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At least 1,171 records · Page 65

(U) A General-Purpose Code for Correlated Sampling Using Batch Statistics with MCNP6 for Fixed-Source Problems

Correlated sampling can be used to reduce the uncertainty of a difference of tallies by taking advantage of the negative covariance term in the sandwich formula. Booth first showed how correlated sampling can be applied with batch statistics using MCNP’s tally fluctuation chart (TFC) to reduce the uncertainty of a difference of tallies in fixed-source problems. Booth presented a problem in which a 1273% uncertainty in a difference was reduced to 8% by accounting for correlations. Researchers He and Su recently studied correlated sampling using the TFC in MCNP version 5. They determined that the code did not print enough digits in the TFC tally means for accurate batch statistics in some cases. After modifying the source code, they concluded that “correlated sampling can yield a standard deviation of about one magnitude smaller than that predicted by the direct, un-correlated simulation when the changes in system response are small (say about 1%), which is equivalent to saving in CPU time by a factor of 100. Such saving [sic] becomes less significant as the change in system response becomes larger.” He and Su provided the formulas needed to apply batch statistics to compute the correlated uncertainty of a difference of tallies. In this report, we follow up on their work by providing the formulas needed to apply batch statistics to compute the correlated uncertainty of a ratio of tallies and of a difference of two tallies divided by a third tally. We extend these formulas to differences and ratios of ratios. These formulas are applied to reduce the uncertainty associated with calculating a relative sensitivity. He and Su did not investigate the accuracy of their correlated sampling uncertainty estimates. We use their test problems and evaluate the accuracy of the uncertainty estimates by comparing with results obtained from random sampling, and, in simple cases, with theoretical values of the “exact” uncertainties. We find that the uncertainties obtained from batch statistics are accurate as long as at least 100 batches are used. We present a new computer code, COSUBS (COrrelated Sampling Using Batch Statistics), that reads MCNP6 TFCs and applies correlated sampling using batch statistics for the tally combinations that the user specifies. COSUBS is a very general tool that compares all TFCs for a base case and one or two perturbed cases. It computes uncertainties for ratios if given only a base case. This report is organized as follows. The equations to apply batch statistics to the difference of random tallies are reviewed in Sec. II. Section III presents the equations for applying batch statistics to a ratio of random tallies; this is useful for computing relative sensitivities using a one-sided finite difference and the relative sensitivity using the differential operator method. Section IV presents the equations for applying batch statistics to a difference of two random tallies divided by a third; this is useful for computing a relative sensitivities using a central difference. Section V presents the equations for applying batch statistics to a difference of two ratios with four random tallies. Section VI presents the equations for applying batch statistics to a one-sided finite difference estimate of the relative sensitivity of a ratio (this uses four random tallies). Section VII presents the equations for applying batch statistics to a central difference estimate of the relative sensitivity of a ratio (this uses six random tallies). Section VIII presents the equations for applying batch statistics to a sum of random tallies. Section IX discusses how to apply batch statistics using MCNP6. Section X presents COSUBS, describing its command-line options and logic. Sections XI through XVI present numerical results for various test problems. Section XVII is a summary and conclusions. Appendix A derives the theoretical Monte Carlo tally variance given certain assumptions; these variances are used to verify the batch statistics for some of the problems. Appendix B lists the MCNP6 input for the unperturbed example problem. Appendix C presents modifications made to MCNP6.3 to support this work.

97 MATHEMATICS AND COMPUTING↗

Porosity-Permeability Evolution During Simultaneous Mineral Dissolution and Precipitation

Permeability in reactive porous media evolves in complex ways that are hard to predict. Macroscopic empirical equations are often used to estimate permeability evolution but fail to reflect the impact of pore scale reactions on permeability. This work aims to understand the evolution of permeability in systems where mineral dissolution and precipitation occur simultaneously. Pore network models are used for permeability simulation of a Paluxy sandstone using pore and pore-throat size distributions from the analysis of X-ray CT images. Pore and pore-throat radii are increased and decreased to reflect the effects of dissolution and precipitation reactions. Varying spatial distributions of reactions are simulated and the resulting porosity and permeability values compared with commonly used macroscopic equations. It is observed that when dissolution occurs at the inlet and precipitation at the outlet, porosity increases while permeability decreases. Similar results are also observed in the respective opposite scenario where precipitation occurs at the inlet and dissolution at the outlet. When dissolution and precipitation reactions are randomly distributed throughout the network, porosity increases with little change in permeability that is not captured by the empirical equations. When reactions are controlled by pore and pore-throat sizes, such as dissolution occurring in pores and pore-throats of small size and precipitation in pores and pore-throats of larger size, porosity and permeability decrease. When precipitation occurs in pores and pore-throats of smaller size and dissolution in pores and pore-throats of larger size, porosity and permeability increase and is described relatively well by the Verma-Pruess porosity-permeability equation.

54 ENVIRONMENTAL SCIENCES↗

Spoofing Cross-Entropy Measure in Boson Sampling

Cross-entropy (XE) measure is a widely used benchmark to demonstrate quantum computational advantage from sampling problems, such as random circuit sampling using superconducting qubits and boson sampling (BS). We present a heuristic classical algorithm that attains a better XE than the current BS experiments in a verifiable regime and is likely to attain a better XE score than the near-future BS experiments in a reasonable running time. The key idea behind the algorithm is that there exist distributions that correlate with the ideal BS probability distribution and that can be efficiently computed. The correlation and the computability of the distribution enable us to postselect heavy outcomes of the ideal probability distribution without computing the ideal probability, which essentially leads to a large XE. Our method scores a better XE than the recent Gaussian BS experiments when implemented at intermediate, verifiable system sizes. Much like current state-of-the-art experiments, we cannot verify that our spoofer works for quantum-advantage-size systems. However, we demonstrate that our approach works for much larger system sizes in fermion sampling, where we can efficiently compute output probabilities. Finally, we provide analytic evidence that the classical algorithm is likely to spoof noisy BS efficiently.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Predictor-Corrector Strategy for Adaptivity in Dynamical Low-Rank Approximations

Here, in this paper, we present a predictor-corrector strategy for constructing rank-adaptive, dynamical low-rank approximations (DLRAs) of matrix-valued ODE systems. The strategy is a compromise between (i) low-rank step-truncation approaches that alternately evolve and compress solutions and (ii) strict DLRA approaches that augment the low-rank manifold using subspaces generated locally in time by the DLRA integrator. The strategy is based on an analysis of the error between a forward temporal update into the ambient full-rank space, which is typically computed in a step-truncation approach before recompressing, and the standard DLRA update, which is forced to live in a low-rank manifold. We use this error, without requiring its full-rank representation, to correct the DLRA solution. A key ingredient for maintaining a low-rank representation of the error is a randomized SVD, which introduces some degree of stochastic variability into the implementation. The strategy is formulated and implemented in the context of discontinuous Galerkin spatial discretizations of PDEs and applied to several versions of DLRA methods found in the literature as well as a new variant. Numerical experiments comparing the predictor-corrector strategy to other methods demonstrate robustness to overcome shortcomings of step truncation or strict DLRA approaches: The former may require more memory than is strictly needed, while the latter may miss transients solution features that cannot be recovered. The effect of randomization, tolerances, and other implementation parameters is also explored.

97 MATHEMATICS AND COMPUTING↗

Transit Rider/Travel Behavior Inventory Survey - Minneapolis-St. Paul Metro - 1990

The 1990 transit on-board survey aimed to update the 1988 survey, which was conducted as part of the Preliminary Engineering Study for the Hennepin County Light Rail Transit System. The 1988 study received Regional Transit Board funding, and survey results could be applied to a mode split model for projecting ridership on the proposed Light Rail Transit System. However, this survey was designed with the 1990 Travel Behavior Inventory in mind. The intention had been to update the 1988 survey in 1990 to be compatible with the 1990 Travel Behavior Inventory data. The results of the 1990 survey were used primarily to create a table of observed transit trips between each of the 1,200 traffic analysis zones in the region. This trip table was used to calibrate a new mode split model, which estimated future year travel by mode. The 1990 update survey focused on new routes and routes that had changed significantly since 1988. To preserve compatibility with the 1988 survey, the same survey questionnaire card was used, together with the same survey procedures for data collection. The procedures randomly sampled bus patrons during the transit trip, asking key questions about the patron and the transit trip. The survey card was intended for patrons to fill out quickly so it could be completed during the transit trip. The questions focused on conditions that have proven over time to significantly influence ridership. In all, a total of 20,126 valid survey records were processed. Adding surrogate trips, the survey data file is composed of a total of 27,159 trip records . About 10% of the records were filled out by persons who had answered more than one questionnaire.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Travelling wave‐based fault detection and location in a real low‐voltage DC microgrid

Abstract This paper discusses a device‐level implementation of a travelling wave (TW) protection device (PD) designed for a real low‐voltage DC microgrid. The TWPD fault detection and location algorithm is executed on a commercial digital signal processor (DSP) board, involving signal sampling at 1 MHz via the DSP board's analog‐to‐digital converter (ADC). The analogue input card measures positive pole, negative pole and pole‐to‐pole voltages at the TWPD location. Upon a successful fault detection using a second‐order high‐pass filter, the voltage data is normalised and multi‐resolution analysis (MRA) is performed on a 128‐sample buffer around the TW arrival time. MRA employs the discrete wavelet transform (DWT) to capture high‐frequency voltage patterns, and then the Parseval's energy theorem quantifies these TW characteristics by computing the energy of reconstructed wavelet coefficients. These energy values per decomposed frequency band are the basis for training a random forest classifier that predicts fault location and type. The TWPD is fully implemented and connected to a real DC microgrid in Albuquerque, NM, USA, for validation, and results are shown for field tests verifying the performance under faults.

Paruthiyil, Sajay Krishnan [Department of Electric↗

A novel improved model for building energy consumption prediction based on model integration

Building energy consumption prediction plays an irreplaceable role in energy planning, management, and conservation. Constantly improving the performance of prediction models is the key to ensuring the efficient operation of energy systems. Moreover, accuracy is no longer the only factor in revealing model performance, it is more important to evaluate the model from multiple perspectives, considering the characteristics of engineering applications. Based on the idea of model integration, this paper proposes a novel improved integration model (stacking model) that can be used to forecast building energy consumption. The stacking model combines advantages of various base prediction algorithms and forms them into “meta-features” to ensure that the final model can observe datasets from different spatial and structural angles. Two cases are used to demonstrate practical engineering applications of the stacking model. A comparative analysis is performed to evaluate the prediction performance of the stacking model in contrast with existing well-known prediction models including Random Forest, Gradient Boosted Decision Tree, Extreme Gradient Boosting, Support Vector Machine, and K-Nearest Neighbor. The results indicate that the stacking method achieves better performance than other models, regarding accuracy (improvement of 9.5%–31.6% for Case A and 16.2%–49.4% for Case B), generalization (improvement of 6.7%–29.5% for Case A and 7.1%-34.6% for Case B), and robustness (improvement of 1.5%–34.1% for Case A and 1.8%–19.3% for Case B). The proposed model enriches the diversity of algorithm libraries of empirical models.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A superconducting quantum simulator based on a photonic-bandgap metamaterial

Synthesizing many-body quantum systems with various ranges of interactions facilitates the study of quantum chaotic dynamics. Such extended interaction range can be enabled by using nonlocal degrees of freedom such as photonic modes in an otherwise locally connected structure. Here, we present a superconducting quantum simulator in which qubits are connected through an extensible photonic-bandgap metamaterial, thus realizing a one-dimensional Bose-Hubbard model with tunable hopping range and on-site interaction. Using individual site control and readout, we characterize the statistics of measurement outcomes from many-body quench dynamics, which enables in situ Hamiltonian learning. Further, the outcome statistics reveal the effect of increased hopping range, showing the predicted crossover from integrability to ergodicity. Our work enables the study of emergent randomness from chaotic many-body evolution and, more broadly, expands the accessible Hamiltonians for quantum simulation using superconducting circuits.

Science & Technology - Other Topics↗

Online Learning and Pricing for Network Revenue Management with Reusable Resources

We consider a price-based network revenue management problem with multiple products and multiple reusable resources. Each randomly arriving customer requests a product (service) that needs to occupy a sequence of reusable resources (servers). We adopt an incomplete information setting where the firm does not know the price-demand function for each product and the goal is to dynamically set prices of all products to maximize the total expected revenue of serving customers. We propose novel batched bandit learning algorithms for finding near-optimal pricing policies, and show that they admit a near-optimal cumulative regret bound of $O(J\sqrt{XT})$, where J, X, and T, are the numbers of products, candidate prices, and service periods, respectively. As part of our regret analysis, we develop the first finite-time mixing time analysis of an open network queueing system (i.e., the celebrated Jackson Network), which could be of independent interest. Our numerical studies show that the proposed approaches perform consistently well.

42 ENGINEERING↗

A Pattern-Recognition-Based Ensemble Data Imputation Framework for Sensors from Building Energy Systems

Building operation data are important for monitoring, analysis, modeling, and control of building energy systems. However, missing data is one of the major data quality issues, making data imputation techniques become increasingly important. There are two key research gaps for missing sensor data imputation in buildings: the lack of customized and automated imputation methodology, and the difficulty of the validation of data imputation methods. In this paper, a framework is developed to address these two gaps. First, a validation data generation module is developed based on pattern recognition to create a validation dataset to quantify the performance of data imputation methods. Second, a pool of data imputation methods is tested under the validation dataset to find an optimal single imputation method for each sensor, which is termed as an ensemble method. The method can reflect the specific mechanism and randomness of missing data from each sensor. The effectiveness of the framework is demonstrated by 18 sensors from a real campus building. The overall accuracy of data imputation for those sensors improves by 18.2% on average compared with the best single data imputation method.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Particle transport in Markov stochastic mixtures with spatial gradients

Markov geometries are a prototype class of stochastic media that are widely used to model complex disordered systems. In a series of recent works, we have shown that spatially homogeneous (but possibly non-isotropic) Poisson tessellations can be conveniently used in order to generate three-dimensional realizations of Markov media and thus characterize the features of particle transport e.g. in fragmented fuel elements following severe nuclear accidents or Rayleigh-Taylor turbulent mixing for inertial confinement fusion. In this paper we show that Poisson tessellations can be extended to take into account the presence of spatial gradients, which commonly occur in real-world applications due to material stratification. For this purpose, we will provide an explicit construction of spatially-non-homogeneous Poisson tessellations, fully characterize their statistical properties, and finally illustrate the behaviour of particle transport in such random media. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Adsorption Properties of Au−Ni Surface Alloys with a Nonstoichiometric Moiré Structure: A Density Functional Theory Study

Due to the large lattice mismatch between gold and nickel, gold–nickel surface alloys can form unique nonstoichiometric overlayer structures characterized by a moiré pattern and subsurface defects. For this work, we performed density functional theory (DFT) calculations to study the adsorption of molecular oxygen, atomic hydrogen, and atomic carbon on a gold–nickel(111) surface alloy with 0.46 monolayer gold randomly distributed in the surface layer. We observed six distinct adsorption structures for molecular oxygen characterized by intramolecular stretching frequencies of <700, 729, 795, 857, 929, and 1004 cm –1 , which describe well the experimentally observed high-resolution electron energy-loss spectra. Surface atomic hydrogen adsorption is associated with adsorbate–surface modes in the ∼1000 cm –1 range, while subsurface hydrogen can have features as low as ∼400 cm –1 . We observed a unique adsorption structure for atomic carbon inside the surface dislocation loop defect, which explains the experimentally observed low carbon-surface mode at ∼340 cm –1 . Our study sheds light on the unique adsorption properties of the gold–nickel surface alloys and helps with rationalizing vibrational frequency experimental studies for this system.

adsorption↗

Experimental Investigation of Interactions Between Two Closely Spaced Azimuthal Modes in a Multinozzle Can Combustor

Thermoacoustic instabilities in annular or circular combustors are often coupled with azimuthal modes. These modes can be characterized by a spin ratio (SR), which quantifies the dominant mode between two counter-rotating waves, and a phase difference between them, which is directly related to the orientation of the antinodal line. This study investigates the instability amplitudes, SR, and phase difference of two closely spaced (3% of their mean frequency), yet distinct azimuthal modes; one is the first azimuthal (1A) mode, and the other is a combination of first azimuthal and first longitudinal (1A1L) mode. Each mode itself consists of two peaks that are spaced even more closely in frequency (0.8%). Furthermore, distinct harmonics at 2× and 3× of these frequencies, presumably associated with nonlinearities, are also evident in the spectra. Each mode is bandpass filtered in spectrum to analyze them separately. For the 1A mode, the SR and phase difference exhibit a variety of behaviors—including quasi-periodic standing waves, spinning waves, and intermittency—depending on operating conditions such as thermal power and azimuthal fuel staging. Similar trends are observed for the 1A1 L mode. Moreover, there is clear coupling between the 1A and 1A1 L modes, as their SRs are almost synchronized during the quasi-periodic standing wave. This synchronization is observed in phase differences as well, but not in the instability amplitude. For spinning dominant wave conditions, the SRs of each mode have similar average values, but they fluctuate in a seemingly random fashion. For the phase difference, both average and fluctuation are not correlated. In contrast, the instability amplitudes are strongly correlated, with modulation of the 1A mode leading to that of the 1A1 L mode. Furthermore, these results clearly indicate that complex coupling occurs across closely spaced frequencies under instability conditions, coupling that must be understood in order to capture limit cycle dynamics.

33 ADVANCED PROPULSION SYSTEMS↗

Objective Phenotyping of Root System Architecture Using Image Augmentation and Machine Learning in Alfalfa (Medicago sativa L.)

Active breeding programs specifically for root system architecture (RSA) phenotypes remain rare; however, breeding for branch and taproot types in the perennial crop alfalfa is ongoing. Phenotyping in this and other crops for active RSA breeding has mostly used visual scoring of specific traits or subjective classification into different root types. While image-based methods have been developed, translation to applied breeding is limited. This research is aimed at developing and comparing image-based RSA phenotyping methods using machine and deep learning algorithms for objective classification of 617 root images from mature alfalfa plants collected from the field to support the ongoing breeding efforts. Our results show that unsupervised machine learning tends to incorrectly classify roots into a normal distribution with most lines predicted as the intermediate root type. Encouragingly, random forest and TensorFlow-based neural networks can classify the root types into branch-type, taproot-type, and an intermediate taproot-branch type with 86% accuracy. With image augmentation, the prediction accuracy was improved to 97%. Coupling the predicted root type with its prediction probability will give breeders a confidence level for better decisions to advance the best and exclude the worst lines from their breeding program. This machine and deep learning approach enables accurate classification of the RSA phenotypes for genomic breeding of climate-resilient alfalfa.

59 BASIC BIOLOGICAL SCIENCES↗

Microfluidic systems, pumps, valves, fluidic chips thereof, and applications of same

Microfluidic systems, pumps, valves and applications of the same are provided. The microfluidic system may be a pump or a valve having a fluidic chip and an actuator controlling the opening and closing of the fluidic channel in the fluidic chip. The actuator may be disposed to tilt from the fluidic chip, forming a tilted-rotor peristaltic pump. Alternatively, the actuator may be a rolling ball actuator, and different fluidic chips may be used in different applications. For example, the fluidic chip may be a spiral pump chip having spiral channels, a rotary peristaltic pump chip having multiple output channels, or a multi-port valve chip having one port interconnected with multiple different ports. An analytical valve chip may switchably interconnect bioreactor and rinse/calibration input channels to sensor and waste output channels. The actuator of a random-access valve can move from one valve position to another without opening or closing intermediate ones.

Reiserer, Ronald S.↗

Microfluidic systems, pumps, valves, fluidic chips thereof, and applications of same

Microfluidic systems, pumps, valves and applications of the same are provided. The microfluidic system may be a pump or a valve having a fluidic chip and an actuator controlling the opening and closing of the fluidic channel in the fluidic chip. The actuator may be disposed to tilt from the fluidic chip, forming a tilted-rotor peristaltic pump. Alternatively, the actuator may be a rolling ball actuator, and different fluidic chips may be used in different applications. For example, the fluidic chip may be a spiral pump chip having spiral channels, a rotary peristaltic pump chip having multiple output channels, or a multi-port valve chip having one port interconnected with multiple different ports. An analytical valve chip may switchably interconnect bioreactor and rinse/calibration input channels to sensor and waste output channels. The actuator of a random-access valve can move from one valve position to another without opening or closing intermediate ones.

Reiserer, Ronald S.↗

Time Series Dimension Reduction for Surrogate Models of Port Scanning Cyber Emulations

Surrogate model development is a key resource in the scientific modeling community for providing computational expedience when simulating complex systems without loss of great fidelity. The initial step to development of a surrogate model is identification of the primary governing components of the system. Principal component analysis (PCA) is a widely used data science technique that provides inspection of such driving factors, when the objective for modeling is to capture the greatest sources of variance inherent to a dataset. Although an efficient linear dimension reduction tool, PCA makes the fundamental assumption that the data is continuous and normally distributed. Thus, it provides ideal performance when these conditions are met. In the case for which cyber emulations provide realizations of a port scanning scenario, the data to be modeled follows a discrete time series function comprised of monotonically increasing piece-wise constant steps. The sources of variance are related to the timing and magnitude of these steps. Therefore, we consider using XPCA, an extension to PCA for continuous and discrete random variates. This report provides the documentation of the trade-offs between the PCA and XPCA linear dimension reduction algorithms, for the intended purpose to identify key components of greatest variance in our time series data. These components will ultimately provide the basis for future surrogate models of port scanning cyber emulations.

97 MATHEMATICS AND COMPUTING↗

Current and Projected Future Distribution of Plant Community Types for the Southern Seward Peninsula, Alaska

Landscape scale maps of plant community distribution at 5 m resolution were developed for southern Seward Peninsula. A Random Forest based environmental niche model was developed using topographic and climate data sets. Models were trained for the 2010-2019 period and applied to develop plant community distributions for contemporary (2010-2019) period. Trained model was applied to project the plant community distributions under future climate. Using downscaled projections for RCP8.5 scenario from five climate models (CCSM4, GFDL-CM3, GISS-E2-R, IPSL-CM5A-LR, MRI-CGCM3) and multi-model mean, a six member ensemble of plant community distribution were developed for current decade (2010-2019) and for future decades (2020-2029, 2030-2039, 2040-2049, 2050-2059). Contains *.tif and *.sh files. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗