacks can be mounted at various stages in the PCB life cycle. The relative ease of alteration of PCB hardware even after fabrication (due to physical access to surface-mounted critical components and traces) makes them attractive for an adversary to manipulate their functional/physical behavior for malicious intent. There is a growing need to explore viable Trojan attacks in a PCB, analyze their functional and physical characteristics (e.g., impact on power or delay), and study the effectiveness of countermeasures against these attacks. While simulation-based approaches for PCB Trojan insertion are effective at creating a large population of possible Trojans, they fail to provide functional feasibility analysis with a realistic workload for a trigger circuit. Also, they cannot estimate a Trojan’s side-channel footprint due to the unavailability of physical models of diverse PCB components. To address these deficiencies, in this paper, we present PRISTINE, a PCB-level emulation system for any integrity or physical tampering issues, specifically, hardware Trojan insertion. The need for building such an emulation platform to resolve PCB trust issues in the supply chain is also surveyed and discussed. Both custom Hardware Hacking (HaHa) boards and multiple commercial PCBs are then used to test the ability of the proposed system to emulate various hardware Trojans specially designed to exploit board-specific hardware characteristics. Experimental results on emulated board-level Trojans show that a wide range of Trojans can be successfully activated, thus enabling the expected payload effects on both types of boards to be studied and quantified. The resulting data are further analyzed to create PCB-level Trojan benchmarks. In particular, a comparative evaluation of the experimental results is used to propose a risk level metric that quantifies the probability of detection and degree of payload impact of each Trojan on a given commercial PCB.

47 OTHER INSTRUMENTATION↗

Methods and Experiences for Developing Abstractions for Data-intensive, Scientific Applications

Developing software for scientific applications that require the integration of diverse types of computing, instruments, and data present challenges that are distinct from commercial software. These applications require scale, and the need to integrate various programming and computational models with evolving and heterogeneous infrastructure. Pervasive and effective abstractions for distributed infrastructures are thus critical; however, the process of developing abstractions for scientific applications and infrastructures is not well understood. While theory-based approaches for system development are suited for well-defined, closed environments, they have severe limitations for designing abstractions for scientific systems and applications. The design science research (DSR) method provides the basis for designing practical systems that can handle real-world complexities at all levels. In contrast to theory-centric approaches, DSR emphasizes both practical relevance and knowledge creation by building and rigorously evaluating all artifacts. In this work, we show how DSR provides a well-defined framework for developing abstractions and middleware systems for distributed systems. Specifically, we address the critical problem of distributed resource management on heterogeneous infrastructure over a dynamic range of scales, a challenge that currently limits many scientific applications. We use the pilot-abstraction, a widely used resource management abstraction for high-performance, high throughput, big data, and streaming applications, as a case study for evaluating the DSR activities. For this purpose, we analyze the research process and artifacts produced during the design and evaluation of the pilot-abstraction. We find DSR provides a concise framework for iteratively designing and evaluating systems. Finally, we capture our experiences and formulate different lessons learned.

97 MATHEMATICS AND COMPUTING↗

Improved Benchmarking of Cohesive Elements in Abaqus Standard for Predicting Disbond and Delamination in Composite Structures

Traditional approaches for aircraft certification require the assumption of an initial flaw condition, either represented as barely visible impact damage (BVID) or through inclusion of a Teflon insert to serve as surrogate damage. Based on the initial composite damage state, the structure must be shown to demonstrate structural durability and damage tolerance (DaDT) according to the following criteria: a. Damage displays no detrimental growth under cyclic loading b. The structure is able to sustain design limit load (DLL) Currently, the only available manner for validating structural performance is through test. Since damage can occur over a wide variety of areas within a structure, this approach has proven to be increasingly expensive and time consuming for composite airframes and acreage structure within the design-test-certification building block. A further complicating factor is the requirement to accurately capture the most critical damage morphologies as a starting condition. To understand the severity of the damage, it is either required to experimentally determine the most critical areas at tremendous expense or rely on legacy data of similar structural testing, which limits design space expansion. A preferred solution is to use advanced analysis to provide improved understanding of load margins for critical locations based on a wide variety of potential starting damage conditions. The standard industry approach for DaDT certification adheres to the use of the traditional virtual crack closure technique (VCCT) method. VCCT is generally a preferred method because it conforms to the current certification principles of damage from a known flaw, and when used correctly, can be effective at predicting delamination propagation under static and cyclic loading. The VCCT method requires the inclusion of an initial flaw in the finite element (FE) model requiring a-priori knowledge of the flaw location. This in turn requires a plethora of analysis cases to be examined to cover a reasonable span of potential damage states. Additionally, the VCCT approach requires node-to-node connectivity rendering it incompatible with the best practices and approaches for using continuum damage mechanics (CDM) based progressive damage and failure analysis (PDFA) tools within a typical FE solver. Alternatives to VCCT have emerged in the form of cohesive elements which utilize the cohesive zone model (CZM). Unlike VCCT which models linear elastic fracture mechanics, cohesive elements couples continuum and fracture based responses through the use of bilinear traction separation laws. These laws are defined based on a penalty stiffness, a cohesive strength, and a strain energy release rate. The approach can be mesh regularized with native cohesive elements within many FE solvers such as Abaqus and LS-DYNA. In Phase I of the NASA Advanced Composites Consortium (ACC) post-buckled stiffened panel with BVID, Strength and Life [1], the performance of cohesive elements were benchmarked in comparison to VCCT and LEFM solutions and showed good agreement using Abaqus explicit [2]. To realize savings on current and future programs, it is still necessary to close technical gaps related to the use of cohesive elements with Abaqus Standard. Within a program environment, standard finite element analysis is the preferred analytical capability for quasi-static loading as it eliminates uncertainty due to oscillatory behavior commonly seen with explicit analysis. This oscillatory behavior creates difficulties in writing margins of safety based on the analysis. The use of negative tangent stiffness material models complicates convergence which typically requires the use of numerical controls such as viscous damping to overcome. To date, there has not been a comprehensive study on how to establish best practices for cohesive element convergence for predictive capability within the Abaqus implicit solver. In pursuit of these goals, under the NASA ACC program, several numerical benchmark problems were proposed including pure mode I (double cantilevered beam – DCB), pure mode II (end notch flexure – ENF), and symmetric/unsymmetric evolving mixed mode (single leg bend – SLB). This paper focuses on the use of cohesive elements to model the delamination through the use of CZM. Specifically, finite element models for the DCB, ENF, symmetric SLB, and unsymmetric SLB, are developed and various solution controls for convergence are studied to develop a best practice. Once the best practice has been developed, the predictive capability of the objective CZM model is used to analyze the hat pull-off strength of a standard hat stiffened configuration under various loading conditions.

Abaqus↗

Dendritic Alloy Solidification Experiment (DASE)

A space experiment, and supporting ground-based research, is proposed to study the microstructural evolution in free dendritic growth from a supercooled melt of the transparent model alloy succinonitrile-acetone (SCN-ACE). The research is relevant to equiaxed solidification of metal alloy castings. The microgravity experiment will establish a benchmark for testing of equiaxed dendritic growth theories, scaling laws, and models in the presence of purely diffusive, coupled heat and solute transport, without the complicating influences of melt convection. The specific objectives are to: determine the selection of the dendrite tip operating state, i.e. the growth velocity and tip radius, for free dendritic growth of succinonitrile-acetone alloys; determine the growth morphology and sidebranching behavior for freely grown alloy dendrites; determine the effects of the thermal/solutal interactions in the growth of an assemblage of equiaxed alloy crystals; determine the effects of melt convection on the free growth of alloy dendrites; measure the surface tension anisotropy strength of succinon itrile -acetone alloys establish a theoretical and modeling framework for the experiments. Microgravity experiments on equiaxed dendritic growth of alloy dendrites have not been performed in the past. The proposed experiment builds on the Isothermal Dendritic Growth Experiment (IDGE) of Glicksman and coworkers, which focused on the steady growth of a single crystal from pure supercooled melts (succinonitrile and pivalic acid). It also extends the Equiaxed Dendritic Solidification Experiment (EDSE) of the present investigators, which is concerned with the interactions and transients arising in the growth of an assemblage of equiaxed crystals (succinonitrile). However, these experiments with pure substances are not able to address the issues related to coupled heat and solute transport in growth of alloy dendrites.

Beckermann, C.↗