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At least 613 records · Page 34

Materials challenges for quantum technologies based on color centers in diamond

Emerging quantum technologies require precise control over quantum systems of increasing complexity. Defects in diamond, particularly the negatively charged nitrogen-vacancy center, are a promising platform with the potential to enable technologies ranging from ultra-sensitive nanoscale quantum sensors, to quantum repeaters for long distance quantum networks, to simulators of complex dynamical processes in many-body quantum systems, to scalable quantum computers. While these advances are due in large part to the distinct material properties of diamond, the uniqueness of this material also presents difficulties, and there is a growing need for novel materials science techniques for characterization, growth, defect control, and fabrication dedicated to realizing quantum applications with diamond. In this article we identify and discuss the major materials science challenges and opportunities associated with diamond quantum technologies.

36 MATERIALS SCIENCE↗

Plant Cell Biology International Meeting 2022

There is a strong need to develop the knowledge base that will enable the rational design of improved crop species for sustainable agriculture and biomass production. To attain this goal, researchers must learn how plant cells integrate metabolism and cellular dynamics during growth and in response to environmental challenges. Meeting these goals require data sharing and the development and training of faculty, post-doctoral fellows, graduate and undergraduate students in state-of-the-art quantitative integrative cell biology methods. The inaugural Plant Cell Biology International (PCBI) meeting capitalized on the interaction between two well-established plant cell biology communities across the Atlantic, the Midwest Plant Cell Dynamics (PCD) and the European Network for Plant Endomembrane Research (ENPER) and provided a framework to meet these goals. The conference took place in person successfully during August 1-5th 2022 in Crete, Greece. The conference offered opportunities for undergraduate and graduate students, postdocs, young investigators across the globe to present their results and interact across different disciplines. The conference provided an open and inclusive forum for oral presentations that allowed all labs to share research results. It was attended over 80 % by students, postdocs and young investigators. Workshops on best practices for image acquisition and processing pipelines, publication guidelines by scientific journal editors, professional development and well-being benefited the participants at large. Overall, this was the inaugural joint Plant Cell Biology International conference that for the first time officially brought together plant cell biologists to discuss opportunities and challenges in the field to gain a mechanistic understanding of complex biological processes and advance sustainable agriculture. Due to its success, it was rescheduled for 2025 in Crete, to continue strengthening the plant cell biology community and exchanging knowledge and expertise across the globe.

59 BASIC BIOLOGICAL SCIENCES↗

Parallel measurement of transcriptomes and proteomes from same single cells using nanodroplet splitting

Single-cell multiomics provides comprehensive insights into gene regulatory networks, cellular diversity, and temporal dynamics. While tools for co-profiling single-cell genomes, transcriptomes, and epigenomes are available, accessing proteomes in parallel is more challenging. We developed nanoSPLITS (nanodroplet SPlitting for Linked-multimodal Investigations of Trace Samples), an integrated platform that enables global profiling of the transcriptome and proteome from same single cells using RNA sequencing and mass spectrometry-based proteomics, respectively. nanoSPLITS can precisely quantify over 5000 genes, 2000 proteins, and 140 phosphopeptides per single cell and identify candidate cell markers from these modalities. By exploring Cdk1-mediated cell cycle arrest, we demonstrate how nanoSPLITS single-cell multiomics can provide comprehensive cellular characterization with insights into covarying protein/gene clusters, unique phosphorylation events, and mitotic pathways.

59 BASIC BIOLOGICAL SCIENCES↗

Innovation in Radiological Security, Part 1 of 2 – Using a Cloud Solution to Compress the Timely Detection Model

The design and implementation of new security technologies must account for numerous and complex operational challenges. For example, traditionally isolated systems must now survive amid the proliferation of network connectivity and endure the dynamic environments created by organizations tolerating bring-your-own-device policies. When evaluating the cyber, physical, or cyber-physical security of an asset, a common practice in the security industry is to apply the Timely Detection Model (TDM)—a versatile concept that relates the security functions of detection, delay, and response to the progression of an oppositional force’s attack timeline. If implemented correctly, security enhancements can compress the TDM to offer efficiencies to the stakeholders responsible for adjudicating threat scenarios. The efficiencies gained by the response force allow for more effective protection strategies to be realized. One such enhancement, deployed within the radiological security domain—the Sentry-Remote Monitoring System (Sentry-RMS)—is a stand-alone security system that detects, assesses, and communicates priority alarms as a means of thwarting internal and external threats. The SEntry-RMS CommUnications and REsponse (Sentry-SECURE) platform—an optional feature of the Sentry-RMS—is being developed to facilitate more efficient alarm adjudication by site stakeholders and, if necessary, a faster response by law enforcement. This Cloud-hosted platform receives protected information from deployed Sentry-RMS units and relays it to stakeholders that have vested interests in maintaining an elevated level of situational awareness. Operationally, this enables real-time delivery of high-priority alarm and video imagery directly to an identified response stakeholder, such as local law enforcement or site management, via natively developed mobile applications or full platform integration. The Sentry-SECURE platform, as implemented by the U.S. Department of Energy’s Office of Radiological Security, is an example of an innovative security technology that compresses the TDM by (1) enabling a more efficient time to target and (2) better informing a response force’s predetermined tactics, techniques, and procedures. This paper explores the platform’s operational roles, highlights its principal functions, and presents a use case that demonstrates how the platform provides enhanced situational awareness when adjudicating priority alarms.

Sentry-RMS, Timely Detection Model, Sentry-SECURE↗

The weathered bedrock vadose zone: A hidden control on water availability in the western United States (Final Technical Report)

This report summarizes the research completed during the project entitled "The weathered bedrock vadose zone: A hidden control on water availability in the western United States" (Award: DE-SC0018039). The report covers work completed between 9/15/17 and 9/14/20. The objective of the exploratory project work was to evaluate the overarching hypothesis that the subsurface underlying actively eroding landscapes is systematically structured as a result of a balance between weathering and erosion and that this structure leads to dynamic moisture storage within weathered rock. To accomplish project objectives, we characterized hillslope weathering profile structure and conducted subsurface moisture monitoring across four study sites with comparable bedrock types but differing erosion rate and hydroclimate: The Angelo Coast Range Reserve (ACRR), Sagehorn-Russell Ranch (SRR), Antelope Valley Ranch (AVR), and the LBNL Watershed Function Scientific Focus Area (SFA). New characterization and monitoring infrastructure at the AVR and SFA sites was established through this project and enables long-term monitoring of hydrologic and carbon fluxes at the sites for comparison with long-term monitoring in other sites. Deep drilling, downhole logging, and characterization of chemistry and porosity of rock recovered from drilling reveals two weathering fronts across the sites. A shallower front is marked by the extent of pervasive fracturing and oxidation of pyrite and organic carbon. A deeper weathering front is marked by the appearance of open fractures and discoloration. At the AVR site, multiple ridge tops of different hillslope length were investigated to establish the relationship between the weathering front and topography. Drilling reveals that the fraction of the hillslope relief that is weathered scales with hillslope length, consistent with the theoretical framework that guided the project relating groundwater drainage with landscape evolution. With the establishment of new boreholes, we have documented significant water storage in weathered bedrock using low-field borehole nuclear magnetic resonance (NMR) across all four sites. In the upper 4 m of bedrock, the average water contents at ACRR, AVR, SRR, and SFA are approximately 25%, 16%, 25%, 23% respectively. At the ACRR site, where long-term monitoring via neutron probe surveys and time-domain transmission sensors are available, we have demonstrated that NMR reliably records moisture content and importantly, moisture content dynamics in weathered bedrock. Across all sites, our NMR monitoring has also revealed that a considerable fraction of the water storage occurs in fractures or pores that are significantly larger than the fine-grained bedrock matrix of the parent rock. To identify the proportion of water storage occurring in fractures and large pores, we analyzed the NMR signal by evaluating both the sum of echoes and an inversion of the NMR signal for a distribution of T2 relaxation times. Both methods reveal that at least 20% of the water storage occurs in fractures and larger pores across all sites. To constrain the interpretation of the in-situ field-scale NMR measurements, we compare the NMR response in the field to independent pore-structure information obtained via helium pycnometry. Results support the inference that dynamic seasonal water storage is dominantly restricted to the fracture network, which can reach 7% of the total volume. This dynamic range in water content is comparable to that of some soils, underscoring the need to understand how this region of the Earth System is structured, and functions as a hydrologic reservoir.

58 GEOSCIENCES↗

Operating-Envelopes-Aware Decentralized Welfare Maximization for Energy Communities: Preprint

We propose an operating-envelope-aware, prosumer-centric, and efficient energy community that aggregates individual and shared community distributed energy resources downstream of a regulated distribution system operator's (DSO) net energy metering revenue meter. Due to the elevated risk of grid constraint violations and to ensure safe network operation, the DSO imposes dynamic export and import limits, known as dynamic operating envelopes, on end-users' revenue meters. Given the operating envelopes, the proposed community market mechanism maximizes the community's social welfare in a decentralized fashion while every community member abides by its own operating envelopes. We show that the proposed market mechanism conforms with the cost-causation principle and guarantees community members a surplus level no less than their maximum surplus when they autonomously face the DSO. Lastly, a numerical study is implemented to showcase and compare the community's welfare under the proposed operating-envelopes-aware mechanisms to others, including the welfare of customers under the DSO's regime.

distributed energy resources aggregation↗

pnnl/glad

The Graph-based Learning of Aerosol Dynamics (GLAD) package implements a Graph Network-based Simulator (GNS), a machine learning framework that has been used to simulate particle-based fluid dynamics models

Smith, Ian [@pnnl]↗

Multi-scale Coupled Processes Modeling of Fractures as Porous, Interfacial and Granular Systems from Rock Images with the Numerical Manifold Method

Abstract The greatest challenges of rigorously modeling coupled hydro-mechanical processes in fractured rocks at different scales are associated with computational geometry. In addition, selections of continuous or discontinuous models, physical laws, and coupling priorities at different scales based on different geometric features determine the applicability of a numerical model for a certain type of problem. In this study, we present our multi-scale modeling capabilities that have been developed based on the numerical manifold method for analyzing coupled hydro-mechanical processes in fractured rocks. Based on their geometric features, the fractures are modeled as continua—finite-thickness porous zones, and discontinua—discontinuous interfaces and microscale asperities and granular systems. Different governing equations, physical laws, coupling priorities, and approaches for addressing fracture intersections and shearing are then applied to describe these. We applied these models to simulate coupled processes in fractured rocks using realistic geometry obtained from rock images at different scales. We first calculated shearing of a single fracture with different models and demonstrated the impacts of asperities on shearing. We then applied the continuous and discontinuous models to simulate a network of rough fractures, demonstrating that contact dynamics contribute significantly to the geometric, multi-physical evolution of systems where rough fractures are not mineral filled. For a discrete fracture network, our coupled processes modeling demonstrates that shearing of the discrete fractures can have a major impact on stress and pore pressure distribution. Lastly, we applied the discontinuous granular model to simulate evolution of a complex granular system with a deformation band, demonstrating that the deformation band can dominate contact dynamics, the structural and the stress evolution of the granular system.

58 GEOSCIENCES↗

Highly disordered amorphous Li-battery electrolytes

"Medium-entropy" highly disordered amorphous Li garnets, with ≥4 unique local bonding units (LBUs), hold promise for use as solid-state electrolytes in hybrid or all-solid-state batteries owing to their grain-boundary-free nature and low-temperature synthesis requirement. Through this work, we resolved the local structure of amorphous Li garnet and understood their implication for Li dynamics. These medium-entropy amorphous structures possess unique characteristics with edge- and face-sharing LBUs, not conforming to the classic Zachariasen glass formation rules, and can be synthesized in a wide but processing-friendly temperature range (<680°C). Within these amorphous structures, Li and Zr are identified as the network formers and La as network modifier, with maxima in Li dynamics observed for smaller Li-O and Zr-O coordination; this structure understanding serves as a baseline for identifying additional network formers to further modulate Li transport. In conclusion, our insight provides fundamental guidelines for the structure and phase design for amorphous Li garnets and paves the way for their integration in next-generation batteries.

25 ENERGY STORAGE↗

The Transactive Energy Network Template Metamodel

While transactive energy, which is defined as an allocation of electricity based on dynamically discovered values or prices, has been extensively studied, its uptake and use has been slow. This report describes a tool, the transactive network template, which should hasten the creation and uptake of transactive energy networks. Some basic principles of transactive energy are familiar from existing wholesale electricity markets. Locational prices are calculated today for zones within bulk electric transmission systems. Locational prices differ while accounting for the locational costs of electricity generation and the losses and constraints incurred when electricity is transmitted from generators and distributed to consumers. A transactive energy network might include these transmission zones. However, current research strives to apply transactive energy also in electricity distribution circuits, buildings, and even for individual generating and consuming devices. At the same time, researchers explore how to apply transactive energy in real time during increasingly shorter time intervals. Automated computational agents become necessary as transactive energy becomes applied to smaller circuit zones and at faster dynamic timescales. A transactive energy network is an example of a multi-agent system. Each zone in the network is represented by its transactive agent, which makes decisions for and acts on behalf of a business entity that is responsible for and manages one of the circuit regions. A transactive energy network is also an example of a decentralized, distributed control system. Control decisions and responsibilities are distributed among the network’s transactive agents. The transactive agents are independent; that is, there typically is no centralized authority or oversight function. Instead, transactive agents exchange transactive signals and thereby negotiate the prices and quantities of electricity that they will exchange. Initially, the circuit regions and responsibilities of transactive agents appear to be very dissimilar. Each circuit region may comprise transmission, distribution, or building-level circuits. Each has a unique position and electrical connectivity within the transactive energy network. Each possesses unique assets that either generate or consume electricity, and these (e.g., renewable energy generator, diesel generator, aggregate utility load, building load, space conditioning, refrigerator, etc.) may further differ in their price flexibility and in their strategies for responding to dynamic electricity prices. Given such diversity, an implementer’s first inclination might be to start from scratch to define all these devices and to engineer their seemingly unique interactions. Given that each implementer’s perspective may be narrow within a transactive energy network, it is unlikely that uniquely engineered systems would interact well. This is where the transactive network template is applicable. The transactive network template is a metamodel that has been developed to guide implementers as they configure their own transactive agent within a network of such agents. The object-oriented design of the transactive network template provides basic code object types that may be used and extended by implementers to represent each of the assets in their circuit region. These objects further facilitate the transactive agent’s necessary computations, which are divided among responsibilities to schedule power usage, balance electric supply and demand, and coordinate the exchange of electricity with the other transactive agents. This report addresses the conceptual transactive network template design. Implementers are directed to more formal design documents and reference implementations. A Python™-based1 reference implementation of the transactive network template has been coded, and three implementations have been configured to represent a national laboratory and two university campuses. Version 2 of the transactive node template generalizes the market class and its methods to facilitate multiple, and more diverse market coordination mechanisms than were facilitated by and demonstrated using Version 1. Version 3 includes new Appendix B, which addresses the designs of methods that would make dynamic prices track approved electricity rates. In the future, the author wishes to make the transactive network template more generally applicable to networks that require more accurate power flow. Development of the transactive network template is jointly funded by the U.S. Department of Energy (DOE) Energy Efficiency and Renewable Energy and the DOE Office of Electricity. In late 2015, one of the first projects to be funded by the DOE Grid Laboratory Modernization Laboratory Consortium was the Clean Energy and Transactive Campus project, led by Pacific Northwest National Laboratory. DOE funds were matched by an investment by the Washington Department of Commerce through its Clean Energy Fund. The transactive network template was developed to guide the implementation of transactive energy networks within this project’s scope.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Creating an Advanced Sensor Network to calculate real-time, mass-weighted flue gas composition and air heater leakage of a coal-fired utility boiler under dynamic operating conditions

Utilization of renewable energy sources to minimize the environmental impact of energy production has changed the way utility boilers operate, requiring frequent load cycling between full load and partial loads as low as 30%. Dynamic operation of coal-fired utility boilers significantly reduces boiler efficiency when compared to steady state at full load. Data-driven plant optimization has shown success with coal-fired utility boilers under dynamic operating conditions. The purpose of this work was to create an Advanced Sensor Network (ASN) to provide more extensive real-time data to inform dynamic plant optimization of Net Unit Heat Rate (NUHR). The ASN consists of gas sampling grids in the convective pass of the boiler and downstream of the air heater. These sampling grids allow for quantification of spatial variation of flue gas within the boiler and calculation of mass-weighted composition of flue gas through the combination of composition, velocity, and temperature measurements. The comparison of O 2 between the inlet and outlet of the air heater is used to calculate air leakage in real time. Flue gas composition and air heater leakage are both important factors in boiler efficiency and NUHR. Further, the results of this work support the value of mass-weighted averages for determining flue gas composition accurately. The measurements from the ASN show increased composition stratification during dynamic operation, with an average standard deviation 38% higher than observed during steady-state operation. Air heater leakage was also observed to increase from 2.8% to 5.1% following a load change. Prior to the installation of the ASN, these data would not have been available for dynamic control. These real-time data will be leveraged to calculate and optimize for NUHR during dynamic operation in future work.

42 ENGINEERING↗

Reinforcement Learning‐Based Adaptation of Grid Following Inverter's Internal Controller to Networked Microgrids' Strengths

The varying topological configurations, generator commitments and dispatches, and dynamic load demand lead to changing system's strengths during the operations of networked microgrids. When the system's strengths significantly change, the fixed control gains at large devices may result in unsatisfactory system performance; this necessitates the tuning of the control gains at large devices to adapt to the changing system's strengths. In this paper, observer-based reinforcement learning (RL) is utilised to automatically tune the proportional-integral (PI) gains of phase lock loop (PLL) controller of grid-following (GFL) inverters to adapt to the changing strengths of microgrids and networked microgrids. The RL agent in this framework augments an observer predicting system's strengths, from which the RL control policy will adjust accordingly to tune the PLL controller's gains towards the system's strengths. Also, to enhance the control performance, the recently introduced Barrier function-based RL framework is leveraged for the design of reward function to prevent the high frequency nadir. An operational 26 kV electric distribution system, which is modelled as networked microgrids, is used to illustrate the need and effectiveness of the proposed RL-tuned control.

frequency response↗

Learning subgrid-scale models with neural ordinary differential equations

We propose a new approach to learning the subgrid-scale model when simulating partial differential equations (PDEs) solved by the method of lines and their representation in chaotic ordinary differential equations, based on neural ordinary differential equations (NODEs). Solving systems with fine temporal and spatial grid scales is an ongoing computational challenge, and closure models are generally difficult to tune. Machine learning approaches have increased the accuracy and efficiency of computational fluid dynamics solvers. In this approach neural networks are used to learn the coarse- to fine-grid map, which can be viewed as subgrid-scale parameterization. We propose a strategy that uses the NODE and partial knowledge to learn the source dynamics at a continuous level. Our method inherits the advantages of NODEs and can be used to parameterize subgrid scales, approximate coupling operators, and improve the efficiency of low-order solvers. Numerical results with the two-scale Lorenz 96 ODE, the convection-diffusion PDE, and the viscous Burgers' PDE are used to illustrate this approach.

97 MATHEMATICS AND COMPUTING↗

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↗

Social network structure and the spread of complex contagions from a population genetics perspective

Ideas, behaviors, and opinions spread through social networks. If the probability of spreading to a new individual is a non-linear function of the fraction of the individuals’ affected neighbors, such a spreading process becomes a “complex contagion”. This non-linearity does not typically appear with physically spreading infections, but instead can emerge when the concept that is spreading is subject to game theoretical considerations (e.g. for choices of strategy or behavior) or psychological effects such as social reinforcement and other forms of peer influence (e.g. for ideas, preferences, or opinions). Here we study how the stochastic dynamics of such complex contagions are affected by the underlying network structure. Motivated by simulations of complex contagions on real social networks, we present a framework for analyzing the statistics of contagions with arbitrary non-linear adoption probabilities based on the mathematical tools of population genetics. The central idea is to use an effective lower-dimensional diffusion process to approximate the statistics of the contagion. This leads to a tradeoff between the effects of ”selection” (microscopic tendencies for an idea to spread or die out), random drift, and network structure. Our framework illustrates intuitively several key properties of complex contagions: stronger community structure and network sparsity can significantly enhance the spread, while broad degree distributions dampen the effect of selection compared to random drift. Finally, we show that some structural features can exhibit critical values that demarcate regimes where global contagions become possible for networks of arbitrary size. Our results draw parallels between the competition of genes in a population and memes in a world of minds and ideas. Our tools provide insight into the spread of information, behaviors, and ideas via social influence, and highlight the role of macroscopic network structure in determining their fate.

59 BASIC BIOLOGICAL SCIENCES↗

Photothermally Activated Artificial Neuromorphic Synapses

Biological nervous systems rely on the coordination of billions of neurons with complex, dynamic connectivity to enable the ability to process information and form memories. In turn, artificial intelligence and neuromorphic computing platforms have sought to mimic biological cognition through software-based neural networks and hardware demonstrations utilizing memristive circuitry with fixed dynamics. Here, to incorporate the advantages of tunable dynamic software implementations of neural networks into hardware, we develop a proof-of-concept artificial synapse with adaptable resistivity. This synapse leverages the photothermally induced local phase transition of VO 2 thin films by temporally modulated laser pulses. Such a process quickly modifies the conductivity of the film site-selectively by a factor of 500 to “activate” these neurons and store “memory” by applying varying bias voltages to induce self-sustained Joule heating between electrodes after activation with a laser. These synapses are demonstrated to undergo a complete heating and cooling cycle in less than 120 ns.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dynamic Model of Back-to-Back Converter for System Level Phasor Simulation

The power system is expected to evolve rapidly with increasing deployment of power electronic interface and conditioning systems, microgrids, and hybrid AC/DC grids. Among power electronic systems, back-to-back (BTB) converters can be a powerful interface to integrate microgrids and networked microgrids. However, in system level dynamic simulations for synchronous machine dominated system with BTB converters, a detailed electromagnetic sinusoidal models is not warranted as these simulations are focused on electromechanical transients. This paper focus on developing a simple phasor model for back- to-back converters that can be easily integrated into powerflow solvers to facilitate large-scale power system simulations. The model is implemented using C++ language and integrated into GridLAB-D software as a potential new capability. The GridLAB-D phasor domain model is validated against the electromagnetic transient (EMT) simulation of the detailed switching model. Simulation results show that the phasor model successfully captures the dominant dynamics of the converters.

Mahmood, Hisham↗

Short-term load demand forecasting through rich features based on recurrent neural networks

With the emerging penetration of renewables and dynamic loads, the understanding of grid edge loading conditions becomes increasingly substantial. Load modelling researches commonly consist of explicitly expressed load models and non-explicitly expressed techniques, of which artificial intelligence approaches turn out to be the major path. This paper reveals the artificial intelligence-based load modelling technique to enhance the knowledge of current and future load information considering geographical and weather dependencies. This paper presents a recurrent neural network based sequence to sequence (Seq2Seq) model to forecast the short-term power loads. Also, a feature attention mechanism, which is along channel and time directions, is developed to improve the efficiency of feature learning. The experiments over three publicly available datasets demonstrate the accuracy and effectiveness of the proposed model.

24 POWER TRANSMISSION AND DISTRIBUTION↗