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At least 685 records · Page 38

CritView Database Expansion [Slides]

This presentation is intended to provide the audience with the current status of CritView and the recent database expansion.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Expedited Real Time Processing for the NETL HYPER Cyber-Physical System (Final Report)

The primary objective of the proposed project was to provide the National Energy Technology Laboratory’s Hybrid Performance (Hyper) Facility the needed numerical methods algorithm(s), software development and implementation support to enact real time cyber-physical systems (CPSs) that simulate process dynamics on the order of five milliseconds or smaller. The proposed paths forward comprised three distinct approaches to hasten transient simulations. They fell under the numerical methods categorical options of: 1) optimizing key parameters within the facility’s pre-existing real time processing scheme; 2) introducing an “informed” processing approach wherein a priori computations expedite real time attempts; and 3) implementing alternatives to the employed explicit-implicit blended finite difference (spatio-temporal) approach. Each of these three classes were proposed independently as options for improvement, yet in some cases one class of approach could have complemented another.

20 FOSSIL-FUELED POWER PLANTS↗

Unpinning the Lynchpin: Development of a system to introduce redundancy at Department of Energy laboratories

The United States Department of Energy (DOE) laboratory system employs over 78,000 people and had a budget of $8.1 billion for Fiscal Year 2023 (FY23). This diverse workforce includes employees at all levels from operational support staff to senior level management. Together, the labs take on incredibly complex and unique technical challenges in an attempt to address fundamental National and global needs. These technical challenges often require specialized training such that only a single person is truly capable of completing specific tasks. With the modern competitive environment, and an aging workforce, the risk of technical capability loss is highly probable with potentially severe impact. An online survey of Lawrence Livermore National Laboratories (LLNL) employees, a typical DOE lab, found that of responders with greater than 10 years of experience, 100% of respondents felt burnt out, 40% felt they were not paid fairly, and 50% believe that not enough is done by leadership to retain them as an employee. Couple that to an aging workforce, and the risk of losing institutional knowledge due to single point of failure, or lynchpin, is significant. There is a need for a system which reduces the risk of operational and technical losses due to lynchpin employees leaving the organization. A mitigation of this risk would lead to the successful transfer of knowledge from one generation to the next, improving the rate of development and minimizing general risk of mistakes.

99 GENERAL AND MISCELLANEOUS↗

Renewable Energy and Storage Cybersecurity Research (RESCue) Pilot Final Report

The Renewable Energy and Storage Cybersecurity Research (RESCue) project is a collaborative effort aimed at securing the rapidly growing deployment of distributed energy resources (DERs) and transmission-connected hybrid renewable energy systems against escalating cyber threats. This project brings together major original equipment manufacturers (OEMs) of wind, solar, and energy storage, along with major asset owners and DOE National Laboratories, to collectively identify cyber threats, assess risks, and develop robust cybersecurity strategies and solutions. This publication the final report for the first year of the project.

24 POWER TRANSMISSION AND DISTRIBUTION↗

CRCNS US-France Research Proposal: Collaborative Research: Encoding reward expectation in Drosophilia

The fruit fly Drosophila melanogaster has been a valuable model for investigating the genetic and neural bases that underlie learning and memory. Early and most current studies use basic behavior conditioning protocols to study learning in controlled laboratory settings. More recently, the ability to transgenically manipulate many of the brain neurons in the fruit fly with exquisite specificity, and the recent knowledge of the synaptic ‘connectome’ of the fruit fly brain, makes these animals almost unique as a comprehensive model for studies of learning, memory and motivated behavior. In fact, the connectome has revealed many types of new connections that had until now been overlooked. Within this context, the thesis of this proposal is that studies of learning and memory will be greatly enhanced by using more sophisticated means for evaluating memory representations, such as have been developed in vertebrates, and combining those studies with information from the connectome guided by computational modelling. We propose to push beyond the boundaries of existing conditioning protocols for fruit flies to investigate more complex memory representations. In particular, we will investigate the function of reinforcement pathways in relation to the absence of expected reinforcement. More specifically, we propose a series of experiments designed to investigate the memory representations in fruit flies when an expected consequence of a Conditioned Stimulus (CS) fails to occur. Although studies have evaluated how this failure can establish extinction memory for the CS, our studies will go beyond studying extinction. Specifically, we predict that in Drosophila when a CS is associated with a failed expectation of an appetitive food reinforcement it will acquire aversive value, and vice versa for a failed expectation of an aversive reinforcer. We combine these studies with manipulations of reinforcement pathways in the CNS inspired from the connectome, iteratively knitted in with established computational models. Intellectual Merit: The concept of reinforcement expectation and incentive contrast have been influential in the development of studies of associative learning in mammals. These questions are particularly challenging to answer in vertebrates because they require exquisite cellular, temporal, and genetic specificity of experimental manipulations. The recent development of work with identified neurons and their connectomes makes the larval and adult fly brains ripe as models for pushing our understanding of neural bases for these higher- order conditioning phenomena. Broader Impacts: Public health: These analyses and the conceptual framework of prediction error processing underlying them have a profound impact on our understanding of reinforcement-related behavior in humans, including monetary rewards and the mnemonic consequences of traumatic experiences, and for pathologies of the dopamine reinforcement system. Educational: This project will provide interdisciplinary training for postdoctoral researchers, Ph.D. and undergraduate students. The PIs will act as co-supervisors or mentors of students working in the different labs via face-to-face and internet-based technologies. We will also work with ASU’s award-winning Ask- A-Biologist program. This is an online science program designed to enrich the learning experiences of students of all ages and to provide classroom material for use by K-12 teachers. We will develop an extension of a game developed under a prior NSF award, and the new game will include modules to teach K-12 students about how insects learn. We will also integrate into the AAB site a program developed by a collaborator (B Gerber) at the Leibniz Institut für Neurobiologie, Magdeburg, and now in use in schools in Germany, to teach K-12 students how to train animals using the fruit fly larval learning paradigm. Underrepresented groups: All PIs will work with their university offices of Academic Diversity and Equal Opportunity for reaching underrepresented students.

59 BASIC BIOLOGICAL SCIENCES↗

Sapphire Substrate Trenching to Advance Superconducting High-Coherence Quantum Devices

Achieving longer coherence times in superconducting qubits is essential for advancing quantum information processing and enabling scalable quantum computing. This work presents an innovative fabrication strategy focused on sapphire trenching of the substrate of superconducting high-coherence quantum devices, developed by the SQMS Nanofabrication Taskforce in collaboration with the materials characterization team. In this talk, we present a method to efficiently and consistently trench into the sapphire substrate, without compromising the surface roughness or profile of the etched sapphire. In the literature, trenching in the substrate has been shown to decrease losses, unwanted coupling and thermal stress. Sapphire’s strong covalent bonds make it harder to etch compared to silicon, yet it is more favorable for high-coherence quantum devices due to its lower dielectric losses. This innovative technique opens new possibilities for superconducting qubit fabrication: we fabricated high coherence qubit chips on sapphire substrates with trenching, to demonstrate that it will help pushing towards higher coherence times. By integrating this work with ongoing junction process optimization, design innovation, materials characterization and exploration, we outline a clear pathway toward transmon coherence times reaching millisecond scales and beyond.

Garattoni, S. [Fermilab]↗

Sapphire Substrate Trenching to Advance Superconducting High-Coherence Quantum Devices

Achieving longer coherence times in superconducting qubits is essential for advancing quantum information processing and enabling scalable quantum computing. This work presents an innovative fabrication strategy focused on sapphire trenching of the substrate of superconducting high-coherence quantum devices, developed by the SQMS Nanofabrication Taskforce in collaboration with the materials characterization team. In this talk, we present a method to efficiently and consistently trench into the sapphire substrate, without compromising the surface roughness or profile of the etched sapphire. In the literature, trenching in the substrate has been shown to decrease losses, unwanted coupling and thermal stress. Sapphire’s strong covalent bonds make it harder to etch compared to silicon, yet it is more favorable for high-coherence quantum devices due to its lower dielectric losses. This innovative technique opens new possibilities for superconducting qubit fabrication: we fabricated high coherence qubit chips on sapphire substrates with trenching, to demonstrate that it will help pushing towards higher coherence times. By integrating this work with ongoing junction process optimization, design innovation, materials characterization and exploration, we outline a clear pathway toward transmon coherence times reaching millisecond scales and beyond.

Garattoni, S. [Fermilab]↗

BETO 2021 Peer Review - Inverse Bioproduct Design Through Machine Learning and Molecular Simulation

This work aims to identify performance advantaged bioproducts (PABPs) through property prediction, which will guide experimental synthesis. The impact of this work will be faster market adoption of bioproducts with greater performance relative to incumbent products. We have identified >106 bioproduct candidates, but only some will have superior performance to create a market pull. High-throughput property prediction, enabled by machine learning, and elucidation of structure-function relationships, enabled by molecular simulation, provide a hypothesis driven approach for down selection of candidate biomolecules to pursue experimentally. To enable machine learning and molecular simulation for bioproduct discovery, automated structure generation and embedding must capture relevant features for prediction, databases must cover domains applicable to biobased products, and best practices for simulation of polymer systems must be developed. To address these challenges, we have established bioproduct relevant datasets, developed high-throughput polymer structure generation, and built end-to-end neural networks that have predicted 8 properties for >1.4 x 106 biopolymers. A molecular simulation pipeline for building, running, and analyzing polymers and polymer additives is being used to predict performance and develop design principles of biobased products. In collaboration with the PABP synthesis project, these computational tools are guiding synthesis and informing design of PABPs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Open-Loop Control of Adjustable Tuned Mass Dampers for Floating Wind Turbine Platforms: Preprint

Floating offshore wind turbines have several advantages over their land-based counterparts, including access to stronger, more consistent winds and proximity to population centers. However, increased costs from the platform have been a challenge inhibiting their widespread adoption. New damping technologies with tunable target frequencies and damping ratios promise a greater degree of control over platform motions, allowing hulls to be designed smaller and reducing the overall cost of the turbines. In this work, a control strategy is proposed for these adjustable tuned mass dampers (TMDs). A frequency-domain model of the system is developed, from which response amplitude operators (RAOs) for the platform's rigid-body modes can be obtained for different natural frequencies and damping ratios of the dampers. Using these RAOs, and JONSWAP spectrums of operational and extreme sea states, the performance of the various damper settings are compared by evaluating the standard deviation of a rigid-body motion of interest (platform pitch or heave). By finding the optimal damper setting for a range of representative design load cases (DLCs), a lookup function is made to return the damper target frequency given the peak period of the sea state. To determine the current sea state, we propose a simple estimator that uses wave measurements (e.g., from a measurement buoy) to determine the peak period and significant wave height. The significant wave height is determined using the statistics of the past 100 seconds of wave elevation information and the peak period is computed using a frequency locked loop. Initial results show that we can use these estimated values to control the TMD natural frequency with an open loop controller. The controlled system is tested in a range of environmental conditions determined by the International Electrotechnical Commission design load cases (DLCs), which include normal and extreme wind and wave models. In these tests, we compare the performance of 4 cases: (1) no TMD, (2) a constant TMD based on the worst case DLC, (3) a controlled TMD based on known wind and wave environments, and (4) a real-time controlled TMD using estimated wind and wave environments. The effect of hull-based TMD control is also compared to changes in traditional wind turbine control via blade pitch.

control↗

The DSA Toolkit Shines Light Into Dark and Stormy Archives

Web archive collections are created with a particular purpose in mind. A curator selects seeds, or original resources, which are then captured by an archiving system and stored as archived web pages, or mementos. The systems that build web archive collections are often configured to revisit the same original resource multiple times. This is incredibly useful for understanding an unfolding news story or the evolution of an organization. Unfortunately, over time, some of these original resources can go off-topic and no longer suit the purpose for which the collection was originally created. They can go off-topic due to web site redesigns, changes in domain ownership, financial issues, hacking, technical problems, or because their content has moved on from the original topic. Even though they are off-topic, the archiving system will still capture them, thus it becomes imperative to anyone performing research on these collections to identify these off-topic mementos. Hence, we present the Off-Topic Memento Toolkit, which allows users to detect off-topic mementos within web archive collections. The mementos identified by this toolkit can then be separately removed from a collection or merely excluded from downstream analysis. The following similarity measures are available: byte count, word count, cosine similarity, Jaccard distance, Sørensen-Dice distance, Simhash using raw text content, Simhash using term frequency, and Latent Semantic Indexing via the gensim library. We document the implementation of each of these similarity measures. We possess a gold standard dataset generated by manual analysis, which contains both off-topic and on-topic mementos. Using this gold standard dataset, we establish a default threshold corresponding to the best F1 score for each measure. We also provide an overview of potential future directions that the toolkit may take.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Optical authentication of images

Systems and methods performed for generating authentication information for an image using optical computing are provided. When a user takes a photo of an object, an optical authentication system receives light reflected and/or emitted from the object. The system also receives a random key from an authentication server. The system converts the received light to plenoptic data and uploads it to the authentication server. In addition, the system generates an optical hash of the received light using the random key, converts the generated optical hash to a digital optical hash, and uploads the digital optical hash to the authentication server. When the authentication server receives the upload, it verifies whether the time of the upload is within a certain threshold time from the sending of the random key and whether the digital optical hash was generated from the same light as the plenoptic data.

97 MATHEMATICS AND COMPUTING↗

Optical authentication of images

Systems and methods performed for generating authentication information for an image using optical computing are provided. When a user takes a photo of an object, an optical authentication system receives light reflected and/or emitted from the object. The system also receives a random key from an authentication server. The system converts the received light to plenoptic data and uploads it to the authentication server. In addition, the system generates an optical hash of the received light using the random key, converts the generated optical hash to a digital optical hash, and uploads the digital optical hash to the authentication server. When the authentication server receives the upload, it verifies whether the time of the upload is within a certain threshold time from the sending of the random key and whether the digital optical hash was generated from the same light as the plenoptic data.

Murialdo, Maxwell R.↗

BIM Interoperability Tool for Improving IFC-based Model Data Exchange Between Architectural Design and Structural Analysis for Linear Piping Components

There is a growing need in the AEC industry for the digitalization of model-based data exchange in BIM workflows. However, users continue to face difficulties exchanging data between BIM-based computer-aided design (CAD) and computer-aided engineering (CAE) software, even with the open, non-proprietary data exchange format called Industry Foundation Classes (IFC). Proposed solutions in academic research focus primarily on building systems, with comparatively little attention to piping models. Therefore, this paper introduces an interoperability tool for enabling piping model data exchange between architectural and structural analysis domains. The tool is tested using a piping model created in Autodesk Revit and shows marked improvement for IFC-based CAD-to-CAE interoperability over existing practice.

97 MATHEMATICS AND COMPUTING↗

A simple solution to the Rietveld refinement recipe problem

Rietveld refinements are widely used for many purposes in the physical sciences. Conducting a Rietveld refinement typically requires expert input because correct results may require that parameters be added to the fit in the proper order. This order will depend on the nature of the data and the initial parameter values. A mechanism for computing the next parameter to add to the refinement is shown. The fitting function is evaluated with the current parameter value set and each parameter incremented and decremented by a small offset. This provides the partial derivatives with respect to each parameter, along with information to discriminate meaningful values from numerical computational errors. The implementation of this mechanism in the open-source GSAS-II program is discussed. This new method is discussed as an important step towards the development of automated Rietveld refinement technology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Regular sensitivity computation avoiding chaotic effects in particle-in-cell plasma methods

Particle-in-cell (PIC) simulation methods are attractive for representing species distribution functions in plasmas. However, as a model, they introduce uncertain parameters, and for quantifying their prediction uncertainty it is useful to be able to assess the sensitivity of a quantity-of-interest (QoI) to these parameters. Such sensitivity information is likewise useful for optimization. However, computing sensitivity for PIC methods is challenging due to the chaotic particle dynamics, and sensitivity techniques remain underdeveloped compared to those for Eulerian discretizations. This challenge is examined from a dual particle–continuum perspective that motivates a new sensitivity discretization. Two routes to sensitivity computation are presented and compared: a direct fully-Lagrangian particle-exact approach provides sensitivities of each particle trajectory, and a new particle-pdf discretization, which is formulated from a continuum perspective but discretized by particles to take the advantages of the same type of Lagrangian particle description leveraged by PIC methods. Since the sensitivity particles in this approach are only indirectly linked to the plasma-PIC particles, they can be positioned and weighted independently for efficiency and accuracy. The corresponding numerical algorithms are presented here in mathematical detail. The advantage of the particle-pdf approach in avoiding the spurious chaotic sensitivity of the particle-exact approach is demonstrated for Debye shielding and sheath configurations. In essence, the continuum perspective makes implicit the distinctness of the particles, which circumvents the Lyapunov instability of the N -body PIC system. The cost of the particle-pdf approach is comparable to the baseline PIC simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Special Topic on High Performance Computing in Chemical Physics

Computational modeling and simulation have become indispensable scientific tools in virtually all areas of chemical, biomolecular, and materials systems research. Computation can provide unique and detailed atomic level information that is difficult or impossible to obtain through analytical theories and experimental investigations. In addition, recent advances in micro-electronics have resulted in computer architectures with unprecedented computational capabilities, from the largest supercomputers to common desktop computers. In conclusion, combined with the development of new computational domain science methodologies and novel programming models and techniques, this has resulted in modeling and simulation resources capable of providing results at or better than experimental chemical accuracy and for systems in increasingly realistic chemical environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗