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At least 667 records · Page 37

Exploratory analysis and performance prediction of big data transfer in High-performance Networks

Big data transfer in large-scale scientific and business applications is increasingly carried out over connections with guaranteed bandwidth provisioned in High-performance Networks (HPNs) via advance bandwidth reservation. Provisioning agents need to carefully schedule data transfer requests, compute network paths, and allocate appropriate bandwidths. Such reserved bandwidths, if not fully utilized, could be simply wasted due to the exclusive access during the approved time window, and cause extra overhead and complexity for resource management. This calls for accurate performance prediction to reserve bandwidths that match actual needs and avoid over-provisioning. We employ machine learning algorithms to predict big data transfer performance based on extensive performance measurements collected in the past several years from data transfer tests using different protocols and toolkits between various end sites on several real-life physical or emulated testbeds. We first analyze the performance patterns in response to a comprehensive list of parameters in end-host systems, network connections, and data transfer applications, which motivate the use of machine learning and also help us identify the effects of latent factors. We then propose threshold- and clustering-based methods to eliminate negative effects of latent factors in data preprocessing and build a robust performance predictor based on customized domain-oriented loss functions. The performance of the proposed methods is verified by extensive experiments using SVR and RFR as well as theoretical analysis of the general performance bound.

97 MATHEMATICS AND COMPUTING↗

Bayesian model updating with finite element vs surrogate models: Application to a miter gate structural system

Bayesian finite element (FE) model updating using direct model evaluations of large-scale high-fidelity FE models is extremely computationally expensive. Surrogate models can be used as fast emulators of FE models to accelerate the model calibration process. The physics/mechanics-based FE models are still the underpinning behind the surrogate models. Here, this paper evaluates the loss in accuracy and the gain in computational time while performing Bayesian model updating by using surrogate model evaluations compared to using direct FE model evaluations. This evaluation is crucial before entirely relying on surrogate models in model updating for structural health monitoring (SHM) and damage prognosis (DP) purposes. This paper also demonstrates Bayesian updating and surrogate model construction of large-scale high-fidelity FE models of infrastructure systems. In this regard, the miter gate structural system is considered as the testbed structure. Three predominant damage modes (loss of contact between gate and wall, loss of thickness due to corrosion, and loss of tension in the diagonal rods) are considered for model updating purposes. Bayesian model updating is performed using direct FE evaluations by leveraging parallel computing. Two types of surrogates, namely polynomial chaos expansion (PCE) and Gaussian process regression (GPR), are developed for the miter gate. Model updating is performed again using the trained surrogate models, and the updating results are compared with their counterparts obtained using the direct FE evaluation results. The posterior distribution of the FE model parameters obtained using the trained surrogates are sufficiently accurate with respect to the posterior obtained utilizing the direct FE evaluations. In addition, an approximate 4-fold decrease in the computational time was observed when using surrogate model evaluations instead of direct FE evaluations for model updating.

42 ENGINEERING↗

Using landscape typologies to model socioecological systems: Application to agriculture of the United States Gulf Coast

Agricultural enterprises are vulnerable to the effects of climate variability and change. Improved understanding of the determinants of vulnerability and adaptive capacity in agricultural systems is important for projecting and managing future climate risk. At present, three analytical tools dominate methodological approaches to understanding agroecological vulnerability to climate: process-based crop models, empirical crop models, and integrated assessment models. A common weakness of these approaches is their limited treatment of socio-economic conditions and human agency in modeling agroecological processes and outcomes. This study proposes a framework that uses spatial cluster analysis to generate regional socioecological typologies that capture geographic variance in regional agricultural production and enable attribution of that variance to climatic, topographic, edaphic, and socioeconomic components. This framework was applied to historical corn production (1986-2010) in the U.S. Gulf of Mexico region as a testbed. The results demonstrate that regional socioeconomic heterogeneity is an important driving force in human dominated ecosystems, which we hypothesize, is a function of the link between socioeconomic conditions and the adaptive capacity of agricultural systems. Meaningful representation of future agricultural responses to climate variability and change is contingent upon understanding interactions among biophysical conditions, socioeconomic conditions, and human agency their incorporation in predictive models.

58 GEOSCIENCES↗

DART-PFLOTRAN: An ensemble-based data assimilation system for estimating subsurface flow and transport model parameters

Ensemble-based Data Assimilation (EDA), based on the Monte Carlo approach, has been effectively applied to estimate model parameters through inverse modeling in subsurface flow and transport problems. However, implementation of EDA approach involves a complicated workflow that include setting up and executing ensemble forward model simulations, processing observations and model simulation results for parameter updates, and repeat for sequential or iterative EDA. To facilitate the management of such workflow and lower the barriers for adopting EDA-based parameter estimation in subsurface science, we develop a generic software frame-work linking the Data Assimilation Research Testbed (DART) with a massively parallel subsurface FLOw and TRANsport code PFLOTRAN. The new DART-PFLOTRAN leverages both the core data assimilation engines in DART and the computational power afforded by PFLOTRAN. In addition to the standard smoother and filtering options, DART-PFLOTRAN enables an iterative EDA workflow based on the Ensemble Smoother for Multiple Data Assimilation method (ES-MDA) to improve estimation accuracy for nonlinear forward problems. Here, we verify the implementation of ES-MDA in DART-PFLOTRAN using two synthetic cases designed to estimate static permeability and dynamic exchange fluxes across the riverbed, respectively, from continuous temperature measurements made across a depth profile. One-dimensional hydro-thermal simulations are performed in both cases to relate temperature responses with the parameters of interest. In the case of estimating dynamic parameters, we demonstrate the flexibility of DART-PFLOTRAN in automating sequential ES-MDA workflow, which will significantly reduce the time researchers spend on managing complex workflows in similar applications. Both studies yield accurate estimations of the parameters compared to their synthetic truth, while ES-MDA leads to more accurate estimation when a high level of nonlinearity exist between observed responses and unknown parameters. With a code base in Python and Fortran, DART-PFLOTRAN paves the way for applications in large-scale subsurface inverse modeling by automating the complex workflow of sequential ES-MDA that can be executed on various computing platforms.

97 MATHEMATICS AND COMPUTING↗

Software-Defined Network for End-to-end Networked Science at the Exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work we presen here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end-to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

97 MATHEMATICS AND COMPUTING↗

Communication-efficient certificate revocation management for Advanced Metering Infrastructure and IoT Integration

Advanced Metering Infrastructure forms a communication network for the collection of power data from smart meters in Smart Grid. As the communication between smart meters could be secured utilizing public-key cryptography, however, public-key cryptography still has certain challenges in terms of certificate revocation and management particularly related distribution and storage overhead of revoked certificates. To address this challenge, in this work, we propose a novel revocation management approach by utilizing cryptographic accumulators which reduces the space requirements for revocation information significantly and thus enables efficient distribution of such information to all smart meters. We implemented the proposed approach on both ns-3 network simulator and a testbed. We demonstrated its superior performance with respect to traditional methods for revocation management.

97 MATHEMATICS AND COMPUTING↗

A framework to enhance disaster debris estimation with AI and aerial photogrammetry

This study addresses the critical need to enhance disaster preparedness and response, focusing on hurricane impact assessment and debris estimation. Accurate assessments in this context are critical for post-event search-and-rescue (SAR) operations and resource distribution. Recent computing advancements are revealing the potential of unmanned aerial vehicles (UAVs) and artificial intelligence (AI) technologies in collecting data and assisting with post-hurricane reconnaissance. However, the use of AI and UAV photogrammetry for accurate disaster impact analysis remains underexplored. To this end, this study proposes a damage and debris analysis framework harnessing reality capture through aerial imagery and photogrammetry. Within this framework, a region-based neural network is leveraged to detect debris locations in aerial imagery with favorable performance. In a testbed within the Beaumont-Port Arthur region, in Southeast Texas, this study performs 3D reality captures of the built environment. Since the accuracy of the 3D reality capture is of importance in research areas associated with time-sensitive disaster response, we further investigate the optimal 2D aerial imagery overlap ratio required to generate a sufficiently accurate 3D model for disaster impact analysis and debris volume estimation. Results indicate that, in the case of aerial imagery for infrastructure systems, a minimum of 60 % overlap is recommended for damage assessment and debris analysis. In contrast, for flat green areas, a minimum of 50 % overlap is adequate. Overall, for disaster response applications, our study reveals that an overlap ratio between 60 % and 70 % is optimal for achieving a balance between time efficiency and data quality in aerial data collection. Furthermore, these quantitative recommendations are crucial for enabling efficient disaster response efforts. Additionally, our study outcomes will improve disaster impact analysis and facilitating timely and effective response strategies.

Artificial intelligence↗

Noise propagation in hybrid models of nonlinear systems: The Ginzburg–Landau equation

Every physical phenomenon can be described by multiple models with varying degrees of fidelity. The computational cost of higher fidelity models (e.g., molecular dynamics simulations) is invariably higher than that of their lower fidelity counterparts (e.g., a continuum model based on differential equations). While the former might not be suitable for large-scale simulations, the latter are not universally valid. Hybrid algorithms provide a compromise between the computational efficiency of a coarse-scale model and the representational accuracy of a fine-scale description. This is achieved by conducting a fine-scale computation in subdomains where it is absolutely required (e.g., due to a local breakdown of a continuum model) and coupling it with a coarse-scale computation in the rest of a computational domain. We analyze the effects of random fluctuations generated by the fine-scale component of a nonlinear hybrid on the hybrid's overall accuracy and stability. Two variants of the time-dependent Ginzburg–Landau equation (GLE) and their discrete representations provided by a nearest-neighbor Ising model serve as a computational testbed. Our analysis shows that coupling these descriptions in a one-dimensional simulation leads to erroneous results. Adding a random source term to the GLE provides accurate prediction of the mean behavior of the quantity of interest (magnetization). It also allows the two GLE variants to correctly capture the strength of the microscale fluctuations. Our work demonstrates the importance of fine-scale noise in hybrid simulations, and suggests the need for replacing an otherwise deterministic coarse-scale component of the hybrid with its stochastic counterpart.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Conservative tightly-coupled simulations of stochastic multiscale systems

Multiphysics problems often involve components whose macroscopic dynamics is driven by microscopic random fluctuations. The fidelity of simulations of such systems depends on their ability to propagate these random fluctuations throughout a computational domain, including subdomains represented by deterministic solvers. When the constituent processes take place in nonoverlapping subdomains, system behavior can be modeled via a domain-decomposition approach that couples separate components at the interfaces between these subdomains. Its coupling algorithm has to maintain a stable and efficient numerical time integration even at high noise strength. We propose a conservative domain-decomposition algorithm in which tight coupling is achieved by employing either Picard's or Newton's iterative method. Coupled diffusion equations, one of which has a Gaussian white-noise source term, provide a computational testbed for analysis of these two coupling strategies. Fully-converged (“implicit”) coupling with Newton's method typically outperforms its Picard counterpart, especially at high noise levels. This is because the number of Newton iterations scales linearly with the amplitude of the Gaussian noise, while the number of Picard iterations can scale superlinearly. At large time intervals between two subsequent inter-solver communications, the solution error for single-iteration (“explicit”) Picard's coupling can be several orders of magnitude higher than that for implicit coupling. Increasing the explicit coupling's communication frequency reduces this difference, but the resulting increase in computational cost can make it less efficient than implicit coupling at similar levels of solution error, depending on the communication frequency of the latter and the noise strength. This trend carries over into higher dimensions, although at high noise strength explicit coupling may be the only computationally viable option.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Characterization of flow and transport in a fracture network at the EGS Collab field experiment through stochastic modeling of tracer recovery

Energy extraction from subsurface reservoirs is important for addressing the increasing energy demand and environmental concerns such as global warming. However, the characterization of subsurface reservoirs, particularly reservoirs dominated by fracture networks remains a challenge due to the lack of means to directly observe subsurface processes. This study explores the feasibility and efficacy of characterizing fracture flow and transport processes in an enhanced geothermal system (EGS) testbed through stochastic tracer modeling. There are two enabling factors that allow application of stochastic modeling to characterize a subsurface reservoir. First, an abundance of geological and geophysical measurements enables the development of a high-fidelity and well-constrained fracture network model. Second, high-performance computing (HPC) allows running massive realizations efficiently. Six conservative tracer tests were stochastically modeled and produced satisfactory realizations that successfully reproduce field tracer recovery data from each tracer test. The evolution of flow and transport processes in the fracture network was then analyzed from these satisfactory realizations. This work demonstrates that stochastic tracer modeling on a high-fidelity fracture network model is feasible and can provide important insights regarding flow and transport characteristics in subsurface fractured reservoirs.

58 GEOSCIENCES↗

Large resistance change on magnetic tunnel junction based molecular spintronics devices

Here, molecular bridges covalently bonded to two ferromagnetic electrodes can transform ferromagnetic materials and produce intriguing spin transport characteristics. This paper discusses the impact of molecule induced strong coupling on the spin transport. To study molecular coupling effect the octametallic molecular cluster (OMC) was bridged between two ferromagnetic electrodes of a magnetic tunnel junction (Ta/Co/NiFe/AlOx/NiFe/Ta) along the exposed side edges. OMCs induced strong inter-ferromagnetic electrode coupling to yield drastic changes in transport properties of the magnetic tunnel junction testbed at the room temperature. These OMCs also transformed the magnetic properties of magnetic tunnel junctions. SQUID and ferromagnetic resonance studies provided insightful data to explain transport studies on the magnetic tunnel junction based molecular spintronics devices.

36 MATERIALS SCIENCE↗

Operational resilience of additively manufactured parts to stealthy cyberphysical attacks using geometric and process digital twins

Cyberphysical attacks on the digital backbone of Additive Manufacturing (AM) can compromise the printed part’s functionality. They can alter features in the digital geometry to introduce geometric defects (e.g., missing fillets) or alter process parameters to create local defects (e.g., voids). Addressing the downtime, waste, and quality deterioration associated with existing solutions requires operational resilience, i.e., rapid elimination or disruption of defect formation (to retain part function) without production stoppage or part disposal (to retain yield). This need is unmet due to the inherently unpredictable nature of attack-induced alterations, lack of access to the original geometric model for identification of altered geometric features, and in-process imposition of unknown process dynamics via attack-driven alteration of real-time-uncontrolled (or exogenous) parameters. This work establishes the above-mentioned operational resilience for the first time by creating two Digital Twins (DT). The Geometric DT (Geo-DT) is based on a unique physical-field-driven soft sensor and topology optimization method. The Process Digital Twin (Pro-DT) combines local defect quantification with a novel Reinforcement Learning formulation and training method. The importance of these methodological advances and the scalability of our approach are examined on a real AM testbed. It is shown that Geo-DT can correct geometric defects without access to the original digital geometry or explicit knowledge of attack-altered geometric features. Further, Pro-DT can accelerate real-time disruption of local defects despite attack-driven imposition of unknown process dynamics. We discuss how our framework goes beyond the contemporary focus on pre-attack security and in-attack detection towards resilience for AM and beyond.

Additive Manufacturing↗

Galactic cosmic ray simulation at the NASA space radiation laboratory – Progress, challenges and recommendations on mixed-field effects

For missions beyond low Earth orbit to the moon or Mars, space explorers will encounter a complex radiation field composed of various ion species with a broad range of energies. Such missions pose significant radiation protection challenges that need to be solved in order to minimize exposures and associated health risks. An innovative galactic cosmic ray simulator (GCRsim) was recently developed at the NASA Space Radiation Laboratory (NSRL) at Brookhaven National Laboratory (BNL). The GCRsim technology is intended to represent major components of the space radiation environment in a ground analog laboratory setting where it can be used to improve understanding of biological risks and serve as a testbed for countermeasure development and validation. The current GCRsim consists of 33 energetic ion beams that collectively simulate the primary and secondary GCR field encountered by humans in space over the broad range of particle types, energies, and linear energy transfer (LET) of interest to health effects. A virtual workshop was held in December 2020 to assess the status of the NASA baseline GCRsim. Workshop attendees examined various aspects of simulator design, with a particular emphasis on beam selection strategies. Experimental results, modeling approaches, areas of consensus, and questions of concern were also discussed in detail. This report includes a summary of the GCRsim workshop and a description of the current status of the GCRsim. This information is important for future advancements and applications in space radiobiology.

79 ASTRONOMY AND ASTROPHYSICS↗

A reduced-order model of concentration polarization in reverse osmosis systems with feed spacers

Feed spacers in reverse osmosis systems generate complex fluid flows that limit computational fluid dynamics (CFD) simulations to small length and time scales. That limits our ability to simulate mineral scaling and other membrane fouling phenomena, which occur over longer length and time scales. Thus motivated, we develop a reduced model that replaces the CFD simulation of the velocity field with an analytical model that mimics spacers. This focuses the remaining numerical effort on simulating the advection–diffusion equation governing solute transport. We motivate and validate the model with CFD simulations and bench-scale experiments of spacer filaments in three different arrangements, including cases of unsteady vortex shedding. We show that the model produces a roughly 10,000-fold speedup compared to CFD, and accurately reproduces CFD predictions of not only the average and maximum concentrations, but also the local concentration distribution along the membrane. Here, we also demonstrate the model for simulating a feed channel with a length-to-height ratio of 200. The model provides a simple testbed for exploratory studies of multispecies transport, precipitation, and membrane fouling phenomena for which simulating spacers is often prohibitive.

Computational fluid dynamics↗

Model for biological communication in a nanofabricated cell-mimic driven by stochastic resonance

Cells offer natural examples of highly efficient networks of nanomachines. Accordingly, both intracellular and intercellular communication mechanisms in nature are looked to as a source of inspiration and instruction for engineered nanocommunication. Harnessing biological functionality in this manner requires an interdisciplinary approach that integrates systems biology, synthetic biology, and nanofabrication. Recent years have seen the amassing of a tremendous wealth of data from the sequencing of new organisms and from high throughput expression experiments. At the same time, a deeper fundamental understanding of individual cell function has been developed, as exemplified by the growth of fields such as noise biology, which seeks to characterize the role of noise in gene expression. The availability of well characterized biological components coupled with a deeper understanding of cell function has led to efforts to engineer both living cells and to create bio-like functionality in non-living substrates in the field of synthetic biology. Here, we present a model system that exemplifies the synergism between these realms of research. We propose a synthetic gene network for operation in a nanofabricated cell mimic array that propagates a biomolecular signal over long distances using the phenomenon of stochastic resonance. Our system consists of a bacterial quorum sensing signal molecule, a bistable genetic switch triggered by this signal, and an array of nanofabricated cell mimic wells that contain the genetic system. An optimal level of noise in the system helps to propagate a time-varying AHL signal over long distances through the array of mimics. This noise level is determined both by the system volume and by the parameters of the genetic network. Our proposed genetically driven stochastic resonance system serves as a testbed for exploring the potential harnessing of gene expression noise to aid in the transmission of a time-varying molecular signal.

nano communication networks↗

Using artificial intelligence to detect human errors in nuclear power plants: A case in operation and maintenance

Human error (HE) is an important concern in safety-critical systems such as nuclear power plants (NPPs). HE has played a role in many accidents and outage incidents in NPPs. Despite the increased automation in NPPs, HE remains unavoidable. Hence, the need for HE detection is as important as HE prevention efforts. In NPPs, HE is rather rare. Hence, anomaly detection, a widely used machine learning technique for detecting rare anomalous instances, can be repurposed to detect potential HE. In this study, we develop an unsupervised anomaly detection technique based on generative adversarial networks (GANs) to detect anomalies in manually collected surveillance data in NPPs. More specifically, our GAN is trained to detect mismatches between automatically recorded sensor data and manually collected surveillance data, and hence, identify anomalous instances that can be attributed to HE. We test our GAN on both a real-world dataset and an external dataset obtained from a testbed, and we benchmark our results against state-of-the-art unsupervised anomaly detection algorithms, including one-class support vector machine and isolation forest. Our results show that the proposed GAN provides improved anomaly detection performance. Our study is promising for the future development of artificial intelligence based HE detection systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Advancement of LANSCE accelerator facility as a 1-MW Fusion Prototypic Neutron Source

The Fusion Prototypic Neutron Source (FPNS) is considered to be a testbed for scientific understanding of material degradation in future nuclear fusion reactors (Zinkle and Moeslang, 2013; Summary Report on the FPNS Workshop, 2018; Pitcher et al., 2019). The primary mission of FPNS is to provide a damage rate in iron samples of 8-11 dpa/calendar year with He/dpa ratio of 10 appm in irradiation volume of 50 cm 3 or larger with irradiation temperature 300–1000 °C and flux gradient less than 20%/cm in the plane of the sample. The Los Alamos Neutron Science Center (LANSCE) is an attractive candidate for the FPNS project. The Accelerator Facility was designed and operated for an extended period as a 0.8-MW Meson Factory. The existing setup of the LANSCE accelerator complex can nearly fulfill requirements of the fusion neutron source station. The primary function of the upgraded accelerator systems is the safe and reliable delivery of a 1.25-mA continuous proton beam current at 800-MeV beam energy from the switchyard to the target assembly to create 1 MW power of proton beam interacting with a solid tungsten target. The present study describes existing accelerator setup and further development required to meet the needs of FPNS project.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗