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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 973 records · Page 54

How Frequent Will the Rarest Daily Rainfall Records of Hurricane Ida’s Remnants Be in the Future?

Abstract Gaining continued insights into the impact of global warming on the occurrence of hurricane-associated intense record downpours is essential for building climate resilient communities. This study investigates projected future changes in extreme rainfall over the Northeast United States, as represented by extreme daily amounts during Hurricane Ida in 2021. We used historical control simulations of Weather Research and Forecasting (WRF) Model generated from 40 years of weather events (1980–2014, 12 km) forced by the fifth generation European Centre for Medium-Range Weather Forecasts atmospheric reanalysis. These simulations are thermodynamically modified (2060–2100) via an imposed warming for the high-emission scenario of shared socioeconomic pathway (SSP585) from a range of general circulation models. Ground observations from the Global Historical Climatology Network (1950–2014) and WRF simulations (historical, 1980–2014, and future, 2060–2100) are integrated into a nonstationary generalized extreme value (GEV) framework to assess the frequency of Ida’s heaviest daily rain rates under the SSP585 scenario. Results show that Ida’s daily maximum rainfall recorded at different observation locations was higher than the single highest September daily maximum observed (1950–2014) for 5 out of 17 stations (∼30% of the stations). Ida-like extreme daily rain rates are projected to be, on average, more than 2 times more likely to occur at the end of the century in the simulations (with some regions as high as 5 times). This work demonstrates that integrating a high-resolution atmospheric model’s present-day and thermodynamically modified future simulations along with ground observations, within a nonstationary statistical framework, is crucial for understanding changing characteristics of extreme weather events. Significance Statement Daily scale extreme precipitation is expected to become more frequent and severe, as evidenced by observations and model simulations. While it is important to investigate how these intensifying heavy rainfall events affect current engineering standards, fewer studies have contextualized how warming impacts the most extreme rainfall from a single storm event relative to historical heavy downpours. In this study, we focused on the daily extreme rainfall associated with the extratropical transition of Hurricane Ida (2021), particularly over the northeastern United States—some of which exceeded the commonly used hydrologic design criteria for a 100-yr storm. Using a high-resolution atmospheric model simulation, we investigated how continued warming may influence the frequency of such daily rain rates. Under a high-emission scenario, these events are projected to become up to 5 times more likely at the end of the twenty-first century.

Dollan, Ishrat J↗

Future SDN-HPON Control Plane Architecture and Protocol for On-Demand Terabit End-to-End Extreme-Scale Science Applications

The UC Davis team conducted architecture, algorithm and experimental studies for next generation ultra-high-bandwidth optical networks in support of extreme-scale science applications. In particular, over the course of this 3-year project, the UC Davis team achieved the following main accomplishments: Designed a network architecture for automated multi-domain service provisioning: Designed information exchange schemes between autonomous systems (domains) Designed application programming interfaces to orchestrate resource reservation in data centers, high performance computation facilities, and communication networks belonging to different autonomous systems Experimentally assessed the multi-domain network architecture in a distributed field trial set-up connecting premises in three continents Designed a broker-based orchestrated multi-domain optical networking framework supporting observe-analyze-act cycle based cognitive inter-domain service provisioning: Designed an inter-domain operation mechanism, e.g., topology abstraction, for the broker plane and domain managers to collaboratively accomplish inter-domain service provisioning while respecting the autonomy of each administrative domain Designed an alien wavelength monitoring scheme and an artificial neural network based optical signal-to-noise ratio estimator for quality-of-transmission aware inter-domain service provisioning Developed a deep neural network based multi-domain traffic predictor and a cognitive routing and spectrum assignment algorithm to realize knowledge-based autonomous traffic engineering in multi-domain networks Implemented an optical signal-to-noise ratio estimator and traffic predictor with Google’s Tensor flow and assessed their performance using experimental and synthetic data Demonstrated the benefits of the proposed cognitive schemes with experiments ona two-domain elastic optical network testbed and evaluations on a six-domain simulation framework Built a two-domain software-defined networking control plane testbed using the ONOS platform and demonstrated the workflow of broker and domain manager cooperation, including hierarchical performance monitoring, topology abstraction and cognitive resource allocation. Designed self-learning cognitive service provisioning schemes using advanced machine learning technologies: Designed a self-taught anomaly detection framework for optical networks, including an unsupervised data clustering module for pattern recognition, a supervised data regression and classification module for online anomaly detection, and the system operation principle Experimentally validated the effectiveness of the self-taught anomaly detection framework with various failure/anomaly scenarios. Designed a self-learning autonomic routing, modulation and spectrum assignment (RMSA) provisioning framework for elastic optical networks with deep reinforcement learning. Designed effective modeling and training mechanisms for the self-learning RMSA framework Conducted extensive numerical simulations with various traffic patterns and topologies to verify the advantage of the self-learning RMSA framework.

42 ENGINEERING↗

Introducing the DREAMS Project: DaRk mattEr and Astrophysics with Machine Learning and Simulations

We introduce the DaRk mattEr and Astrophysics with Machine learning and Simulations (DREAMS) project, an innovative approach to understanding the astrophysical implications of alternative dark matter (DM) models and their effects on galaxy formation and evolution. The DREAMS project will ultimately comprise thousands of cosmological hydrodynamic simulations that simultaneously vary over DM physics, astrophysics, and cosmology in modeling a range of systems—from galaxy clusters to ultra-faint satellites. Such extensive simulation suites can provide adequate training sets for machine-learning-based analyses. This paper introduces two new cosmological hydrodynamical suites of warm dark matter (WDM), each comprising 1024 simulations generated using the arepo code. One suite consists of uniform-box simulations covering a ${(25\,{h}^{-1}\,{\rm{Mpc}})}^{3}$ volume, while the other consists of Milky Way zoom-ins with sufficient resolution to capture the properties of classical satellites. For each simulation, the WDM particle mass is varied along with the initial density field and several parameters controlling the strength of baryonic feedback within the IllustrisTNG model. We provide two examples, separately utilizing emulators and convolutional neural networks, to demonstrate how such simulation suites can be used to disentangle the effects of DM and baryonic physics on galactic properties. The DREAMS project can be extended further to include different DM models, galaxy formation physics, and astrophysical targets. In this way, it will provide an unparalleled opportunity to characterize uncertainties on predictions for small-scale observables, leading to robust predictions for testing the particle physics nature of DM on these scales.

cosmological parameters↗

Pushing back the limit of ab-initio quantum transport simulations on hybrid supercomputers, In: SC '15 Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

The capabilities of CP2K, a density-functional theory package and OMEN, a nano-device simulator, are combined to study transport phenomena from first-principles in unprecedentedly large nanostructures. Based on the Hamiltonian and overlap matrices generated by CP2K for a given system, OMEN solves the Schrödinger equation with open boundary conditions (OBCs) for all possible electron momenta and energies. To accelerate this core operation a robust algorithm called SplitSolve has been developed. It allows to simultaneously treat the OBCs on CPUs and the Schrödinger equation on GPUs, taking advantage of hybrid nodes. Our key achievements on the Cray-XK7 Titan are (i) a reduction in time-to-solution by more than one order of magnitude as compared to standard methods, enabling the simulation of structures with more than 50000 atoms, (ii) a parallel efficiency of 97% when scaling from 756 up to 18564 nodes, and (iii) a sustained performance of 15 DP-PFlop/s.

Computer Science↗

Assessment of Existing Capabilities and Future Needs for Designing Networked Microgrids

This is a review of existing microgrid design tool capabilities, such as the Microgrid Design Tool (MDT), LANL PNNL NRECA Optimal Resilience Model (LPNORM), Distributed Energy Resource-Customer Adoption Model (DER-CAM), Renewable Energy Optimization (REopt), and the Hybrid Optimization Model for Multiple Energy Resources (HOMER). Additionally, other simulation and analysis tools which may provide fundamental support will be examined. These will include GridLAB-DTM, OpenDSS, and the hierarchical Engine for Large-scale Infrastructure Co-Simulation (HELICS). Their applicability to networked microgrid operations will be evaluated, and strengths and gaps of existing tools will be identified. This review will help to determine which elements of the proposed optimal design and operations (OD&D) tool should be formulated from first principles, and which elements should be integrated from past DOE investments.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Estimating Internal Stress of an Alteration Layer Formed on Corroded Boroaluminosilicate Glass through Spectroscopic Ellipsometry Analysis

Aqueous corrosion of glass may result in the formation of an alteration layer in the glass surface of which chemical composition and network structure are different from those of the bulk glass. Since corrosion occurs far below the glass-transition temperature, the alteration layer cannot fully relax to the new structure with the lowest possible energy. Molecular dynamics simulations suggested that such a network will contain highly strained chemical bonds, which can be manifested as a stress in the alteration layer. Common techniques to measure stress in thin films or surface layers were found inadequate for thick monolithic glass samples corroded in water. Here, we explored the use of spectroscopic ellipsometry to test the presence of internal stress in the alteration layer formed by aqueous corrosion of glass. Furthermore, a procedure for analyses of spectroscopic ellipsometry data to determine birefringence in the alteration layer was developed. Findings with the established fitting procedure suggested that a stress builds up in the corroded surface layer of a boroaluminosilicate glass if there is a change in relative humidity, pH, or electrolyte concentration of the environment to which the glass surface is exposed. A similar process may occur in other types of glass, and it may affect the surface properties of corroded glass objects.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

An Integrated Transmission-Distribution Co-Simulation for a Distribution System with High Renewable Penetration

Traditionally, transmission and distribution system dynamic simulations are performed independently. However, dynamic co-simulation of transmission-distribution systems can be beneficial in analyzing distribution systems with high penetration of distributed renewable resources. The authors describe a framework for conducting transmission-distribution dynamic co-simulation (TDDS). A model of a real network including detailed models of solar photovoltaic units in the distribution system is constructed. The initial operating point of the network is validated against field measurements. The TDDS tool is used to simulate a single line-to-ground fault on the distribution system, highlighting the need for conducting transmission-distribution co-simulations.

14 SOLAR ENERGY↗

Experimental Definition and Validation of Protein Coding Transcripts in Chlamydomonas reinhardtii

Algal fuel sources promise unsurpassed yields in a carbon neutral manner that minimizes resource competition between agriculture and fuel crops. Many challenges must be addressed before algal biofuels can be accepted as a component of the fossil fuel replacement strategy. One significant challenge is that the cost of algal fuel production must become competitive with existing fuel alternatives. Algal biofuel production presents the opportunity to fine-tune microbial metabolic machinery for an optimal blend of biomass constituents and desired fuel molecules. Genome-scale model-driven algal metabolic design promises to facilitate both goals by directing the utilization of metabolites in the complex, interconnected metabolic networks to optimize production of the compounds of interest. Using Chlamydomonas reinhardtii as a model, we developed a systems-level methodology bridging metabolic network reconstruction with annotation and experimental verification of enzyme encoding open reading frames. We reconstructed a genome-scale metabolic network for this alga and devised a novel light-modeling approach that enables quantitative growth prediction for a given light source, resolving wavelength and photon flux. We experimentally verified transcripts accounted for in the network and physiologically validated model function through simulation and generation of new experimental growth data, providing high confidence in network contents and predictive applications. The network offers insight into algal metabolism and potential for genetic engineering and efficient light source design, a pioneering resource for studying light-driven metabolism and quantitative systems biology. Our approach to generate a predictive metabolic model integrated with cloned open reading frames, provides a cost-effective platform to generate metabolic engineering resources. While the generated resources are specific to algal systems, the approach that we have developed is not specific to algae and can be readily expanded to other microbial systems as well as higher plants and animals.

09 BIOMASS FUELS↗

Na-Montmorillonite Edge Structure and Surface Complexes: An Atomistic Perspective

The edges of montmorillonite (MMT) react strongly with metals and organic matter, but the atomic structure of the edge and its surface complexes are not unambiguous since the experimental isolation of the edge is challenging. In this study, we introduce an atomistic model of a Na MMT edge that is suitable for classical molecular dynamics (MD) simulations, in particular for the B edge, a representative edge surface of 2:1 phyllosilicates. Our model possesses the surface groups identified through density functional theory (DFT) geometry optimizations performed with variation in the structural charge deficit and Mg substitution sites. The edge structure of the classical MD simulations agreed well with previous DFT-based MD simulation results. Our MD simulations revealed an extensive H-bond network stabilizing the Na-MMT edge surface, which required an extensive simulation trajectory. Some Na counter ions formed inner-sphere complexes at two edge sites. The stronger edge site coincided with the exposed vacancy in the dioctahedral sheet; a weaker site was associated with the cleaved hexagonal cavity of the tetrahedral sheet. The six-coordinate Na complexes were not directly associated with the Mg edge site. Our simulations have demonstrated the heterogeneous surface structures, the distribution of edge surface groups, and the reactivity of the MMT edge.

58 GEOSCIENCES↗

Dynamic states of a unidirectional ring of chen oscillators

We study curious dynamical patterns appearing in a network of a unidirectional ring of Chen oscillators coupled to a ‘buffer’ cell. The network has Z{sub 3} exact symmetry group. We simulate the coupled cell systems associated to the two networks and obtain steady-states, rotating waves, quasiperiodic behavior, and chaos. The different patterns appear to arise through a sequence of Hopf, period-doubling and period-halving bifurcations. The network architecture appears to explain some patterns, whereas the properties of the chaotic oscillator may explain others. We use XPPAUT and MATLAB to compute numerically the relevant states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Neural Phase Simulation

The Neural Phase Simulation (NPS) is a package of codes for simulating microstructure evolution and accelerated molecular dynamics with deep neural-networks based surrogate models. NPS is designed to offer quantitatively accurate and computationally efficient simulation capabilities by leveraging modern machine-learning techniques. The primary intended use cases of NPS are training neural network surrogate models, though performing simulations on a single node is also supported. The NPS surrogate models can be trained from ground truth simulation methods, which are supposed to be accurate but expensive, such as molecular dynamics, phase field methods, kinetic Monte Carlo and discrete dislocation dynamics.

Zhou, Fei↗

Probabilistic simulation of quantum circuits using a deep-learning architecture

The fundamental question of how to best simulate quantum systems using conventional computational resources lies at the forefront of condensed matter and quantum computation. It impacts both our understanding of quantum materials and our ability to emulate quantum circuits. Here we present an exact formulation of quantum dynamics via factorized generalized measurements which maps quantum states to probability distributions with the advantage that local unitary dynamics and quantum channels map to local quasistochastic matrices. This representation provides a general framework for using state-of-the-art probabilistic models in machine learning for the simulation of quantum many-body dynamics. Using this framework, we have developed a practical algorithm to simulate quantum circuits using an attention network based on a powerful neural network ansatz responsible for the most recent breakthroughs in natural language processing. We demonstrate our approach by simulating circuits that build Greenberger-Horne-Zeilinger and linear graph states of up to 60 qubits, as well as a variational quantum eigensolver circuit for preparing the ground state of the transverse field Ising model on several system sizes. Our methodology constitutes a modern machine learning approach to the simulation of quantum physics with applicability both to quantum circuits as well as other quantum many-body systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Novel Interfacing Technique for Distributed Hybrid Simulations Combining EMT and Transient Stability Models

With steady increase of power electronic devices and nonlinear dynamic loads in large scale AC/DC systems, the traditional hybrid simulation method, which incorporates these components into a single EMT subsystem and hence causes great difficulty for network partitioning and significant deterioration in simulation efficiency. To resolve these issues, a novel distributed hybrid simulation method is proposed in this paper. The key to realize this method is a distinct interfacing technique, which includes: i) a new approach based on the two-level Schur complement to update the interfaces by taking full consideration of the couplings between different EMT subsystems; and ii) a combined interaction protocol to further improve the efficiency while guaranteeing the simulation accuracy. The advantages of the proposed method in terms of both efficiency and accuracy have been verified by using it for the simulation study of an AC/DC hybrid system including a two-terminal VSC-HVDC and nonlinear dynamic loads.

Distributed hybrid simulation↗