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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 145 records · Page 8

Evolving data standards for cryo-EM structures

Electron cryo-microscopy (cryo-EM) is increasingly being used to determine 3D structures of a broad spectrum of biological specimens from molecules to cells. Anticipating this progress in the early 2000s, an international collaboration of scientists with expertise in both cryo-EM and structure data archiving was established (EMDataResource, previously known as EMDataBank). The major goals of the collaboration have been twofold: to develop the necessary infrastructure for archiving cryo-EM-derived density maps and models, and to promote development of cryo-EM structure validation standards. We describe how cryo-EM data archiving and validation have been developed and jointly coordinated for the Electron Microscopy Data Bank and Protein Data Bank archives over the past two decades, as well as the impact of evolving technology on data standards. Just as for X-ray crystallography and nuclear magnetic resonance, engaging the scientific community via workshops and challenging activities has played a central role in developing recommendations and requirements for the cryo-EM structure data archives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Charge density wave activated excitons in TiSe 2 –MoSe 2 heterostructures

Layered materials enable the assembly of a new class of heterostructures where lattice-matching is no longer a requirement. Interfaces in these heterostructures therefore become a fertile ground for unexplored physics as dissimilar phenomena can be coupled via proximity effects. In this article, we identify an unexpected photoluminescence (PL) peak when MoSe 2 interacts with TiSe 2 . A series of temperature-dependent and spatially resolved PL measurements reveal that this peak is unique to the TiSe 2 –MoSe 2 interface, is higher in energy compared to the neutral exciton, and exhibits exciton-like characteristics. The feature disappears at the TiSe 2 charge density wave transition, suggesting that the density wave plays an important role in the formation of this new exciton. We present several plausible scenarios regarding the origin of this peak that individually capture some aspects of our observations but cannot fully explain this feature. These results therefore represent a fresh challenge for the theoretical community and provide a fascinating way to engineer excitons through interactions with charge density waves.

36 MATERIALS SCIENCE↗

Fast External Quantum Efficiency Measurements of Photovoltaic Modules

The external quantum efficiency (EQE) or associated spectral response is widely used to evaluate the performance of photovoltaics, light emitting diodes, photodetectors, photodiodes, semiconductor lasers, laser-induced refrigeration of solids etc. For photovoltaic (PV) devices, The EQE is used to determine the spectral mismatch correction that is used to convert a performance measurement from a non-ideal simulator spectrum to a standard spectrum in PV device calibrations. Moreover, EQE can provide important insight into the physics of a PV device. For instance, the EQE shape can be used to infer mechanisms limiting the performance of the device. However, EQE measurements of full-size PV modules remain a challenge in the PV community due to rare availability of reliable module QE measurement tools worldwide and the size and complexity of module architecture that comprises several cells connected in strings (series or/and parallel). Here, we use a customized nondestructive tool made of high-power light emitting diodes to perform high-throughput EQE measurements on PV modules. Circuit simulations show that the measurement system can safely be used to measure both crystalline silicon and thin film-based PV modules with series connected cells without the risk of damage through reverse bias. In addition, EQE mapping combined with electroluminescence show a strong correlation and provide a way to determine both spatial non-uniformity of the spectral response and defects/degradation effects across the module.

PV module↗

SPANet: Generalized permutationless set assignment for particle physics using symmetry preserving attention

The creation of unstable heavy particles at the Large Hadron Collider is the most direct way to address some of the deepest open questions in physics. Collisions typically produce variable-size sets of observed particles which have inherent ambiguities complicating the assignment of observed particles to the decay products of the heavy particles. Current strategies for tackling these challenges in the physics community ignore the physical symmetries of the decay products and consider all possible assignment permutations and do not scale to complex configurations. Attention based deep learning methods for sequence modelling have achieved state-of-the-art performance in natural language processing, but they lack built-in mechanisms to deal with the unique symmetries found in physical set-assignment problems. We introduce a novel method for constructing symmetry-preserving attention networks which reflect the problem's natural invariances to efficiently find assignments without evaluating all permutations. This general approach is applicable to arbitrarily complex configurations and significantly outperforms current methods, improving reconstruction efficiency between 19% - 35% on typical benchmark problems while decreasing inference time by two to five orders of magnitude on the most complex events, making many important and previously intractable cases tractable. A full code repository containing a general library, the specific configuration used, and a complete dataset release, are available at https://github.com/Alexanders101/SPANet

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Environmental sustainability in basic research: a perspective from HECAP+

The climate crisis and the degradation of the world's ecosystems require humanity to take immediate action. The international scientific community has a responsibility to limit the negative environmental impacts of basic research. The HECAP+ communities (High Energy Physics, Cosmology, Astroparticle Physics, and Hadron and Nuclear Physics) make use of common and similar experimental infrastructure, such as accelerators and observatories, and rely similarly on the processing of big data. Our communities therefore face similar challenges to improving the sustainability of our research. This document aims to reflect on the environmental impacts of our work practices and research infrastructure, to highlight best practice, to make recommendations for positive changes, and to identify the opportunities and challenges that such changes present for wider aspects of social responsibility.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Neutrino-Nucleus Interactions in the Precision Era

Current and future accelerator-based neutrino facilities, leveraging intense neutrino beams and advanced detectors, aim to precisely determine neutrino properties and probe signals of weakly interacting beyond the Standard Model physics. Achieving discovery-level precision and fully exploring the physics potential of these experiments critically depends on the accuracy of our understanding of fundamental underlying neutrino-nucleus interaction processes. This talk will focus on neutrino interactions spanning energies from tens of MeV to a few GeV—a complex, multi-scale and multi-process domain spanning from low-energy nuclear physics to perturbative QCD, with no unified underlying framework currently known. In this seminar, I will provide an overview of the field, discuss recent advancements, and share examples of ongoing cross-community efforts addressing these challenges.

Pandey, Vishvas [Fermilab]↗

Game Theory Approaches for System-level Incentive Design

This report presents a generalized Stackelberg game framework for designing and evaluating financial incentives that enhance power system resilience through strategic deployment of distributed energy resources(DERs) under various contingencies. The proposed approach addresses the challenge of coordinating individual community investment decisions to meet system-wide resilience objectives. The framework is demonstrated in a three-community test system subjected to two transmission contingency scenarios: inter-community line failure (Case 1) and complete main grid disconnection (Case 2). In both cases, three incentive levels are compared: a Base case with no financial incentives, and low and high incentive cases. In Case 1, the Base case (no incentives) results in a total installed DER capacity of 217.2 MW, with no load shedding due to alternative routing, but community costs remain high. Increasing incentives raises DER deployment to 286.9 MW, lowers aggregate community costs by $22M annually, and completely avoids the need for costly new transmission line construction. In Case 2, the Base case results in 24.3 MWh of unserved load; introducing incentives eliminates all load shedding and ensures up to 89 MWh of battery storage is available for emergency reserve. These results demonstrate that targeted incentives can dramatically improve grid resilience and cost-effectiveness. The framework thus offers policymakers and system planners a robust tool to quantify and compare the effectiveness of incentive programs for multi-community transmission networks behavior, system resilience, and economic efficiency.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Neutrino-Nucleus Interactions in the Precision Era

Current and future accelerator-based neutrino facilities, leveraging intense neutrino beams and advanced detectors, aim to precisely determine neutrino properties and probe signals of weakly interacting beyond the Standard Model physics. Achieving discovery-level precision and fully exploring the physics potential of these experiments critically depends on the accuracy of our understanding of fundamental underlying neutrino-nucleus interaction processes. This talk will focus on neutrino interactions spanning energies from tens of MeV to a few GeV a complex, multi-scale and multi-process domain spanning from low-energy nuclear physics to perturbative QCD, with no unified underlying framework currently known. In this talk, I will provide an overview of the field, discuss recent advancements, and share examples of ongoing cross-community efforts addressing these challenges.

Pandey, Vishvas [Fermilab] (ORCID:0000000230827987↗

Editorial: Visualizing offline and live data with AI (VOLDA) workshop first edition Princeton 11-13th June 2024

The first edition of the Visualizing Offline and Live Data with AI’ (VOLDA) Workshop took place at the Princeton University Campus, Mader Hall from 11 to 13 June 2024. This annual workshop held for the first time aims at bringing together the fusion community to discuss the challenges brought by Artificial Intelligence (AI) and visualizing large datasets in fusion experiment and simulation.

artificial intelligence↗

Transformative Technology for FLASH Radiation Therapy

The general concept of radiation therapy used in conventional cancer treatment is to increase the therapeutic index by creating a physical dose differential between tumors and normal tissues through precision dose targeting, image guidance, and radiation beams that deliver a radiation dose with high conformality, e.g., protons and ions. However, the treatment and cure are still limited by normal tissue radiation toxicity, with the corresponding side effects. A fundamentally different paradigm for increasing the therapeutic index of radiation therapy has emerged recently, supported by preclinical research, and based on the FLASH radiation effect. FLASH radiation therapy (FLASH-RT) is an ultra-high-dose-rate delivery of a therapeutic radiation dose within a fraction of a second. Experimental studies have shown that normal tissues seem to be universally spared at these high dose rates, whereas tumors are not. While dose delivery conditions to achieve a FLASH effect are not yet fully characterized, it is currently estimated that doses delivered in less than 200 ms produce normal-tissue-sparing effects, yet effectively kill tumor cells. Despite a great opportunity, there are many technical challenges for the accelerator community to create the required dose rates with novel compact accelerators to ensure the safe delivery of FLASH radiation beams.

43 PARTICLE ACCELERATORS↗

Radio Afterglow Detection and AI-driven Response (RADAR): A Federated Framework for Gravitational-wave Event Follow-up

The landmark detection of both gravitational waves (GWs) and electromagnetic (EM) radiation from the binary neutron star merger GW170817 has spurred efforts to streamline the follow-up of GW alerts in current and future observing runs of ground-based GW detectors. Within this context, the radio band of the EM spectrum presents unique challenges. Sensitive radio facilities capable of detecting the faint radio afterglow seen in GW170817, and with sufficient angular resolution, have small fields of view compared to typical GW localization areas. Additionally, theoretical models predict that the radio emission from binary neutron star mergers can evolve over weeks to years, necessitating long-term monitoring to probe the physics of the various postmerger ejecta components. These constraints, combined with limited radio observing resources, make the development of more coordinated follow-up strategies essential—especially as the next generation of GW detectors promises a dramatic increase in detection rates. Here, we present RADAR, a framework designed to address these challenges by promoting community-driven information sharing, federated data analysis, and system resilience, while integrating AI methods for both GW signal identification and radio data aggregation. We show that it is possible to preserve data rights while sharing models that can help design and/or update follow-up strategies. We demonstrate our approach through a case study of GW170817, and discuss future directions for refinement and broader application.

Gravitational waves↗

Transformative Technology for FLASH Radiation Therapy: A Snowmass 2021 White Paper

Conventional cancer therapies include surgery, radiation therapy, chemotherapy, and, more recently, immunotherapy. These modalities are often combined to improve the therapeutic index. The general concept of radiation therapy is to increase the therapeutic index by creating a physical dose differential between tumors and normal tissues through precision dose targeting, image guidance, and high radiation beams that deliver radiation dose with high conformality, e.g., protons and ions. However, treatment and cure are still limited by normal tissue radiation toxicity, with many patients experiencing acute and long-term side effects. Recently, however, a fundamentally different paradigm for increasing the therapeutic index of radiation therapy has emerged, supported by preclinical research, and based on the FLASH radiation effect. FLASH radiation therapy (FLASH-RT) is an ultra-high dose-rate delivery of a therapeutic radiation dose within a fraction of a second. Experimental studies have shown that normal tissues seem to be universally spared at these high dose rates, whereas tumors are not. The dose delivery conditions are not yet fully characterized. Still, it is currently estimated that large doses of 10 Gy or more delivered in 200 ms or less produce normal tissue sparing effects yet effectively kill tumor cells. There is a great opportunity, but also many technical challenges, for the accelerator community to create the required dose rates with novel and compact accelerators to ensure the safe delivery of FLASH radiation beams.

43 PARTICLE ACCELERATORS↗

Graduating Sustainable Industrial Decarbonization Solutions from the Laboratory to Real-World Deployments

Accelerating innovation and integration of industrial decarbonization technology solutions is crucial for achieving industry-wide net-zero greenhouse gas emissions targets. This can be accomplished in various ways through increased utilization of low-embodied carbon materials and the adoption of advanced manufacturing techniques in construction practices. At the National Renewable Energy Laboratory (NREL), we facilitate dialogue and action across all sectors to uncover industry needs to inform innovation, and explore ways we can help with implementation of emerging solutions in the real world. As an applied laboratory, NREL sits between academia and industry to fully bridge the gap from foundational science research to examining the feasibility of market applications. Integration of innovative technologies and solutions that are efficient, resilient, and grid-interactive will play a pivotal role in supporting a clean energy future. However, it is imperative that these solutions prioritize equitable outcomes, addressing the challenges faced by all communities. By embracing decarbonization, the construction industry can revolutionize itself, promoting sustainability, reducing carbon emissions, conserving resources, while enhancing performance and durability - all major steps toward a greener and more sustainable future.

cement↗

Laser-Induced Breakdown Spectroscopy (LIBS) Sensing for Environmental and Subsurface Monitoring

Groundwater monitoring is essential to timely and accurately reflect the current situations and the trends of water quality. However, the long-term stability and survival of any potential in-situ monitoring method is threatened by the harsh conditions and the groundwater monitoring in downhole environments poses numerous challenges to the sensor community. Laser induced breakdown spectroscopy (LIBS) has been demonstrated as a promising technology for chemical monitoring in high-temperature high-pressure (HTHP) environments and hard to reach places. The technique demonstrates several advantages, such as rapid, real-time, in-situ, and simultaneous detection of multiple elements with simple or no sample preparation. This chapter includes a brief review of the field-portable LIBS systems, and development of a compact, robust, and simple LIBS instrument for downhole HTHP water quality monitoring. The fieldable prototype sensor is tested in an onsite monitoring well where trace elements’ concentrations are tracked over an extended period. The testing has verified that the fiber coupled design performs as desired. The system shows good calibration linearity for tested elements and collection times, and Limits of Detection (LODs) that are comparable to those of tabletop LIBS instruments. In addition to groundwater quality monitoring, the fabricated LIBS-based sensor could have widespread sub-surface detection applications.

Jain, Jinesh [NETL Site Support Contractor, Nation↗

2019 Community Involvement Report

Sandia National Laboratories is committed to being an informed, compassionate and contributing neighbor in our local communities. This commitment has been demonstrated throughout Sandia's history, and is an enduring part of our future. New Mexico faces many challenges, including one of the highest childhood poverty rates in the United States and one of the lowest educational proficiency rates. Lack of affordable housing and insufficient educational achievement are issues in the Bay Area near our Livermore site. To address the greatest challenges faced in Sandia's communities of Albuquerque, NM, and Livermore, CA, and other remote sites, Sandia's contributions leverage resources in three critical focus areas. In 2019, National Technology and Engineering Solutions of Sandia, contributed $1.4M to our local communities, including $151K in the Livermore area.

99 GENERAL AND MISCELLANEOUS↗

Analysis Facilities for HL-LHC

The HL-LHC presents significant challenges for the HEP analysis community. The number of events in each analysis is expected to increase by an order of magnitude and new techniques are expected to be required; both challenges necessitate new services and approaches for analysis facilities. These services are expected to provide new capabilities, a larger scale, and different access modalities (complementing -- but distinct from -- traditional batch-oriented approaches). To facilitate this transition, the US-LHC community is actively investing in analysis facilities to provide a testbed for those developing new analysis systems and to demonstrate new techniques for service delivery. This whitepaper outlines the existing activities within the US LHC community in this R&D area, the short- to medium-term goals, and the outline of common goals and milestones.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Understanding Community Microgrids

Increasing need for distribution circuit reliability and resilience prompt a clearer understanding of community microgrid interconnection and operational requirements. While customer-owned, behind-the-meter microgrid implementation is not always simple, increasing demand for reliability has commercialized many installation approaches. This rapid commercialization has broadened industry understanding of single-customer microgrid integration. Moreover, off-grid behaviors of such microgrids are not required to meet utility standard interconnection requirements. However, multi-customer community microgrids (utility- or third-party operated), are less well explored and introduce more complex design and operational challenges. The control of DER along with distribution automation devices, unmanned operation, protection coordination, and other aspects makes community microgrids challenging to implement and operate in both on-grid and off-grid modes. This whitepaper is a technical primer for understanding community microgrids. It provides a foundation for understanding the components, configurations, design, and operational considerations for community microgrids.

14 SOLAR ENERGY↗

Exploring temporal community evolution: algorithmic approaches and parallel optimization for dynamic community detection

Abstract Dynamic (temporal) graphs are a convenient mathematical abstraction for many practical complex systems including social contacts, business transactions, and computer communications. Community discovery is an extensively used graph analysis kernel with rich literature for static graphs. However, community discovery in a dynamic setting is challenging for two specific reasons. Firstly, the notion of temporal community lacks a widely accepted formalization, and only limited work exists on understanding how communities emerge over time. Secondly, the added temporal dimension along with the sheer size of modern graph data necessitates new scalable algorithms. In this paper, we investigate how communities evolve over time based on several graph metrics under a temporal formalization. We compare six different algorithmic approaches for dynamic community detection for their quality and runtime. We identify that a vertex-centric (local) optimization method works as efficiently as the classical modularity-based methods. To its advantage, such local computation allows for the efficient design of parallel algorithms without incurring a significant parallel overhead. Based on this insight, we design a shared-memory parallel algorithm DyComPar , which demonstrates between 4 and 18 fold speed-up on a multi-core machine with 20 threads, for several real-world and synthetic graphs from different domains.

97 MATHEMATICS AND COMPUTING↗